110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.452806872638
  N      -3.691690     -3.278001      2.098330
  C      -3.755348     -4.170151      0.981116
  C      -2.981395     -5.465076      1.293388
  N      -3.546791     -6.045993      2.503025
  C      -4.779566     -6.760969      2.203473
  C      -5.643094     -6.768772      3.452688
  N      -5.756652     -5.422603      3.973503
  Mo     -4.032073     -4.379169      3.852652
  N      -2.711524     -5.394092      5.034852
  C      -1.801453     -6.132442      4.199451
  C      -2.597859     -6.931152      3.170054
  H      -1.177277     -6.840052      4.757870
  H      -1.102176     -5.459120      3.668166
  H      -3.156499     -7.696502      3.713365
  H      -1.938397     -7.430055      2.444144
  H      -6.611109     -7.211036      3.183288
  H      -5.189662     -7.439066      4.207664
  H      -5.319548     -6.220478      1.425566
  H      -4.573262     -7.780767      1.842424
  H      -3.383612     -3.753024      0.037280
  H      -4.807512     -4.422185      0.811668
  H      -1.937796     -5.206683      1.492246
  H      -3.013627     -6.177394      0.452906
  C       1.508646     -0.043018      1.689624
  C       0.315954     -0.975435      1.892568
  C      -0.627518     -1.120211      0.687147
  C      -1.226814      0.241112      0.312930
  C       0.166899     -1.623309     -0.531344
  C      -1.728603     -2.195381      0.914662
  C      -2.615105     -2.282403      2.187088
  C      -1.785215     -2.704920      3.421209
  C      -3.306661     -0.923378      2.422145
  C      -7.474521     -2.670239      0.859783
  C      -7.350718     -3.858497      1.808582
  C      -8.591722     -4.155456      2.664798
  C      -9.144207     -2.881886      3.316158
  C      -9.710911     -4.720236      1.770468
  C      -8.280764     -5.264476      3.699742
  C      -7.032671     -5.217584      4.645157
  C      -7.269966     -6.324958      5.708798
  C      -7.038952     -3.896560      5.410462
  C      -0.442901     -2.767588      9.992524
  C      -1.126527     -3.353070      8.757737
  C      -0.482649     -4.625685      8.171553
  C      -0.645603     -5.798385      9.139869
  C       1.022476     -4.386337      7.964214
  C      -1.046376     -4.939002      6.760186
  C      -2.469215     -5.507832      6.464582
  C      -3.572631     -4.717422      7.166352
  C      -2.618777     -6.987352      6.892878
  H       1.185447      0.963705      1.439197
  H       2.084549      0.008497      2.612339
  H       2.168513     -0.404126      0.905524
  H       0.700237     -1.963155      2.156727
  H      -0.258001     -0.602291      2.740310
  H      -2.033288      0.118809     -0.407051
  H      -1.614707      0.763535      1.180927
  H      -0.468445      0.870690     -0.147111
  H       0.712884     -2.534048     -0.290514
  H       0.879329     -0.876331     -0.870880
  H      -0.507799     -1.839511     -1.357786
  H      -2.407270     -2.079684      0.065246
  H      -1.237910     -3.167300      0.807485
  H      -1.481302     -1.865564      4.046528
  H      -0.889556     -3.246148      3.122610
  H      -2.427211     -3.387882      4.012156
  H      -4.173251     -1.071997      3.060427
  H      -2.640726     -0.196861      2.880949
  H      -3.667886     -0.527941      1.476615
  H      -6.556560     -2.572021      0.283457
  H      -8.298767     -2.798372      0.160907
  H      -7.624251     -1.743330      1.406349
  H      -6.487929     -3.697078      2.464569
  H      -7.143018     -4.753747      1.215565
  H      -9.666793     -2.282270      2.573831
  H      -9.857498     -3.134483      4.097908
  H      -8.358295     -2.272144      3.746384
  H     -10.582229     -4.976085      2.371033
  H      -9.381203     -5.618028      1.250005
  H     -10.019641     -3.991185      1.025212
  H      -8.229191     -6.200632      3.140060
  H      -9.154466     -5.347495      4.352073
  H      -6.363539     -6.461790      6.295692
  H      -7.533779     -7.277531      5.255962
  H      -8.076601     -6.036105      6.379094
  H      -8.041356     -3.684015      5.771060
  H      -6.377622     -3.968359      6.268970
  H      -6.712543     -3.101033      4.754247
  H      -0.349943     -3.509558     10.781301
  H       0.545117     -2.379684      9.759575
  H      -1.041752     -1.943554     10.377165
  H      -1.143290     -2.583564      7.981408
  H      -2.156672     -3.576813      9.029316
  H      -0.323344     -6.725674      8.672861
  H      -1.678808     -5.906269      9.456922
  H      -0.036139     -5.643006     10.027754
  H       1.486307     -5.258458      7.506601
  H       1.524280     -4.205021      8.910594
  H       1.189798     -3.531148      7.311942
  H      -0.343715     -5.640481      6.303954
  H      -0.978858     -4.012426      6.179085
  H      -3.679883     -5.019361      8.204741
  H      -3.355285     -3.655890      7.124629
  H      -4.499249     -4.925247      6.631994
  H      -3.497404     -7.397120      6.395494
  H      -1.755631     -7.587244      6.614367
  H      -2.760375     -7.081159      7.964312
  N      -5.164401     -2.682503      4.465886
  N      -5.829976     -1.685213      4.826341
  H      -6.656568     -1.550575      4.233640
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.499819070193
  N      -3.647951     -3.211774      2.111529
  C      -3.747866     -4.115389      0.996602
  C      -3.005221     -5.431611      1.308038
  N      -3.580013     -5.995929      2.530982
  C      -4.825360     -6.681561      2.237145
  C      -5.672863     -6.666959      3.481974
  N      -5.778051     -5.321116      4.014547
  Mo     -4.000173     -4.294831      3.874989
  N      -2.709177     -5.348311      5.054216
  C      -1.826544     -6.128294      4.219939
  C      -2.652869     -6.909628      3.202883
  H      -1.223041     -6.851543      4.783028
  H      -1.106834     -5.483385      3.679113
  H      -3.235545     -7.653488      3.753702
  H      -2.011969     -7.435588      2.477994
  H      -6.648777     -7.093447      3.211976
  H      -5.228326     -7.345790      4.235754
  H      -5.357677     -6.134014      1.456441
  H      -4.640502     -7.707714      1.880322
  H      -3.374239     -3.712498      0.046254
  H      -4.809457     -4.341984      0.837151
  H      -1.951803     -5.199895      1.496161
  H      -3.063957     -6.149280      0.471758
  C       1.629727     -0.106458      1.618262
  C       0.415354     -1.008434      1.842137
  C      -0.546341     -1.139851      0.647480
  C      -1.116865      0.234515      0.268511
  C       0.221362     -1.672983     -0.576761
  C      -1.671270     -2.186641      0.897024
  C      -2.543024     -2.239043      2.181276
  C      -1.709508     -2.668349      3.409894
  C      -3.198958     -0.860990      2.414898
  C      -7.646836     -2.490472      1.019354
  C      -7.435190     -3.731156      1.884699
  C      -8.679545     -4.245132      2.630038
  C      -9.424171     -3.102577      3.335261
  C      -9.665342     -4.864440      1.620619
  C      -8.296720     -5.392933      3.601251
  C      -7.122856     -5.283858      4.635012
  C      -7.271312     -6.490339      5.603615
  C      -7.367689     -4.064153      5.493214
  C      -0.339112     -2.740706      9.983247
  C      -1.045559     -3.317356      8.755066
  C      -0.446625     -4.619850      8.182801
  C      -0.648664     -5.775814      9.166984
  C       1.066647     -4.435328      7.969899
  C      -1.024031     -4.930372      6.775036
  C      -2.467538     -5.452598      6.490036
  C      -3.541778     -4.612729      7.185491
  C      -2.667583     -6.921320      6.937071
  H       1.328943      0.909139      1.362357
  H       2.219419     -0.060950      2.535722
  H       2.274036     -0.490095      0.827698
  H       0.778390     -2.005712      2.111012
  H      -0.141151     -0.614105      2.695246
  H      -1.936786      0.126619     -0.443053
  H      -1.483112      0.775487      1.138402
  H      -0.346858      0.843443     -0.206610
  H       0.748938     -2.597716     -0.334313
  H       0.950115     -0.945039     -0.932235
  H      -0.469977     -1.879744     -1.395815
  H      -2.358529     -2.062106      0.053029
  H      -1.204791     -3.173375      0.791973
  H      -1.378359     -1.831565      4.027843
  H      -0.828691     -3.235503      3.106288
  H      -2.359550     -3.333639      4.013999
  H      -4.061071     -0.983900      3.067354
  H      -2.508726     -0.144151      2.860506
  H      -3.564329     -0.463483      1.468025
  H      -6.712220     -2.234996      0.516586
  H      -8.406741     -2.656063      0.253906
  H      -7.943769     -1.633229      1.622682
  H      -6.640340     -3.522259      2.609410
  H      -7.081146     -4.545529      1.241739
  H      -9.973403     -2.507966      2.604011
  H     -10.147902     -3.502296      4.046957
  H      -8.746569     -2.438447      3.865393
  H     -10.535118     -5.271951      2.139766
  H      -9.194710     -5.673136      1.057936
  H     -10.018512     -4.116955      0.909616
  H      -8.097576     -6.270329      2.977439
  H      -9.194241     -5.630105      4.183147
  H      -6.384671     -6.558576      6.236350
  H      -7.387660     -7.434659      5.070583
  H      -8.144289     -6.353603      6.242255
  H      -8.416539     -4.028744      5.788104
  H      -6.761777     -4.113360      6.396379
  H      -7.126542     -3.193636      4.929217
  H      -0.269896     -3.477337     10.783841
  H       0.664324     -2.389266      9.744695
  H      -0.908778     -1.889510     10.360565
  H      -1.037479     -2.555979      7.967297
  H      -2.084969     -3.502222      9.030463
  H      -0.359012     -6.722610      8.710537
  H      -1.687240     -5.845017      9.488315
  H      -0.031127     -5.630850     10.054598
  H       1.500032     -5.330982      7.520925
  H       1.578334     -4.259402      8.915534
  H       1.263513     -3.592152      7.305061
  H      -0.345452     -5.662917      6.325120
  H      -0.925170     -4.012393      6.181401
  H      -3.656023     -4.897833      8.230765
  H      -3.289401     -3.556452      7.129973
  H      -4.480797     -4.792332      6.658368
  H      -3.563667     -7.308252      6.446671
  H      -1.824547     -7.556613      6.663514
  H      -2.809124     -6.996310      8.012816
  N      -4.996322     -2.560531      4.520218
  N      -5.569347     -1.508383      4.873202
  H      -6.400831     -1.304592      4.298254
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.531708250698
  N      -3.634285     -3.237983      2.100932
  C      -3.716303     -4.139270      0.968485
  C      -2.960262     -5.444577      1.268399
  N      -3.543359     -6.025753      2.495784
  C      -4.792824     -6.722400      2.187558
  C      -5.638666     -6.722814      3.429994
  N      -5.765735     -5.367414      3.984237
  Mo     -3.988539     -4.328145      3.862769
  N      -2.700101     -5.377435      5.037345
  C      -1.795367     -6.154407      4.203066
  C      -2.605112     -6.942274      3.178715
  H      -1.188924     -6.871417      4.775603
  H      -1.073551     -5.503183      3.669117
  H      -3.189093     -7.694557      3.722683
  H      -1.955685     -7.461814      2.453549
  H      -6.605501     -7.160893      3.154031
  H      -5.187060     -7.406540      4.177222
  H      -5.328055     -6.173577      1.403893
  H      -4.594218     -7.745430      1.823106
  H      -3.342408     -3.720708      0.022665
  H      -4.777561     -4.379743      0.796207
  H      -1.906781     -5.203887      1.464872
  H      -3.006440     -6.162356      0.427639
  C       1.631150     -0.094895      1.587379
  C       0.418864     -1.004022      1.817890
  C      -0.553055     -1.139608      0.627076
  C      -1.133384      0.236280      0.252402
  C       0.208185     -1.671361     -0.604790
  C      -1.672857     -2.193525      0.885493
  C      -2.531344     -2.243266      2.177911
  C      -1.680554     -2.665412      3.404301
  C      -3.190355     -0.865081      2.420988
  C      -7.666262     -2.451447      1.032059
  C      -7.458637     -3.705391      1.885090
  C      -8.695913     -4.207638      2.659324
  C      -9.400910     -3.052762      3.394753
  C      -9.717703     -4.800682      1.667064
  C      -8.315713     -5.377777      3.614507
  C      -7.118710     -5.309862      4.632994
  C      -7.278878     -6.520227      5.600180
  C      -7.318540     -4.087584      5.514563
  C      -0.424172     -2.703388      9.993119
  C      -1.108024     -3.297996      8.756330
  C      -0.485164     -4.600294      8.199568
  C      -0.686553     -5.754187      9.193132
  C       1.030756     -4.399364      8.002576
  C      -1.042552     -4.926922      6.784290
  C      -2.479104     -5.465356      6.487975
  C      -3.572882     -4.623557      7.164380
  C      -2.668803     -6.934229      6.942987
  H       1.325816      0.926747      1.332328
  H       2.231975     -0.045179      2.504321
  H       2.277434     -0.474737      0.787499
  H       0.787206     -2.005599      2.086398
  H      -0.137436     -0.613208      2.679887
  H      -1.962669      0.125910     -0.457877
  H      -1.500137      0.779638      1.128886
  H      -0.365651      0.853812     -0.229727
  H       0.743634     -2.600390     -0.365954
  H       0.936629     -0.937738     -0.969217
  H      -0.492297     -1.881895     -1.423882
  H      -2.369946     -2.075097      0.042596
  H      -1.200511     -3.182985      0.775977
  H      -1.352134     -1.828212      4.029849
  H      -0.794434     -3.232466      3.095952
  H      -2.316800     -3.339726      4.018800
  H      -4.043454     -0.989798      3.088801
  H      -2.494436     -0.139776      2.861025
  H      -3.570960     -0.464957      1.473562
  H      -6.733766     -2.204993      0.507595
  H      -8.450028     -2.593004      0.276598
  H      -7.935645     -1.587486      1.650895
  H      -6.642337     -3.517246      2.592261
  H      -7.129491     -4.524653      1.226378
  H      -9.957646     -2.434008      2.679971
  H     -10.120548     -3.444757      4.124850
  H      -8.695002     -2.402516      3.920386
  H     -10.588860     -5.199244      2.204625
  H      -9.272356     -5.618253      1.084236
  H     -10.076056     -4.036803      0.965871
  H      -8.155656     -6.255607      2.973173
  H      -9.210350     -5.601976      4.215209
  H      -6.380014     -6.611127      6.223511
  H      -7.429901     -7.468199      5.071910
  H      -8.142794     -6.358776      6.255091
  H      -8.365149     -4.035893      5.834340
  H      -6.690463     -4.153349      6.410422
  H      -7.074050     -3.197575      4.962458
  H      -0.355842     -3.436114     10.806857
  H       0.584949     -2.339998      9.767674
  H      -1.009535     -1.851194     10.360860
  H      -1.100429     -2.540238      7.957831
  H      -2.154889     -3.493440      9.016746
  H      -0.378241     -6.708245      8.747825
  H      -1.734262     -5.836560      9.505175
  H      -0.079463     -5.594737     10.093126
  H       1.482165     -5.298527      7.562801
  H       1.533711     -4.208367      8.957588
  H       1.228842     -3.554162      7.329408
  H      -0.346778     -5.658429      6.345522
  H      -0.944922     -4.008973      6.182767
  H      -3.692689     -4.897843      8.218205
  H      -3.338011     -3.557187      7.098867
  H      -4.515740     -4.813167      6.636452
  H      -3.560445     -7.339199      6.445932
  H      -1.811271     -7.567118      6.682591
  H      -2.820074     -7.001487      8.023978
  N      -4.886168     -2.671426      4.573126
  N      -5.418832     -1.622943      4.950974
  H      -6.257284     -1.360959      4.390231
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.556279807392
  N      -3.635382     -3.251805      2.106130
  C      -3.709310     -4.150547      0.960428
  C      -2.947316     -5.450760      1.246943
  N      -3.535004     -6.043370      2.476716
  C      -4.793075     -6.741888      2.158074
  C      -5.639095     -6.750238      3.400062
  N      -5.765604     -5.391329      3.967914
  Mo     -3.992702     -4.347632      3.865029
  N      -2.706903     -5.393318      5.031072
  C      -1.789917     -6.170443      4.195296
  C      -2.590271     -6.962834      3.166530
  H      -1.182392     -6.882185      4.775650
  H      -1.067248     -5.515722      3.666460
  H      -3.176652     -7.719313      3.704660
  H      -1.937664     -7.478365      2.440293
  H      -6.609656     -7.185146      3.124184
  H      -5.189338     -7.440566      4.142750
  H      -5.324468     -6.186272      1.373954
  H      -4.591980     -7.762412      1.785780
  H      -3.337763     -3.720230      0.018719
  H      -4.770805     -4.395301      0.782357
  H      -1.893467     -5.209192      1.448416
  H      -2.988475     -6.167415      0.403626
  C       1.623169     -0.080130      1.559865
  C       0.414966     -0.993553      1.801823
  C      -0.567814     -1.134134      0.618064
  C      -1.155508      0.241487      0.246428
  C       0.184968     -1.665793     -0.620052
  C      -1.683430     -2.192699      0.886766
  C      -2.530712     -2.241811      2.185812
  C      -1.666913     -2.656664      3.408896
  C      -3.191990     -0.866696      2.439014
  C      -7.651785     -2.454918      1.014572
  C      -7.449002     -3.705615      1.875278
  C      -8.686087     -4.190240      2.665312
  C      -9.369310     -3.019250      3.400287
  C      -9.723370     -4.778107      1.685543
  C      -8.313592     -5.361947      3.624912
  C      -7.112643     -5.309870      4.635095
  C      -7.282453     -6.518720      5.600174
  C      -7.276117     -4.080256      5.524954
  C      -0.465413     -2.687286      9.996690
  C      -1.143057     -3.289265      8.758740
  C      -0.509546     -4.590355      8.205891
  C      -0.704786     -5.743663      9.204453
  C       1.006087     -4.379490      8.010395
  C      -1.062540     -4.924534      6.788756
  C      -2.495179     -5.472444      6.491260
  C      -3.596669     -4.633706      7.162142
  C      -2.677036     -6.941061      6.946525
  H       1.314286      0.943831      1.304883
  H       2.235561     -0.024666      2.471985
  H       2.267004     -0.457361      0.752550
  H       0.787706     -1.996276      2.070165
  H      -0.137154     -0.604683      2.670390
  H      -1.992406      0.128847     -0.459182
  H      -1.519460      0.787734      1.125891
  H      -0.392007      0.863419     -0.243232
  H       0.726123     -2.596054     -0.384896
  H       0.911049     -0.929987     -0.993836
  H      -0.522987     -1.879985     -1.435825
  H      -2.387497     -2.078311      0.046595
  H      -1.207260     -3.182315      0.772856
  H      -1.339655     -1.819382      4.037914
  H      -0.778482     -3.222583      3.096034
  H      -2.287128     -3.336218      4.035209
  H      -4.037215     -0.993587      3.119177
  H      -2.492762     -0.137701      2.874940
  H      -3.584046     -0.462243      1.494875
  H      -6.720797     -2.218943      0.477985
  H      -8.445692     -2.589824      0.264109
  H      -7.907512     -1.580323      1.629959
  H      -6.622965     -3.522585      2.573717
  H      -7.131550     -4.535183      1.219096
  H      -9.924994     -2.394240      2.685732
  H     -10.090216     -3.395485      4.142039
  H      -8.650018     -2.372071      3.918682
  H     -10.597961     -5.164208      2.232779
  H      -9.290758     -5.607235      1.103985
  H     -10.080287     -4.013657      0.979498
  H      -8.172071     -6.246605      2.983429
  H      -9.208111     -5.573141      4.234924
  H      -6.377725     -6.624971      6.217259
  H      -7.456147     -7.468605      5.075996
  H      -8.139758     -6.339799      6.263710
  H      -8.319657     -4.013642      5.860208
  H      -6.634774     -4.153689      6.414579
  H      -7.027077     -3.177062      4.982049
  H      -0.392835     -3.417813     10.816415
  H       0.545320     -2.317260      9.774924
  H      -1.055914     -1.835274     10.364573
  H      -1.140452     -2.533462      7.955045
  H      -2.192148     -3.490800      9.015017
  H      -0.388469     -6.701049      8.764234
  H      -1.754821     -5.835132      9.517230
  H      -0.099543     -5.577113     10.107888
  H       1.465542     -5.279252      7.572833
  H       1.509242     -4.180658      8.967172
  H       1.201810     -3.533074      7.332935
  H      -0.358857     -5.653929      6.352261
  H      -0.968481     -4.006136      6.184020
  H      -3.713031     -4.906300      8.219814
  H      -3.376744     -3.561638      7.094112
  H      -4.544954     -4.825931      6.640788
  H      -3.566654     -7.356529      6.448643
  H      -1.812237     -7.570601      6.689263
  H      -2.829943     -7.006978      8.030157
  N      -4.777339     -2.794164      4.628020
  N      -5.271868     -1.747782      5.038727
  H      -6.113413     -1.430898      4.506015
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.571085923802
  N      -3.636158     -3.271510      2.116517
  C      -3.697009     -4.169066      0.962771
  C      -2.932752     -5.466455      1.241262
  N      -3.528662     -6.066065      2.467595
  C      -4.789920     -6.763658      2.138124
  C      -5.642631     -6.773493      3.376383
  N      -5.769052     -5.412435      3.947038
  Mo     -4.003818     -4.367049      3.872053
  N      -2.721733     -5.405062      5.034801
  C      -1.795127     -6.182543      4.201972
  C      -2.583773     -6.982534      3.168803
  H      -1.189079     -6.886807      4.793243
  H      -1.070946     -5.525914      3.678839
  H      -3.173948     -7.741112      3.700528
  H      -1.925864     -7.495279      2.445379
  H      -6.615502     -7.203934      3.099448
  H      -5.200478     -7.466664      4.120540
  H      -5.311868     -6.203857      1.350465
  H      -4.586057     -7.782779      1.763179
  H      -3.324433     -3.728141      0.026894
  H      -4.756675     -4.415863      0.775602
  H      -1.880142     -5.225779      1.452014
  H      -2.966588     -6.182987      0.397412
  C       1.601281     -0.058280      1.544050
  C       0.401423     -0.979020      1.796312
  C      -0.588393     -1.130218      0.618909
  C      -1.187747      0.240590      0.247055
  C       0.160288     -1.660812     -0.621995
  C      -1.695947     -2.196045      0.897151
  C      -2.535629     -2.245650      2.199557
  C      -1.659782     -2.647537      3.419832
  C      -3.205894     -0.877642      2.457958
  C      -7.639212     -2.464644      0.976016
  C      -7.441130     -3.708031      1.847575
  C      -8.675186     -4.170011      2.657124
  C      -9.330728     -2.982490      3.390992
  C      -9.731057     -4.750434      1.693486
  C      -8.312480     -5.340289      3.622572
  C      -7.108285     -5.302775      4.624174
  C      -7.291682     -6.504650      5.592403
  C      -7.237992     -4.064221      5.510877
  C      -0.483195     -2.680174      9.995723
  C      -1.161907     -3.285699      8.760827
  C      -0.521600     -4.582501      8.203587
  C      -0.702320     -5.737338      9.203527
  C       0.991013     -4.360196      7.998970
  C      -1.080579     -4.920121      6.789087
  C      -2.510583     -5.477195      6.500483
  C      -3.612824     -4.645806      7.175123
  C      -2.680144     -6.946129      6.953584
  H       1.285880      0.964171      1.287355
  H       2.221766      0.006360      2.450902
  H       2.243957     -0.431338      0.732744
  H       0.781056     -1.979247      2.066686
  H      -0.148638     -0.593658      2.668362
  H      -2.028244      0.120895     -0.454303
  H      -1.552764      0.788031      1.126269
  H      -0.431478      0.868106     -0.248170
  H       0.708758     -2.587991     -0.388054
  H       0.880618     -0.922435     -1.003936
  H      -0.550977     -1.882241     -1.434009
  H      -2.403439     -2.089475      0.058430
  H      -1.212858     -3.182625      0.782331
  H      -1.337666     -1.807045      4.048046
  H      -0.768321     -3.209135      3.105266
  H      -2.261178     -3.329597      4.060112
  H      -4.042171     -1.008708      3.150603
  H      -2.507714     -0.142825      2.887357
  H      -3.610316     -0.473238      1.518203
  H      -6.712460     -2.243499      0.424856
  H      -8.443844     -2.594634      0.235021
  H      -7.877599     -1.578897      1.583738
  H      -6.603641     -3.529598      2.533762
  H      -7.138935     -4.548872      1.197338
  H      -9.883911     -2.351326      2.678902
  H     -10.050185     -3.339883      4.144670
  H      -8.595942     -2.342545      3.898753
  H     -10.606762     -5.119687      2.251957
  H      -9.316199     -5.591414      1.114710
  H     -10.085264     -3.987119      0.983711
  H      -8.193057     -6.232768      2.986267
  H      -9.206323     -5.533287      4.241112
  H      -6.385267     -6.624614      6.205558
  H      -7.486835     -7.455030      5.075141
  H      -8.142204     -6.306889      6.260726
  H      -8.277332     -3.982376      5.858473
  H      -6.586330     -4.139806      6.393014
  H      -6.985436     -3.154960      4.972181
  H      -0.400781     -3.409559     10.816691
  H       0.525391     -2.303218      9.772017
  H      -1.075927     -1.831338     10.369352
  H      -1.170449     -2.530620      7.955681
  H      -2.209703     -3.494202      9.018960
  H      -0.380947     -6.694041      8.763455
  H      -1.750150     -5.839310      9.523259
  H      -0.093811     -5.566458     10.104796
  H       1.455147     -5.256978      7.558398
  H       1.500181     -4.156245      8.952306
  H       1.177837     -3.512237      7.319635
  H      -0.373522     -5.644525      6.347971
  H      -0.995242     -4.000713      6.184006
  H      -3.714881     -4.917623      8.235308
  H      -3.410446     -3.570008      7.103243
  H      -4.567947     -4.843757      6.668943
  H      -3.569991     -7.370336      6.462277
  H      -1.811653     -7.569674      6.691146
  H      -2.825119     -7.013902      8.038953
  N      -4.678966     -2.912659      4.682501
  N      -5.136329     -1.863620      5.143171
  H      -5.969366     -1.491033      4.642975
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -4750.699580057444
  N      -3.640751     -3.297680      2.147194
  C      -3.694107     -4.191474      0.987641
  C      -2.940424     -5.494930      1.257179
  N      -3.546226     -6.097029      2.477320
  C      -4.813205     -6.785250      2.147439
  C      -5.671443     -6.783880      3.384217
  N      -5.788618     -5.418467      3.941285
  Mo     -4.024632     -4.386769      3.898638
  N      -2.744779     -5.426432      5.052211
  C      -1.820152     -6.208927      4.219798
  C      -2.607801     -7.012002      3.187853
  H      -1.218747     -6.909754      4.819109
  H      -1.091721     -5.556408      3.698814
  H      -3.203956     -7.767773      3.716790
  H      -1.950417     -7.527104      2.465785
  H      -6.650398     -7.202926      3.108603
  H      -5.244386     -7.477440      4.136194
  H      -5.324661     -6.222532      1.355485
  H      -4.614921     -7.806409      1.774826
  H      -3.317907     -3.741397      0.058476
  H      -4.753301     -4.430817      0.790332
  H      -1.887273     -5.264831      1.476567
  H      -2.974633     -6.209872      0.412271
  C       1.560899     -0.024240      1.544926
  C       0.374760     -0.958368      1.806096
  C      -0.629460     -1.112467      0.641391
  C      -1.247331      0.254151      0.286718
  C       0.107974     -1.627565     -0.612142
  C      -1.723446     -2.191231      0.926260
  C      -2.549790     -2.255577      2.235510
  C      -1.651984     -2.651821      3.443347
  C      -3.233151     -0.899997      2.511405
  C      -7.582972     -2.529268      0.870298
  C      -7.407519     -3.743741      1.784649
  C      -8.651341     -4.160306      2.603741
  C      -9.285177     -2.940551      3.301658
  C      -9.714645     -4.746955      1.652864
  C      -8.315424     -5.309851      3.602055
  C      -7.122064     -5.269499      4.612150
  C      -7.331325     -6.450465      5.598314
  C      -7.223084     -4.008638      5.470713
  C      -0.447929     -2.684477      9.979308
  C      -1.141089     -3.291597      8.754753
  C      -0.501975     -4.583181      8.183704
  C      -0.654488     -5.739820      9.185459
  C       1.004059     -4.348843      7.950017
  C      -1.085639     -4.922992      6.779784
  C      -2.517311     -5.488047      6.518601
  C      -3.611285     -4.662304      7.206517
  C      -2.669907     -6.956839      6.974075
  H       1.233484      0.996991      1.299412
  H       2.194284      0.041917      2.442459
  H       2.196752     -0.382796      0.722037
  H       0.765985     -1.956527      2.066388
  H      -0.167734     -0.587927      2.688873
  H      -2.093706      0.131018     -0.406578
  H      -1.610694      0.790969      1.172838
  H      -0.504014      0.894702     -0.210783
  H       0.666768     -2.551731     -0.392404
  H       0.817344     -0.881505     -0.998840
  H      -0.610879     -1.849601     -1.416975
  H      -2.437752     -2.087452      0.093508
  H      -1.231443     -3.171548      0.799891
  H      -1.329796     -1.809587      4.069118
  H      -0.761657     -3.209336      3.119181
  H      -2.232843     -3.332867      4.101154
  H      -4.048944     -1.042808      3.227258
  H      -2.535028     -0.158226      2.927748
  H      -3.663799     -0.495214      1.583900
  H      -6.651687     -2.339793      0.315625
  H      -8.386245     -2.670240      0.130207
  H      -7.810348     -1.619116      1.444847
  H      -6.568881     -3.556393      2.467247
  H      -7.111727     -4.610968      1.166945
  H      -9.820537     -2.315761      2.571007
  H     -10.015812     -3.261238      4.060766
  H      -8.540834     -2.303020      3.797567
  H     -10.599766     -5.083224      2.216801
  H      -9.314367     -5.612043      1.100531
  H     -10.051883     -3.998323      0.920073
  H      -8.210048     -6.222155      2.991314
  H      -9.217619     -5.471460      4.217483
  H      -6.432508     -6.574879      6.221138
  H      -7.540549     -7.406163      5.096823
  H      -8.182770     -6.226870      6.257127
  H      -8.257939     -3.906140      5.826066
  H      -6.563656     -4.070144      6.347008
  H      -6.966089     -3.106625      4.916894
  H      -0.348069     -3.413405     10.798459
  H       0.555516     -2.302119      9.742919
  H      -1.037942     -1.839389     10.364917
  H      -1.169836     -2.536583      7.950267
  H      -2.184291     -3.505963      9.025245
  H      -0.332533     -6.693841      8.740582
  H      -1.694942     -5.853071      9.524019
  H      -0.032513     -5.564581     10.076315
  H       1.467115     -5.241523      7.500684
  H       1.530704     -4.139345      8.892262
  H       1.171581     -3.500114      7.267036
  H      -0.382239     -5.641667      6.324583
  H      -1.016327     -4.002748      6.174496
  H      -3.680998     -4.922098      8.272011
  H      -3.431400     -3.584306      7.116062
  H      -4.578187     -4.877827      6.732163
  H      -3.567954     -7.387822      6.504841
  H      -1.804147     -7.575796      6.694024
  H      -2.788958     -7.024785      8.062376
  N      -4.604978     -2.974493      4.783463
  N      -5.010129     -1.928891      5.319038
  H      -5.817875     -1.486520      4.849339
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.579581597762
  N      -3.639790     -3.298882      2.145416
  C      -3.693712     -4.192118      0.985567
  C      -2.939782     -5.495719      1.253915
  N      -3.544936     -6.098552      2.474104
  C      -4.812186     -6.786582      2.144565
  C      -5.669583     -6.786224      3.382176
  N      -5.785388     -5.420815      3.939554
  Mo     -4.022623     -4.389191      3.896379
  N      -2.742512     -5.429596      5.049408
  C      -1.817937     -6.211711      4.216400
  C      -2.606015     -7.014161      3.183981
  H      -1.216419     -6.912930      4.815210
  H      -1.089573     -5.558914      3.695674
  H      -3.202086     -7.770057      3.712684
  H      -1.948957     -7.528937      2.461401
  H      -6.648801     -7.204696      3.107445
  H      -5.242008     -7.480558      4.133421
  H      -5.323852     -6.223098      1.353283
  H      -4.614371     -7.807546      1.771166
  H      -3.318104     -3.741505      0.056440
  H      -4.752988     -4.431480      0.788745
  H      -1.886517     -5.265699      1.472819
  H      -2.974445     -6.210197      0.408642
  C       1.559350     -0.022472      1.543747
  C       0.373973     -0.957650      1.804556
  C      -0.630483     -1.111559      0.640032
  C      -1.249413      0.254908      0.286628
  C       0.106920     -1.625176     -0.614102
  C      -1.723724     -2.191258      0.924381
  C      -2.549330     -2.256727      2.233844
  C      -1.650721     -2.653379      3.440949
  C      -3.233194     -0.901635      2.510814
  C      -7.580675     -2.531169      0.871696
  C      -7.406575     -3.745454      1.786489
  C      -8.649515     -4.158380      2.608868
  C      -9.278666     -2.936701      3.307543
  C      -9.716496     -4.742977      1.660982
  C      -8.313770     -5.308064      3.606995
  C      -7.117509     -5.269156      4.613531
  C      -7.324718     -6.449582      5.602499
  C      -7.213288     -4.007123      5.470693
  C      -0.459036     -2.682888      9.979884
  C      -1.148289     -3.291363      8.753789
  C      -0.507171     -4.583318      8.185717
  C      -0.662366     -5.739137      9.187985
  C       0.999497     -4.348827      7.956301
  C      -1.086683     -4.924376      6.780387
  C      -2.517640     -5.489824      6.515876
  C      -3.613321     -4.663275      7.199964
  C      -2.670975     -6.958244      6.972069
  H       1.231108      0.998706      1.299115
  H       2.192950      0.043468      2.441139
  H       2.195216     -0.379921      0.720402
  H       0.765967     -1.955724      2.063978
  H      -0.168516     -0.588260      2.687774
  H      -2.095913      0.131732     -0.406503
  H      -1.612885      0.790772      1.173278
  H      -0.506709      0.896376     -0.210590
  H       0.666397     -2.549128     -0.395240
  H       0.815666     -0.878336     -1.000420
  H      -0.612016     -1.847070     -1.418891
  H      -2.438355     -2.087257      0.091941
  H      -1.231291     -3.171236      0.797124
  H      -1.328508     -1.811443      4.067093
  H      -0.760399     -3.210382      3.115982
  H      -2.231119     -3.335013      4.098635
  H      -4.048591     -1.045143      3.226968
  H      -2.535239     -0.159749      2.927232
  H      -3.664482     -0.496614      1.583693
  H      -6.650084     -2.344602      0.314828
  H      -8.385958     -2.670437      0.133482
  H      -7.804257     -1.620025      1.446125
  H      -6.565913     -3.559835      2.467027
  H      -7.114521     -4.613895      1.168702
  H      -9.814273     -2.311113      2.577785
  H     -10.008207     -3.255172      4.068616
  H      -8.531639     -2.300635      3.801246
  H     -10.601088     -5.076770      2.227226
  H      -9.319637     -5.609366      1.108214
  H     -10.053657     -3.993969      0.928564
  H      -8.212085     -6.221075      2.996616
  H      -9.214595     -5.467357      4.224936
  H      -6.418029     -6.569644      6.219128
  H      -7.536241     -7.406449      5.104074
  H      -8.172862     -6.225417      6.265440
  H      -8.246741     -3.902201      5.829104
  H      -6.551247     -4.068740      6.345017
  H      -6.956369     -3.106272      4.915040
  H      -0.361435     -3.411008     10.800014
  H       0.544991     -2.300428      9.746193
  H      -1.050492     -1.837630     10.362907
  H      -1.174832     -2.537077      7.948539
  H      -2.192236     -3.505778      9.021348
  H      -0.338896     -6.693457      8.744877
  H      -1.703790     -5.852316      9.523561
  H      -0.043060     -5.562998     10.080514
  H       1.464092     -5.241757      7.509086
  H       1.523290     -4.138421      8.899931
  H       1.168839     -3.500622      7.273122
  H      -0.381909     -5.643276      6.327684
  H      -1.015850     -4.004600      6.174546
  H      -3.686199     -4.921667      8.265501
  H      -3.433102     -3.585407      7.108708
  H      -4.578937     -4.879377      6.722149
  H      -3.567838     -7.389790      6.501125
  H      -1.804445     -7.577230      6.694478
  H      -2.792499     -7.025390      8.060143
  N      -4.602662     -2.976849      4.782860
  N      -5.007650     -1.931490      5.316851
  H      -5.815297     -1.489821      4.846419
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.586339609917
  N      -3.640990     -3.321526      2.175766
  C      -3.687556     -4.211285      1.011974
  C      -2.941127     -5.519721      1.271229
  N      -3.555859     -6.126120      2.482036
  C      -4.826539     -6.801722      2.148646
  C      -5.693398     -6.789506      3.381341
  N      -5.798143     -5.422471      3.926561
  Mo     -4.041026     -4.403095      3.920571
  N      -2.762287     -5.443068      5.064684
  C      -1.839021     -6.229833      4.234131
  C      -2.624446     -7.036809      3.202912
  H      -1.242785     -6.927032      4.841805
  H      -1.106292     -5.581063      3.716199
  H      -3.226117     -7.790105      3.728426
  H      -1.965924     -7.553553      2.483304
  H      -6.678914     -7.193600      3.104827
  H      -5.285221     -7.485852      4.140685
  H      -5.324397     -6.233213      1.353098
  H      -4.635183     -7.824481      1.776527
  H      -3.309706     -3.750455      0.089859
  H      -4.745674     -4.445049      0.805477
  H      -1.888278     -5.298189      1.499821
  H      -2.974086     -6.231916      0.424544
  C       1.519039      0.014418      1.522559
  C       0.349024     -0.932694      1.800022
  C      -0.668417     -1.101645      0.649414
  C      -1.307138      0.255924      0.300496
  C       0.059189     -1.610218     -0.611662
  C      -1.746988     -2.192822      0.948662
  C      -2.559986     -2.265193      2.264835
  C      -1.638883     -2.646817      3.460612
  C      -3.258352     -0.923015      2.550713
  C      -7.537201     -2.578062      0.786280
  C      -7.379889     -3.768742      1.732162
  C      -8.627960     -4.147284      2.562132
  C      -9.239527     -2.903400      3.234465
  C      -9.701659     -4.735724      1.625079
  C      -8.311423     -5.279764      3.584078
  C      -7.122507     -5.238376      4.595129
  C      -7.347117     -6.400563      5.599563
  C      -7.189711     -3.959732      5.424827
  C      -0.441424     -2.692654      9.975123
  C      -1.139072     -3.300890      8.755817
  C      -0.496928     -4.586647      8.175150
  C      -0.629896     -5.745766      9.175277
  C       1.003807     -4.340224      7.925391
  C      -1.093799     -4.926629      6.777234
  C      -2.525070     -5.499073      6.532327
  C      -3.613073     -4.682533      7.231351
  C      -2.664894     -6.969033      6.983920
  H       1.177893      1.031079      1.279531
  H       2.164271      0.091173      2.410002
  H       2.148530     -0.335327      0.691865
  H       0.753167     -1.925397      2.058862
  H      -0.186259     -0.570698      2.689762
  H      -2.158872      0.121472     -0.383012
  H      -1.669259      0.788880      1.188567
  H      -0.578721      0.906168     -0.204776
  H       0.629939     -2.527568     -0.397936
  H       0.755523     -0.858490     -1.008774
  H      -0.665857     -1.841528     -1.407363
  H      -2.467366     -2.097963      0.120874
  H      -1.245198     -3.166768      0.817475
  H      -1.320175     -1.797977      4.078895
  H      -0.747824     -3.196704      3.127893
  H      -2.193396     -3.325456      4.139839
  H      -4.055291     -1.075386      3.286600
  H      -2.563202     -0.172621      2.953922
  H      -3.711912     -0.522327      1.633256
  H      -6.604178     -2.415916      0.226854
  H      -8.341808     -2.724630      0.049818
  H      -7.750960     -1.649589      1.334767
  H      -6.537088     -3.577177      2.408790
  H      -7.093359     -4.656130      1.139847
  H      -9.762997     -2.282815      2.492803
  H      -9.975075     -3.195194      3.999400
  H      -8.485515     -2.269968      3.718762
  H     -10.591916     -5.044809      2.195117
  H      -9.316992     -5.618863      1.092051
  H     -10.027176     -3.998631      0.876737
  H      -8.222686     -6.208084      2.995522
  H      -9.218010     -5.413996      4.199106
  H      -6.441335     -6.522933      6.216115
  H      -7.572179     -7.360390      5.114109
  H      -8.191010     -6.156715      6.260181
  H      -8.218490     -3.833683      5.789383
  H      -6.520845     -4.009867      6.292588
  H      -6.927341     -3.067623      4.854120
  H      -0.330212     -3.421142     10.792274
  H       0.558035     -2.304568      9.734036
  H      -1.031726     -1.852086     10.368311
  H      -1.182020     -2.545976      7.952549
  H      -2.179366     -3.521238      9.030257
  H      -0.304864     -6.696298      8.726885
  H      -1.664964     -5.869626      9.523969
  H      -0.001729     -5.567945     10.060391
  H       1.469166     -5.227624      7.469723
  H       1.539665     -4.126822      8.860694
  H       1.157426     -3.489970      7.242192
  H      -0.391087     -5.638248      6.312048
  H      -1.036126     -4.004618      6.174524
  H      -3.659775     -4.939454      8.297956
  H      -3.452467     -3.603093      7.134381
  H      -4.587293     -4.908787      6.777678
  H      -3.567109     -7.404597      6.528957
  H      -1.800885     -7.582944      6.691507
  H      -2.766325     -7.040494      8.073168
  N      -4.528542     -3.028377      4.902153
  N      -4.873556     -2.007586      5.540381
  H      -5.660889     -1.496799      5.123985
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.587601299150
  N      -3.633112     -3.332293      2.207730
  C      -3.680913     -4.220587      1.049494
  C      -2.941583     -5.535706      1.312120
  N      -3.560634     -6.139903      2.511304
  C      -4.826548     -6.802093      2.176391
  C      -5.708330     -6.768556      3.398082
  N      -5.805508     -5.401582      3.926300
  Mo     -4.051022     -4.398283      3.943381
  N      -2.773063     -5.441162      5.085830
  C      -1.855390     -6.234682      4.262221
  C      -2.640286     -7.042335      3.238569
  H      -1.264014     -6.932777      4.872388
  H      -1.119595     -5.591816      3.742091
  H      -3.244776     -7.791092      3.766209
  H      -1.978505     -7.564526      2.525810
  H      -6.695445     -7.162921      3.113558
  H      -5.319083     -7.461750      4.169226
  H      -5.312993     -6.233979      1.374963
  H      -4.643143     -7.829397      1.812235
  H      -3.298166     -3.758878      0.130405
  H      -4.738199     -4.449455      0.836827
  H      -1.889161     -5.318646      1.545393
  H      -2.974638     -6.244828      0.463823
  C       1.494329      0.045811      1.490026
  C       0.338619     -0.910543      1.786259
  C      -0.688182     -1.098261      0.648525
  C      -1.344932      0.248539      0.296640
  C       0.032501     -1.608022     -0.615331
  C      -1.753881     -2.197626      0.964250
  C      -2.559798     -2.275102      2.286041
  C      -1.624091     -2.637770      3.469893
  C      -3.274629     -0.945696      2.572912
  C      -7.536528     -2.596495      0.718441
  C      -7.382625     -3.772050      1.681056
  C      -8.633015     -4.147795      2.503531
  C      -9.257277     -2.903498      3.160337
  C      -9.696706     -4.749956      1.563346
  C      -8.320520     -5.265919      3.540328
  C      -7.141218     -5.212617      4.566558
  C      -7.378838     -6.362327      5.581021
  C      -7.220560     -3.927771      5.363485
  C      -0.395628     -2.723008      9.986050
  C      -1.105633     -3.321980      8.771565
  C      -0.467951     -4.600162      8.171919
  C      -0.583358     -5.767751      9.161694
  C       1.027487     -4.345871      7.903593
  C      -1.083350     -4.929238      6.780685
  C      -2.517059     -5.504034      6.553272
  C      -3.590989     -4.702789      7.283612
  C      -2.652878     -6.977599      6.997274
  H       1.139899      1.055681      1.244130
  H       2.146581      0.134670      2.369490
  H       2.117719     -0.302481      0.655981
  H       0.754509     -1.896282      2.048337
  H      -0.189868     -0.548648      2.678556
  H      -2.199714      0.099073     -0.377612
  H      -1.705095      0.781835      1.183504
  H      -0.629694      0.903239     -0.218483
  H       0.613092     -2.516881     -0.399961
  H       0.716673     -0.852976     -1.022770
  H      -0.696321     -1.851718     -1.401868
  H      -2.477546     -2.111780      0.139079
  H      -1.244964     -3.167328      0.836440
  H      -1.306546     -1.774979      4.068722
  H      -0.732969     -3.179375      3.128925
  H      -2.158392     -3.308070      4.167051
  H      -4.059221     -1.107067      3.319221
  H      -2.586460     -0.185317      2.964567
  H      -3.745318     -0.556333      1.661385
  H      -6.599170     -2.438056      0.166832
  H      -8.331972     -2.757965     -0.022499
  H      -7.759843     -1.663090      1.251559
  H      -6.547284     -3.565720      2.363361
  H      -7.085464     -4.664932      1.104677
  H      -9.778014     -2.291763      2.411484
  H      -9.995771     -3.197826      3.918947
  H      -8.512036     -2.264102      3.646248
  H     -10.589019     -5.057525      2.128193
  H      -9.304736     -5.635107      1.042126
  H     -10.018767     -4.022197      0.806859
  H      -8.222407     -6.201206      2.969068
  H      -9.235795     -5.393098      4.142614
  H      -6.483629     -6.471644      6.207759
  H      -7.588597     -7.323862      5.095862
  H      -8.232582     -6.121179      6.227424
  H      -8.253650     -3.791281      5.711711
  H      -6.563131     -3.958712      6.237442
  H      -6.949601     -3.059756      4.764258
  H      -0.273676     -3.457454     10.794251
  H       0.598978     -2.331631      9.736254
  H      -0.982745     -1.888108     10.392019
  H      -1.160676     -2.561024      7.976141
  H      -2.141399     -3.546273      9.055581
  H      -0.261184     -6.711270      8.700171
  H      -1.612135     -5.897616      9.521374
  H       0.054598     -5.596405     10.039330
  H       1.490017     -5.226018      7.434571
  H       1.574194     -4.138223      8.832235
  H       1.166769     -3.490186      7.226504
  H      -0.386395     -5.632797      6.298791
  H      -1.037574     -4.001822      6.187174
  H      -3.607339     -4.972394      8.346712
  H      -3.441200     -3.623650      7.195584
  H      -4.573909     -4.934265      6.852321
  H      -3.563681     -7.405903      6.556149
  H      -1.798049     -7.592779      6.688589
  H      -2.735632     -7.055885      8.086314
  N      -4.511410     -2.958839      5.034784
  N      -4.792235     -1.983667      5.771687
  H      -5.569837     -1.420815      5.398466
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.596742266272
  N      -3.625615     -3.363439      2.236670
  C      -3.678786     -4.253848      1.074341
  C      -2.964303     -5.580276      1.337929
  N      -3.594470     -6.178442      2.540073
  C      -4.870721     -6.832095      2.217445
  C      -5.753643     -6.770829      3.440331
  N      -5.830966     -5.388477      3.939469
  Mo     -4.067475     -4.405905      3.978031
  N      -2.791161     -5.459885      5.115046
  C      -1.882733     -6.276331      4.290854
  C      -2.681408     -7.084824      3.277083
  H      -1.299733     -6.976891      4.906171
  H      -1.138904     -5.647780      3.764618
  H      -3.293765     -7.822440      3.812246
  H      -2.027374     -7.621069      2.567014
  H      -6.746046     -7.151884      3.157225
  H      -5.382297     -7.457660      4.226492
  H      -5.350370     -6.268576      1.408086
  H      -4.701385     -7.866510      1.866113
  H      -3.290287     -3.795622      0.156401
  H      -4.738613     -4.467424      0.857185
  H      -1.908976     -5.380333      1.574268
  H      -3.006051     -6.289226      0.489363
  C       1.431551      0.127114      1.492039
  C       0.302287     -0.859660      1.790661
  C      -0.738870     -1.053442      0.666608
  C      -1.432310      0.283323      0.347049
  C      -0.027950     -1.527816     -0.616625
  C      -1.776537     -2.180051      0.981237
  C      -2.562279     -2.287536      2.312675
  C      -1.595434     -2.639602      3.478865
  C      -3.300983     -0.976412      2.622941
  C      -7.442106     -2.702611      0.599073
  C      -7.333891     -3.833162      1.620043
  C      -8.607994     -4.147004      2.433046
  C      -9.215645     -2.862052      3.025310
  C      -9.668677     -4.765285      1.499851
  C      -8.337171     -5.226242      3.521683
  C      -7.172016     -5.149149      4.562420
  C      -7.438030     -6.250516      5.623742
  C      -7.228126     -3.824350      5.296282
  C      -0.320496     -2.761622      9.992167
  C      -1.053707     -3.351219      8.786869
  C      -0.428428     -4.625356      8.164289
  C      -0.520096     -5.799908      9.148730
  C       1.060211     -4.366325      7.863673
  C      -1.074251     -4.946623      6.784439
  C      -2.512074     -5.521902      6.584404
  C      -3.572009     -4.729995      7.344496
  C      -2.637290     -6.998153      7.023526
  H       1.051161      1.133442      1.268032
  H       2.096694      0.217191      2.362430
  H       2.049553     -0.192662      0.641786
  H       0.743056     -1.840423      2.032027
  H      -0.219992     -0.525566      2.698176
  H      -2.293310      0.124852     -0.318331
  H      -1.793982      0.792550      1.248492
  H      -0.740360      0.965135     -0.166101
  H       0.574656     -2.428498     -0.425245
  H       0.634508     -0.752104     -1.022948
  H      -0.764311     -1.774228     -1.396229
  H      -2.511044     -2.097045      0.165249
  H      -1.250089     -3.137888      0.833832
  H      -1.273724     -1.768460      4.063970
  H      -0.705971     -3.175581      3.122707
  H      -2.108844     -3.303209      4.200812
  H      -4.059636     -1.159963      3.393287
  H      -2.620760     -0.200095      2.999603
  H      -3.807367     -0.594743      1.726265
  H      -6.488730     -2.587637      0.062807
  H      -8.223941     -2.883245     -0.152816
  H      -7.658640     -1.739740      1.081783
  H      -6.509560     -3.609503      2.310246
  H      -7.038651     -4.759013      1.096038
  H      -9.706594     -2.268907      2.241300
  H      -9.976490     -3.107962      3.780105
  H      -8.465256     -2.220011      3.501244
  H     -10.578275     -5.028905      2.060635
  H      -9.287715     -5.681133      1.023992
  H      -9.961187     -4.063463      0.706725
  H      -8.250503     -6.188951      2.994641
  H      -9.265491     -5.309698      4.112358
  H      -6.542786     -6.348134      6.257972
  H      -7.662831     -7.228301      5.177887
  H      -8.290161     -5.967613      6.256338
  H      -8.258790     -3.651141      5.636772
  H      -6.570392     -3.821540      6.171228
  H      -6.941145     -2.989822      4.653806
  H      -0.183982     -3.501982     10.793674
  H       0.670879     -2.369907      9.727400
  H      -0.898377     -1.928227     10.415818
  H      -1.125390     -2.584320      7.997747
  H      -2.085212     -3.576054      9.086980
  H      -0.204711     -6.740426      8.674768
  H      -1.541487     -5.935830      9.528856
  H       0.135287     -5.632675     10.015090
  H       1.514552     -5.243284      7.379364
  H       1.627820     -4.161450      8.781136
  H       1.182569     -3.506306      7.187623
  H      -0.385937     -5.645640      6.282733
  H      -1.042408     -4.014855      6.196252
  H      -3.552443     -5.001774      8.407627
  H      -3.439482     -3.648790      7.254902
  H      -4.567148     -4.971037      6.945205
  H      -3.560158     -7.424435      6.604784
  H      -1.790615     -7.614098      6.692107
  H      -2.691709     -7.080735      8.114613
  N      -4.474074     -2.997625      5.067334
  N      -4.730803     -2.032970      5.818736
  H      -5.483305     -1.437807      5.439378
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.599122495039
  N      -3.586775     -3.419823      2.251097
  C      -3.641845     -4.300690      1.083081
  C      -2.947729     -5.632375      1.343813
  N      -3.590669     -6.232797      2.540652
  C      -4.875031     -6.878514      2.224048
  C      -5.753025     -6.798811      3.449195
  N      -5.822384     -5.407488      3.925065
  Mo     -4.047442     -4.455561      3.977440
  N      -2.780077     -5.514881      5.109053
  C      -1.876164     -6.334960      4.284483
  C      -2.683740     -7.143348      3.280855
  H      -1.293497     -7.036270      4.898204
  H      -1.132588     -5.709253      3.754484
  H      -3.299364     -7.874609      3.821962
  H      -2.035252     -7.688223      2.571732
  H      -6.747118     -7.177779      3.171690
  H      -5.384587     -7.476960      4.244165
  H      -5.351863     -6.319225      1.408666
  H      -4.716538     -7.918137      1.882939
  H      -3.241582     -3.841348      0.170035
  H      -4.703259     -4.501007      0.857217
  H      -1.891002     -5.447597      1.587555
  H      -2.993774     -6.334179      0.488924
  C       1.403219      0.168217      1.476389
  C       0.296434     -0.842376      1.784025
  C      -0.773255     -1.027891      0.684800
  C      -1.495689      0.305377      0.413293
  C      -0.090419     -1.462474     -0.627994
  C      -1.786483     -2.178326      0.998262
  C      -2.542035     -2.330089      2.342268
  C      -1.551835     -2.706098      3.482837
  C      -3.297624     -1.039052      2.701781
  C      -7.435642     -2.689336      0.567319
  C      -7.324979     -3.805016      1.605439
  C      -8.598022     -4.106354      2.426284
  C      -9.192602     -2.810891      3.012863
  C      -9.669472     -4.719501      1.502283
  C      -8.332531     -5.185414      3.518761
  C      -7.157932     -5.122309      4.550667
  C      -7.440752     -6.203105      5.627543
  C      -7.167708     -3.781424      5.271342
  C      -0.364409     -2.716995      9.962863
  C      -1.081510     -3.331082      8.758685
  C      -0.441154     -4.610661      8.160946
  C      -0.527280     -5.769873      9.165459
  C       1.047023     -4.341998      7.863592
  C      -1.075459     -4.961533      6.781749
  C      -2.505205     -5.554629      6.578894
  C      -3.586405     -4.757900      7.306320
  C      -2.623011     -7.023270      7.047566
  H       1.001401      1.174320      1.285667
  H       2.091890      0.249304      2.330501
  H       2.002446     -0.122866      0.601216
  H       0.757339     -1.822376      1.992798
  H      -0.205119     -0.536062      2.713773
  H      -2.369963      0.148515     -0.236894
  H      -1.845704      0.787204      1.335476
  H      -0.826332      1.011973     -0.098955
  H       0.528729     -2.360458     -0.473759
  H       0.551962     -0.667707     -1.032874
  H      -0.844669     -1.700354     -1.394632
  H      -2.540301     -2.089100      0.199426
  H      -1.249507     -3.125488      0.816899
  H      -1.214118     -1.840683      4.068116
  H      -0.669963     -3.239533      3.101775
  H      -2.051277     -3.371983      4.210105
  H      -4.024995     -1.254989      3.493818
  H      -2.622438     -0.253165      3.071759
  H      -3.842948     -0.652687      1.828597
  H      -6.482370     -2.580580      0.028128
  H      -8.219111     -2.881225     -0.181759
  H      -7.652640     -1.718732      1.036992
  H      -6.500332     -3.568655      2.291049
  H      -7.027759     -4.740091      1.097993
  H      -9.677123     -2.216359      2.224384
  H      -9.957591     -3.044530      3.769221
  H      -8.435454     -2.173165      3.486573
  H     -10.579351     -4.971771      2.069971
  H      -9.299258     -5.642591      1.028960
  H      -9.960008     -4.018395      0.706032
  H      -8.269658     -6.153740      2.996800
  H      -9.257343     -5.252036      4.118374
  H      -6.540273     -6.314062      6.256294
  H      -7.690697     -7.182494      5.195566
  H      -8.281648     -5.892921      6.264245
  H      -8.188147     -3.573208      5.623569
  H      -6.497309     -3.785965      6.138668
  H      -6.863047     -2.960156      4.614815
  H      -0.231897     -3.444022     10.778773
  H       0.628630     -2.323549      9.702449
  H      -0.951926     -1.879345     10.367190
  H      -1.151635     -2.576098      7.956729
  H      -2.115698     -3.557548      9.051330
  H      -0.196340     -6.715738      8.710356
  H      -1.551304     -5.911959      9.539712
  H       0.119000     -5.579719     10.035366
  H       1.513454     -5.224017      7.397796
  H       1.607872     -4.113797      8.781088
  H       1.164875     -3.492639      7.171499
  H      -0.375048     -5.661420      6.296145
  H      -1.049122     -4.038335      6.178728
  H      -3.568306     -4.994919      8.378548
  H      -3.476231     -3.675897      7.182359
  H      -4.576004     -5.031693      6.910355
  H      -3.543819     -7.462931      6.635595
  H      -1.771731     -7.644271      6.734444
  H      -2.680766     -7.081569      8.140977
  N      -4.418649     -3.102048      5.028791
  N      -4.667255     -2.138584      5.774816
  H      -5.375816     -1.502817      5.372626
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.601900009103
  N      -3.568037     -3.452352      2.279001
  C      -3.631731     -4.328670      1.111727
  C      -2.965206     -5.671456      1.373387
  N      -3.615120     -6.260115      2.567841
  C      -4.905653     -6.890462      2.264916
  C      -5.779758     -6.782049      3.492117
  N      -5.830822     -5.385342      3.941182
  Mo     -4.044951     -4.465909      4.002089
  N      -2.784908     -5.537886      5.128396
  C      -1.894941     -6.368574      4.302241
  C      -2.717007     -7.173126      3.309080
  H      -1.316765     -7.074177      4.915413
  H      -1.147746     -5.752521      3.766404
  H      -3.337249     -7.893614      3.858845
  H      -2.078085     -7.730851      2.600888
  H      -6.779392     -7.151836      3.220686
  H      -5.420026     -7.451760      4.297514
  H      -5.377600     -6.335838      1.443671
  H      -4.763719     -7.936992      1.937338
  H      -3.219481     -3.874015      0.201589
  H      -4.695345     -4.511147      0.879369
  H      -1.905192     -5.506787      1.617041
  H      -3.024207     -6.370680      0.517352
  C       1.350213      0.215320      1.456738
  C       0.265422     -0.816131      1.771130
  C      -0.827086     -0.997569      0.694585
  C      -1.575740      0.328661      0.463934
  C      -0.170249     -1.399428     -0.641667
  C      -1.816029     -2.167419      1.012381
  C      -2.540436     -2.352283      2.369088
  C      -1.521649     -2.736656      3.480546
  C      -3.305997     -1.079380      2.765762
  C      -7.359541     -2.757191      0.486169
  C      -7.275376     -3.830829      1.569456
  C      -8.566481     -4.099522      2.371819
  C      -9.161668     -2.784252      2.911304
  C      -9.624794     -4.729810      1.444121
  C      -8.329849     -5.148797      3.498115
  C      -7.168875     -5.065924      4.543038
  C      -7.474104     -6.109697      5.648652
  C      -7.167861     -3.703872      5.216495
  C      -0.342758     -2.747427      9.972393
  C      -1.062951     -3.356983      8.768340
  C      -0.419300     -4.627944      8.156976
  C      -0.484441     -5.793164      9.155226
  C       1.062866     -4.345402      7.843762
  C      -1.067366     -4.975226      6.783789
  C      -2.494308     -5.577727      6.595751
  C      -3.572249     -4.795294      7.341516
  C      -2.597129     -7.048948      7.059963
  H       0.929635      1.218319      1.294803
  H       2.057239      0.289997      2.295766
  H       1.932154     -0.050399      0.562548
  H       0.743630     -1.793141      1.951972
  H      -0.217784     -0.534207      2.717889
  H      -2.459529      0.169876     -0.172075
  H      -1.915469      0.785963      1.401778
  H      -0.928427      1.056114     -0.046655
  H       0.462448     -2.292079     -0.518085
  H       0.452748     -0.589621     -1.045731
  H      -0.938894     -1.632450     -1.394799
  H      -2.587469     -2.077384      0.230456
  H      -1.269836     -3.103986      0.806108
  H      -1.162438     -1.869678      4.050911
  H      -0.653910     -3.273645      3.074003
  H      -2.001579     -3.398729      4.224068
  H      -3.995648     -1.313706      3.583710
  H      -2.632563     -0.282759      3.113789
  H      -3.892425     -0.700263      1.917001
  H      -6.393498     -2.670270     -0.033410
  H      -8.124845     -2.978119     -0.272837
  H      -7.586346     -1.769320      0.912211
  H      -6.466692     -3.566894      2.264896
  H      -6.966122     -4.785280      1.108415
  H      -9.620557     -2.205219      2.096970
  H      -9.946862     -2.992719      3.653494
  H      -8.409986     -2.142804      3.387627
  H     -10.547349     -4.958721      2.000288
  H      -9.253612     -5.668486      1.004275
  H      -9.893535     -4.049285      0.623429
  H      -8.269868     -6.133284      3.007918
  H      -9.264557     -5.188662      4.084419
  H      -6.579733     -6.213949      6.284205
  H      -7.732462     -7.096621      5.240650
  H      -8.314391     -5.772734      6.271771
  H      -8.187334     -3.470719      5.555397
  H      -6.503051     -3.687384      6.086480
  H      -6.847929     -2.912371      4.530563
  H      -0.203186     -3.478755     10.782665
  H       0.646989     -2.348435      9.709478
  H      -0.931849     -1.915164     10.384337
  H      -1.142822     -2.596800      7.972579
  H      -2.094355     -3.590691      9.064494
  H      -0.147820     -6.732420      8.691707
  H      -1.503393     -5.947659      9.536851
  H       0.166903     -5.601537     10.020526
  H       1.531704     -5.221196      7.369661
  H       1.631630     -4.115539      8.755473
  H       1.165023     -3.492788      7.153837
  H      -0.368052     -5.665815      6.284198
  H      -1.056059     -4.047789      6.187527
  H      -3.526740     -5.027895      8.413615
  H      -3.482581     -3.713031      7.212288
  H      -4.565521     -5.087810      6.968580
  H      -3.524702     -7.489005      6.665007
  H      -1.750854     -7.666647      6.729128
  H      -2.633062     -7.111473      8.153686
  N      -4.397074     -3.076558      5.076129
  N      -4.624457     -2.110914      5.832769
  H      -5.282639     -1.435975      5.408724
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.604276660361
  N      -3.523527     -3.517191      2.309493
  C      -3.578053     -4.386072      1.139999
  C      -2.921860     -5.731244      1.411395
  N      -3.590761     -6.314647      2.593690
  C      -4.888639     -6.926119      2.278245
  C      -5.789723     -6.788740      3.489829
  N      -5.834882     -5.386585      3.923901
  Mo     -4.038322     -4.510075      4.021215
  N      -2.787521     -5.583306      5.153116
  C      -1.893763     -6.417188      4.339630
  C      -2.709214     -7.226248      3.350980
  H      -1.319445     -7.118752      4.961291
  H      -1.143143     -5.804327      3.805009
  H      -3.338455     -7.938597      3.901902
  H      -2.065818     -7.794967      2.654584
  H      -6.790524     -7.148969      3.207450
  H      -5.451234     -7.455690      4.308641
  H      -5.337138     -6.370972      1.442615
  H      -4.759559     -7.979625      1.963998
  H      -3.146164     -3.929776      0.239446
  H      -4.639617     -4.561693      0.887150
  H      -1.862905     -5.576163      1.667885
  H      -2.976497     -6.427437      0.553013
  C       1.270971      0.315064      1.410660
  C       0.227222     -0.757339      1.747443
  C      -0.877977     -0.978698      0.690320
  C      -1.681352      0.321358      0.466154
  C      -0.228323     -1.357600     -0.656711
  C      -1.822717     -2.184306      1.030643
  C      -2.521612     -2.395666      2.399290
  C      -1.480059     -2.768851      3.493047
  C      -3.309621     -1.140713      2.809436
  C      -7.365540     -2.737741      0.422889
  C      -7.274671     -3.793010      1.526563
  C      -8.565816     -4.055198      2.330304
  C      -9.157691     -2.735688      2.865195
  C      -9.626383     -4.687208      1.405641
  C      -8.333538     -5.099152      3.462115
  C      -7.173002     -5.024397      4.507275
  C      -7.504629     -6.042422      5.632279
  C      -7.137303     -3.645325      5.154390
  C      -0.330671     -2.750703      9.970690
  C      -1.056620     -3.368950      8.774559
  C      -0.413806     -4.642018      8.167060
  C      -0.462734     -5.800346      9.174503
  C       1.064680     -4.354052      7.836273
  C      -1.073085     -5.000601      6.801148
  C      -2.496717     -5.613542      6.620835
  C      -3.580773     -4.839900      7.366041
  C      -2.589000     -7.082769      7.093943
  H       0.809559      1.303333      1.253018
  H       1.990409      0.415178      2.237111
  H       1.849451      0.071758      0.506902
  H       0.743126     -1.718308      1.924669
  H      -0.252200     -0.492804      2.701483
  H      -2.567752      0.128934     -0.158134
  H      -2.028625      0.766085      1.406272
  H      -1.066532      1.075189     -0.054398
  H       0.437463     -2.229320     -0.541134
  H       0.361478     -0.525793     -1.073372
  H      -1.002269     -1.616586     -1.396167
  H      -2.610958     -2.120945      0.260372
  H      -1.248123     -3.104011      0.818511
  H      -1.109432     -1.891553      4.043074
  H      -0.616867     -3.302180      3.069957
  H      -1.936348     -3.428689      4.256000
  H      -3.974504     -1.389598      3.644591
  H      -2.644522     -0.327163      3.138077
  H      -3.925327     -0.776894      1.971475
  H      -6.399560     -2.653914     -0.097420
  H      -8.128485     -2.977294     -0.334491
  H      -7.600589     -1.742284      0.832588
  H      -6.468545     -3.510763      2.221483
  H      -6.956487     -4.755836      1.083230
  H      -9.608676     -2.155469      2.047020
  H      -9.949226     -2.939267      3.602775
  H      -8.405573     -2.098101      3.346010
  H     -10.549007     -4.911525      1.963752
  H      -9.257829     -5.629125      0.969214
  H      -9.894618     -4.009881      0.582288
  H      -8.288379     -6.090129      2.980746
  H      -9.268259     -5.123583      4.051282
  H      -6.609862     -6.150700      6.267622
  H      -7.777527     -7.032307      5.238794
  H      -8.339603     -5.680963      6.251174
  H      -8.154131     -3.370144      5.476469
  H      -6.486502     -3.635176      6.033330
  H      -6.777606     -2.875023      4.456831
  H      -0.187628     -3.475371     10.785942
  H       0.658116     -2.354570      9.700363
  H      -0.917323     -1.915093     10.379047
  H      -1.142441     -2.614348      7.974076
  H      -2.086566     -3.601196      9.076415
  H      -0.123227     -6.740136      8.714798
  H      -1.477676     -5.959447      9.565184
  H       0.193997     -5.598670     10.033677
  H       1.534100     -5.230881      7.365105
  H       1.641489     -4.112812      8.740608
  H       1.155264     -3.506914      7.137653
  H      -0.372154     -5.687426      6.297928
  H      -1.072273     -4.075037      6.201967
  H      -3.524960     -5.065162      8.439701
  H      -3.506515     -3.757789      7.229739
  H      -4.573852     -5.147293      7.001589
  H      -3.518058     -7.528419      6.708575
  H      -1.742720     -7.700175      6.763816
  H      -2.617671     -7.138224      8.188480
  N      -4.315888     -3.116664      5.110478
  N      -4.464951     -2.179394      5.942702
  H      -5.069539     -1.413538      5.549639
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.603149397321
  N      -3.501569     -3.540457      2.343105
  C      -3.547471     -4.400986      1.170832
  C      -2.880195     -5.736505      1.450246
  N      -3.553292     -6.319766      2.621117
  C      -4.852747     -6.919650      2.288721
  C      -5.786063     -6.761788      3.478208
  N      -5.839021     -5.359191      3.907122
  Mo     -4.046145     -4.511842      4.041817
  N      -2.782938     -5.576403      5.176051
  C      -1.874733     -6.396764      4.372361
  C      -2.675707     -7.218754      3.387681
  H      -1.293247     -7.088305      4.997317
  H      -1.130684     -5.775602      3.840415
  H      -3.301130     -7.931141      3.940526
  H      -2.023019     -7.789336      2.701741
  H      -6.781444     -7.121370      3.178591
  H      -5.462295     -7.423698      4.304882
  H      -5.279284     -6.366385      1.441410
  H      -4.731716     -7.976782      1.985339
  H      -3.102063     -3.941917      0.279598
  H      -4.603671     -4.582825      0.900454
  H      -1.825649     -5.576158      1.712082
  H      -2.925729     -6.427937      0.587747
  C       1.202826      0.335526      1.367673
  C       0.170372     -0.734575      1.717188
  C      -0.921891     -0.995922      0.663419
  C      -1.735812      0.281727      0.405893
  C      -0.270136     -1.401067     -0.667136
  C      -1.844126     -2.203666      1.032213
  C      -2.524378     -2.397694      2.408053
  C      -1.462030     -2.719506      3.491131
  C      -3.319910     -1.147326      2.785432
  C      -7.384925     -2.729933      0.396831
  C      -7.286304     -3.767708      1.503695
  C      -8.570062     -4.021413      2.305087
  C      -9.148893     -2.709948      2.844953
  C      -9.638810     -4.642268      1.385231
  C      -8.336491     -5.059841      3.428261
  C      -7.175709     -4.985763      4.469266
  C      -7.511848     -5.988735      5.599219
  C      -7.121932     -3.610429      5.106147
  C      -0.337421     -2.803077     10.030007
  C      -1.062797     -3.406332      8.827491
  C      -0.409660     -4.659755      8.193628
  C      -0.433659     -5.836666      9.177121
  C       1.061050     -4.347798      7.853455
  C      -1.077004     -4.998364      6.829196
  C      -2.490239     -5.626387      6.642091
  C      -3.582575     -4.895646      7.417885
  C      -2.557020     -7.105259      7.086955
  H       0.736251      1.310041      1.185360
  H       1.910938      0.463861      2.193410
  H       1.784297      0.075577      0.479387
  H       0.688809     -1.682953      1.918950
  H      -0.312528     -0.450312      2.656795
  H      -2.611279      0.060543     -0.219239
  H      -2.092420      0.743729      1.328764
  H      -1.129129      1.026465     -0.122702
  H       0.399538     -2.258491     -0.529311
  H       0.310538     -0.575780     -1.096282
  H      -1.036863     -1.686873     -1.400617
  H      -2.637311     -2.176303      0.266824
  H      -1.256936     -3.115495      0.842098
  H      -1.089558     -1.811554      3.991624
  H      -0.598325     -3.245453      3.061900
  H      -1.877980     -3.369479      4.284549
  H      -3.969986     -1.374576      3.621694
  H      -2.663512     -0.314596      3.082027
  H      -3.939186     -0.826142      1.943291
  H      -6.427698     -2.653036     -0.127420
  H      -8.153202     -2.976287     -0.348866
  H      -7.614014     -1.739087      0.796544
  H      -6.477225     -3.480552      2.192837
  H      -6.973809     -4.726472      1.071088
  H      -9.595296     -2.126217      2.031968
  H      -9.938809     -2.912900      3.573970
  H      -8.393244     -2.085347      3.331525
  H     -10.554537     -4.863262      1.943343
  H      -9.280091     -5.577856      0.946393
  H      -9.910273     -3.966231      0.569244
  H      -8.301834     -6.047264      2.951333
  H      -9.265649     -5.079028      4.017259
  H      -6.608936     -6.085623      6.227506
  H      -7.778638     -6.978501      5.208565
  H      -8.343754     -5.630071      6.217390
  H      -8.135292     -3.312602      5.409889
  H      -6.485706     -3.615898      5.991797
  H      -6.731237     -2.853266      4.411922
  H      -0.185165     -3.539457     10.830787
  H       0.645670     -2.394709      9.761853
  H      -0.929222     -1.979810     10.453710
  H      -1.160019     -2.638753      8.042619
  H      -2.088369     -3.653941      9.129010
  H      -0.085151     -6.760981      8.695547
  H      -1.442311     -6.016298      9.571871
  H       0.226120     -5.643749     10.033816
  H       1.537363     -5.209348      7.362808
  H       1.642025     -4.115845      8.755017
  H       1.133351     -3.488355      7.170639
  H      -0.371397     -5.663386      6.303411
  H      -1.094560     -4.059500      6.253507
  H      -3.512737     -5.150719      8.481139
  H      -3.528224     -3.812854      7.316388
  H      -4.571035     -5.207900      7.053787
  H      -3.482354     -7.552225      6.700683
  H      -1.706915     -7.707747      6.743572
  H      -2.578162     -7.180487      8.178326
  N      -4.305414     -3.125777      5.113478
  N      -4.395316     -2.284362      6.023017
  H      -4.955539     -1.512682      5.707404
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.606071854142
  N      -3.512578     -3.552797      2.362295
  C      -3.585046     -4.409668      1.181663
  C      -2.934108     -5.757392      1.453959
  N      -3.595459     -6.330248      2.643634
  C      -4.918265     -6.922243      2.341839
  C      -5.830075     -6.746492      3.547528
  N      -5.872842     -5.328492      3.965212
  Mo     -4.049467     -4.523874      4.067077
  N      -2.774428     -5.615020      5.182849
  C      -1.884461     -6.442950      4.359585
  C      -2.715336     -7.251358      3.389387
  H      -1.297780     -7.144372      4.969112
  H      -1.142053     -5.828229      3.814719
  H      -3.341764     -7.954793      3.955136
  H      -2.086388     -7.834495      2.690434
  H      -6.830364     -7.106357      3.261496
  H      -5.492847     -7.404373      4.371462
  H      -5.357522     -6.374234      1.498151
  H      -4.816064     -7.983744      2.046725
  H      -3.141539     -3.963241      0.284128
  H      -4.647322     -4.576846      0.921431
  H      -1.871420     -5.612441      1.694694
  H      -3.006443     -6.448664      0.590114
  C       1.160740      0.348630      1.391260
  C       0.130263     -0.728175      1.721900
  C      -0.980695     -0.947833      0.674688
  C      -1.795785      0.343744      0.473958
  C      -0.353072     -1.313420     -0.688521
  C      -1.891967     -2.164670      1.025343
  C      -2.542442     -2.394450      2.417124
  C      -1.452560     -2.739439      3.469650
  C      -3.332039     -1.143625      2.836240
  C      -7.205852     -2.868076      0.313722
  C      -7.185877     -3.854394      1.499045
  C      -8.521010     -4.031456      2.265339
  C      -9.091968     -2.663754      2.718045
  C      -9.566567     -4.677775      1.331612
  C      -8.350223     -5.026823      3.456497
  C      -7.213888     -4.923333      4.519761
  C      -7.572815     -5.886761      5.687055
  C      -7.156874     -3.511405      5.114360
  C      -0.357509     -2.835436     10.039042
  C      -1.068409     -3.446158      8.829242
  C      -0.384758     -4.678998      8.185027
  C      -0.375846     -5.866107      9.161969
  C       1.078947     -4.329777      7.840405
  C      -1.054110     -5.020585      6.822286
  C      -2.458663     -5.671431      6.646036
  C      -3.555273     -4.962550      7.443809
  C      -2.493645     -7.155313      7.085066
  H       0.690703      1.332887      1.252648
  H       1.884236      0.442309      2.213249
  H       1.728229      0.114931      0.477306
  H       0.652337     -1.686891      1.879947
  H      -0.338758     -0.472033      2.686298
  H      -2.680929      0.149952     -0.149124
  H      -2.139276      0.777156      1.424118
  H      -1.191623      1.101899     -0.039192
  H       0.317828     -2.182042     -0.593929
  H       0.224433     -0.476593     -1.100398
  H      -1.135363     -1.568428     -1.420846
  H      -2.702806     -2.121538      0.278343
  H      -1.300476     -3.070195      0.798022
  H      -1.049180     -1.843133      3.964649
  H      -0.606845     -3.277837      3.008889
  H      -1.864868     -3.391471      4.266207
  H      -3.957348     -1.376273      3.700941
  H      -2.663772     -0.312231      3.112435
  H      -3.985595     -0.818486      2.011836
  H      -6.216744     -2.844462     -0.176783
  H      -7.944097     -3.141373     -0.459215
  H      -7.438108     -1.838449      0.650493
  H      -6.405611     -3.546646      2.214218
  H      -6.868287     -4.854990      1.130044
  H      -9.484747     -2.101916      1.849133
  H      -9.929488     -2.805086      3.429599
  H      -8.337187     -2.034819      3.208281
  H     -10.516345     -4.846601      1.872865
  H      -9.207312     -5.655547      0.953481
  H      -9.788174     -4.031654      0.461012
  H      -8.312020     -6.044303      3.020352
  H      -9.298118     -5.003694      4.030507
  H      -6.681407     -5.973670      6.335206
  H      -7.845563     -6.893445      5.333310
  H      -8.411421     -5.491872      6.281443
  H      -8.170262     -3.200400      5.404080
  H      -6.526771     -3.488915      6.012621
  H      -6.756312     -2.777192      4.399828
  H      -0.188353     -3.576784     10.836067
  H       0.617734     -2.401340      9.773745
  H      -0.970605     -2.028414     10.467311
  H      -1.184162     -2.671084      8.050308
  H      -2.089740     -3.721826      9.129508
  H      -0.003865     -6.779410      8.672207
  H      -1.382163     -6.074410      9.558027
  H       0.282743     -5.662716     10.019655
  H       1.574425     -5.179058      7.343335
  H       1.659534     -4.090256      8.742239
  H       1.127739     -3.462626      7.160236
  H      -0.339194     -5.668835      6.283920
  H      -1.096115     -4.075743      6.253138
  H      -3.463140     -5.218311      8.509409
  H      -3.518371     -3.875364      7.340256
  H      -4.547739     -5.293556      7.094088
  H      -3.423603     -7.612323      6.712044
  H      -1.638403     -7.744872      6.721450
  H      -2.493229     -7.237349      8.179820
  N      -4.276000     -3.098682      5.105768
  N      -4.345092     -2.167474      5.917549
  H      -4.880321     -1.382387      5.530400
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.604943844328
  N      -3.460496     -3.559335      2.343850
  C      -3.564529     -4.407702      1.150746
  C      -2.938635     -5.778033      1.397056
  N      -3.592235     -6.359070      2.595195
  C      -4.925703     -6.932491      2.301380
  C      -5.814238     -6.762858      3.515018
  N      -5.831338     -5.351138      3.951810
  Mo     -3.992185     -4.554878      4.042095
  N      -2.724792     -5.676383      5.135674
  C      -1.852383     -6.518493      4.295362
  C      -2.716344     -7.306502      3.322996
  H      -1.269598     -7.233387      4.891163
  H      -1.106426     -5.911635      3.744444
  H      -3.352891     -8.001509      3.891165
  H      -2.110035     -7.897658      2.610620
  H      -6.823252     -7.108594      3.236098
  H      -5.474960     -7.433584      4.327598
  H      -5.365233     -6.372359      1.466758
  H      -4.839941     -7.991772      1.996952
  H      -3.127328     -3.961063      0.251393
  H      -4.632500     -4.551432      0.904998
  H      -1.868165     -5.652989      1.623382
  H      -3.036307     -6.461073      0.528196
  C       1.222173      0.407400      1.262222
  C       0.205320     -0.673636      1.652013
  C      -0.926731     -0.941394      0.627148
  C      -1.756580      0.335501      0.396295
  C      -0.306969     -1.331731     -0.732898
  C      -1.829327     -2.164068      1.007425
  C      -2.479916     -2.403654      2.403089
  C      -1.393341     -2.770671      3.454423
  C      -3.271676     -1.154845      2.839853
  C      -7.283478     -2.735820      0.447276
  C      -7.218164     -3.775554      1.560181
  C      -8.519418     -4.009248      2.355878
  C      -9.078211     -2.681813      2.890406
  C      -9.589176     -4.616441      1.432271
  C      -8.309036     -5.053220      3.486988
  C      -7.159512     -4.976512      4.533486
  C      -7.496519     -5.975917      5.664820
  C      -7.097244     -3.599453      5.177653
  C      -0.579172     -2.739075     10.002463
  C      -1.205002     -3.401365      8.773780
  C      -0.472896     -4.646793      8.213445
  C      -0.510439     -5.799124      9.227040
  C       0.997950     -4.287833      7.948882
  C      -1.056961     -5.043850      6.828653
  C      -2.440654     -5.720995      6.606867
  C      -3.569510     -4.996204      7.337783
  C      -2.486564     -7.195148      7.081565
  H       0.736839      1.380235      1.094564
  H       1.965464      0.541818      2.070208
  H       1.778373      0.150916      0.345841
  H       0.744111     -1.618799      1.835742
  H      -0.251099     -0.391234      2.614393
  H      -2.649538      0.117235     -0.215230
  H      -2.094719      0.791066      1.336844
  H      -1.160491      1.087369     -0.143896
  H       0.376498     -2.190068     -0.622785
  H       0.260254     -0.496981     -1.174089
  H      -1.096732     -1.614482     -1.451637
  H      -2.646060     -2.129936      0.266807
  H      -1.232421     -3.066008      0.776520
  H      -0.987087     -1.892428      3.968818
  H      -0.552117     -3.310414      2.989100
  H      -1.811829     -3.429145      4.235447
  H      -3.907383     -1.398639      3.698512
  H      -2.606527     -0.334445      3.136274
  H      -3.918252     -0.808102      2.018856
  H      -6.320645     -2.676658     -0.077966
  H      -8.050566     -2.969767     -0.298111
  H      -7.494848     -1.739465      0.842682
  H      -6.415808     -3.502304      2.250235
  H      -6.919167     -4.738469      1.130420
  H      -9.502821     -2.085566      2.071908
  H      -9.884311     -2.869429      3.614016
  H      -8.314479     -2.069958      3.384312
  H     -10.513254     -4.828003      1.990646
  H      -9.239044     -5.559865      0.993217
  H      -9.846133     -3.932393      0.613483
  H      -8.267586     -6.040526      3.005096
  H      -9.241247     -5.074724      4.073515
  H      -6.612032     -6.078741      6.312377
  H      -7.763969     -6.968753      5.282373
  H      -8.335906     -5.607714      6.266650
  H      -8.108550     -3.297690      5.470038
  H      -6.469928     -3.614056      6.076388
  H      -6.693263     -2.845953      4.500763
  H      -0.451713     -3.451014     10.832864
  H       0.404818     -2.300955      9.784215
  H      -1.224156     -1.925849     10.363516
  H      -1.282613     -2.653550      7.966050
  H      -2.238020     -3.681203      9.020556
  H      -0.102245     -6.726448      8.793518
  H      -1.532556     -6.006627      9.568371
  H       0.093022     -5.556099     10.113820
  H       1.529411     -5.147656      7.512460
  H       1.518954     -4.008783      8.873894
  H       1.077583     -3.442627      7.246080
  H      -0.309756     -5.694918      6.348318
  H      -1.082469     -4.116033      6.231907
  H      -3.525683     -5.226502      8.408249
  H      -3.535436     -3.905656      7.213201
  H      -4.537047     -5.344157      6.952896
  H      -3.392695     -7.672634      6.682753
  H      -1.616060     -7.787243      6.771884
  H      -2.532525     -7.247586      8.173933
  N      -4.211462     -3.175299      5.168152
  N      -4.280480     -2.240912      6.024583
  H      -4.822469     -1.378336      5.658438
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.609527117045
  N      -3.439398     -3.596021      2.370772
  C      -3.526869     -4.442459      1.180501
  C      -2.912526     -5.810172      1.446302
  N      -3.578163     -6.375110      2.638311
  C      -4.910103     -6.943751      2.338953
  C      -5.819284     -6.746394      3.539246
  N      -5.845741     -5.326630      3.949153
  Mo     -4.007763     -4.558160      4.066414
  N      -2.742244     -5.672544      5.172445
  C      -1.859597     -6.509221      4.346083
  C      -2.709762     -7.310969      3.379911
  H      -1.273240     -7.213978      4.952260
  H      -1.117152     -5.899920      3.795223
  H      -3.347688     -7.999717      3.952650
  H      -2.097011     -7.909256      2.679210
  H      -6.822675     -7.098777      3.255605
  H      -5.488454     -7.400788      4.369451
  H      -5.333780     -6.395747      1.487010
  H      -4.826819     -8.009348      2.055731
  H      -3.063266     -4.000799      0.290601
  H      -4.590513     -4.580766      0.909664
  H      -1.843967     -5.690303      1.680927
  H      -3.005906     -6.496417      0.581399
  C       1.122030      0.472245      1.257331
  C       0.132683     -0.632869      1.647647
  C      -0.985664     -0.936133      0.624802
  C      -1.849226      0.316913      0.385451
  C      -0.354044     -1.318297     -0.727703
  C      -1.853465     -2.179876      1.017727
  C      -2.489294     -2.418767      2.416051
  C      -1.387070     -2.748330      3.458464
  C      -3.303734     -1.185242      2.836698
  C      -7.253637     -2.793252      0.337672
  C      -7.202729     -3.787096      1.501386
  C      -8.511798     -3.974165      2.297032
  C      -9.052633     -2.618007      2.788643
  C      -9.586288     -4.591972      1.383308
  C      -8.325709     -4.990711      3.461332
  C      -7.175929     -4.917764      4.510405
  C      -7.535655     -5.893173      5.659831
  C      -7.087718     -3.526030      5.128307
  C      -0.490897     -2.817153     10.070816
  C      -1.157960     -3.442714      8.843953
  C      -0.443944     -4.673020      8.228216
  C      -0.441289     -5.846756      9.218789
  C       1.019653     -4.303609      7.918439
  C      -1.071051     -5.042011      6.851062
  C      -2.452150     -5.731195      6.640291
  C      -3.590273     -5.053578      7.405001
  C      -2.462422     -7.215577      7.080056
  H       0.614130      1.431556      1.081892
  H       1.853253      0.629135      2.064951
  H       1.688366      0.225044      0.349554
  H       0.692573     -1.563603      1.839636
  H      -0.334430     -0.356627      2.602487
  H      -2.727888      0.071188     -0.230945
  H      -2.208334      0.764259      1.319094
  H      -1.271199      1.085831     -0.150635
  H       0.347000     -2.159352     -0.611129
  H       0.193862     -0.471929     -1.169601
  H      -1.132572     -1.622239     -1.444902
  H      -2.673322     -2.178629      0.280434
  H      -1.234664     -3.068186      0.799529
  H      -0.977731     -1.847496      3.934981
  H      -0.550159     -3.290381      2.992400
  H      -1.780561     -3.393983      4.263110
  H      -3.913485     -1.425532      3.712204
  H      -2.650494     -0.338335      3.095418
  H      -3.976008     -0.878619      2.020272
  H      -6.284563     -2.764642     -0.181031
  H      -8.015051     -3.058476     -0.409046
  H      -7.467742     -1.773154      0.688092
  H      -6.403624     -3.487130      2.191924
  H      -6.903668     -4.776488      1.115795
  H      -9.453404     -2.034501      1.946551
  H      -9.873599     -2.768762      3.506679
  H      -8.283331     -2.009326      3.277312
  H     -10.517104     -4.770740      1.943627
  H      -9.248197     -5.556277      0.973608
  H      -9.827860     -3.927479      0.541354
  H      -8.305981     -5.995052      3.007949
  H      -9.262049     -4.972251      4.046607
  H      -6.648481     -5.995545      6.306040
  H      -7.815058     -6.890016      5.291604
  H      -8.371135     -5.503563      6.257452
  H      -8.094534     -3.197881      5.419685
  H      -6.459191     -3.536901      6.025678
  H      -6.666795     -2.791329      4.432108
  H      -0.343907     -3.550005     10.878433
  H       0.489528     -2.379850      9.834248
  H      -1.120900     -2.009633     10.472232
  H      -1.257983     -2.674493      8.058198
  H      -2.183673     -3.725861      9.114934
  H      -0.040382     -6.759232      8.751480
  H      -1.452243     -6.069091      9.589169
  H       0.188937     -5.619976     10.091561
  H       1.540771     -5.151669      7.447631
  H       1.571651     -4.040159      8.831598
  H       1.072368     -3.446099      7.228326
  H      -0.329185     -5.674789      6.333794
  H      -1.120394     -4.101929      6.275792
  H      -3.521612     -5.307280      8.469717
  H      -3.585662     -3.963433      7.305073
  H      -4.558043     -5.416706      7.028758
  H      -3.370223     -7.695584      6.687459
  H      -1.587599     -7.786663      6.741080
  H      -2.486370     -7.294350      8.172217
  N      -4.204300     -3.162648      5.161935
  N      -4.228000     -2.265893      6.034055
  H      -4.708054     -1.409417      5.677696
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.610260113704
  N      -3.424063     -3.623237      2.405918
  C      -3.532076     -4.453734      1.205419
  C      -2.939289     -5.832342      1.456050
  N      -3.596376     -6.394350      2.651129
  C      -4.940901     -6.941208      2.360049
  C      -5.844175     -6.727427      3.561447
  N      -5.852353     -5.306748      3.970973
  Mo     -4.004227     -4.578390      4.091414
  N      -2.731111     -5.710992      5.172786
  C      -1.858956     -6.542157      4.331956
  C      -2.727688     -7.339774      3.377792
  H      -1.259536     -7.244989      4.925114
  H      -1.129522     -5.928561      3.770880
  H      -3.363336     -8.021127      3.960339
  H      -2.132149     -7.944426      2.668394
  H      -6.853155     -7.068658      3.280674
  H      -5.517154     -7.384145      4.390091
  H      -5.356431     -6.388915      1.507233
  H      -4.878370     -8.009082      2.080709
  H      -3.055616     -4.013656      0.322366
  H      -4.597469     -4.569950      0.929291
  H      -1.866260     -5.731875      1.676572
  H      -3.056404     -6.509742      0.587097
  C       1.090342      0.435638      1.250567
  C       0.100616     -0.660563      1.635784
  C      -1.046427     -0.921411      0.633254
  C      -1.910735      0.344663      0.458377
  C      -0.457095     -1.274846     -0.754418
  C      -1.904146     -2.164687      1.019898
  C      -2.500320     -2.424408      2.433189
  C      -1.362868     -2.738604      3.442230
  C      -3.323841     -1.206000      2.879105
  C      -7.143898     -2.868807      0.298196
  C      -7.134651     -3.821241      1.498151
  C      -8.464643     -3.957029      2.268987
  C      -8.982002     -2.577713      2.719159
  C      -9.536724     -4.571859      1.348435
  C      -8.319204     -4.946407      3.462249
  C      -7.177693     -4.869151      4.519727
  C      -7.556916     -5.813832      5.688975
  C      -7.068516     -3.464732      5.107932
  C      -0.569666     -2.814751     10.064064
  C      -1.201662     -3.453886      8.825684
  C      -0.446380     -4.661894      8.216170
  C      -0.412626     -5.834469      9.208526
  C       1.006662     -4.248288      7.908028
  C      -1.063894     -5.049802      6.840539
  C      -2.428496     -5.772493      6.638357
  C      -3.577252     -5.127576      7.419232
  C      -2.398535     -7.256723      7.079270
  H       0.589273      1.406855      1.118287
  H       1.842479      0.558010      2.044251
  H       1.629277      0.202881      0.316031
  H       0.655784     -1.603106      1.785274
  H      -0.337829     -0.401016      2.616238
  H      -2.802367      0.127641     -0.148828
  H      -2.248378      0.763858      1.418835
  H      -1.341533      1.123933     -0.065722
  H       0.236694     -2.130707     -0.685774
  H       0.089192     -0.427207     -1.184482
  H      -1.258390     -1.543124     -1.461496
  H      -2.742710     -2.150133      0.304059
  H      -1.289809     -3.048909      0.768611
  H      -0.935009     -1.829056      3.887446
  H      -0.541768     -3.285760      2.949619
  H      -1.723465     -3.377245      4.267530
  H      -3.903271     -1.449752      3.772634
  H      -2.676335     -0.348857      3.112954
  H      -4.025161     -0.914692      2.081445
  H      -6.161680     -2.875295     -0.197747
  H      -7.892588     -3.148324     -0.459926
  H      -7.352561     -1.833851      0.608641
  H      -6.347230     -3.509589      2.200835
  H      -6.840160     -4.828523      1.152626
  H      -9.343276     -1.999537      1.853396
  H      -9.827382     -2.690683      3.416521
  H      -8.208795     -1.982781      3.219844
  H     -10.479980     -4.719401      1.896940
  H      -9.210462     -5.551087      0.964591
  H      -9.752914     -3.921369      0.487566
  H      -8.314620     -5.963117      3.035333
  H      -9.262334     -4.890795      4.035597
  H      -6.671498     -5.909596      6.342322
  H      -7.843072     -6.816816      5.340915
  H      -8.392636     -5.402082      6.272850
  H      -8.071950     -3.108617      5.379557
  H      -6.451082     -3.471037      6.014168
  H      -6.621251     -2.753046      4.403020
  H      -0.419588     -3.545140     10.873629
  H       0.404267     -2.354689      9.844612
  H      -1.224227     -2.022252     10.454905
  H      -1.312516     -2.685374      8.041039
  H      -2.223597     -3.766302      9.080506
  H       0.020496     -6.734397      8.745237
  H      -1.419034     -6.089597      9.571569
  H       0.203863     -5.586902     10.085686
  H       1.555118     -5.082909      7.444350
  H       1.548322     -3.962220      8.821311
  H       1.035042     -3.393039      7.212490
  H      -0.309398     -5.665780      6.320329
  H      -1.138174     -4.111745      6.264089
  H      -3.488486     -5.379439      8.487040
  H      -3.602780     -4.037312      7.320101
  H      -4.541357     -5.520840      7.053352
  H      -3.300304     -7.759877      6.696083
  H      -1.513429     -7.808227      6.734391
  H      -2.410170     -7.332946      8.173720
  N      -4.158302     -3.203456      5.206844
  N      -4.137400     -2.343089      6.116246
  H      -4.562802     -1.463743      5.790104
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.611643006289
  N      -3.364642     -3.666318      2.412297
  C      -3.485536     -4.492227      1.208469
  C      -2.928413     -5.882468      1.465746
  N      -3.593336     -6.425843      2.666078
  C      -4.948332     -6.952219      2.378540
  C      -5.851245     -6.715716      3.576472
  N      -5.841910     -5.290269      3.976479
  Mo     -3.978112     -4.600035      4.098159
  N      -2.717074     -5.751974      5.180513
  C      -1.851905     -6.588335      4.337761
  C      -2.734333     -7.383121      3.391727
  H      -1.248415     -7.289776      4.929882
  H      -1.126407     -5.978442      3.767279
  H      -3.376774     -8.049524      3.984398
  H      -2.153716     -8.001134      2.681735
  H      -6.864012     -7.047987      3.296477
  H      -5.532315     -7.369766      4.411857
  H      -5.350065     -6.401432      1.517065
  H      -4.903343     -8.024020      2.111567
  H      -2.985112     -4.067911      0.331480
  H      -4.550564     -4.581906      0.920411
  H      -1.852282     -5.804603      1.681428
  H      -3.064052     -6.559629      0.600363
  C       0.996929      0.562248      1.186699
  C       0.043970     -0.561336      1.599516
  C      -1.078265     -0.907245      0.597769
  C      -1.990405      0.313553      0.373991
  C      -0.459609     -1.271050     -0.766292
  C      -1.885216     -2.180183      1.008947
  C      -2.465636     -2.447119      2.426306
  C      -1.316431     -2.741062      3.423138
  C      -3.306437     -1.243451      2.875695
  C      -7.117147     -2.863601      0.288406
  C      -7.113737     -3.802283      1.496528
  C      -8.440727     -3.913619      2.278825
  C      -8.929177     -2.522720      2.726562
  C      -9.531325     -4.518426      1.372863
  C      -8.304172     -4.897513      3.476632
  C      -7.157645     -4.828842      4.528293
  C      -7.553882     -5.757713      5.707003
  C      -7.020534     -3.417273      5.104143
  C      -0.661868     -2.858656     10.108037
  C      -1.262542     -3.494075      8.852116
  C      -0.473742     -4.678285      8.238296
  C      -0.419083     -5.857551      9.221512
  C       0.971219     -4.228689      7.942020
  C      -1.075651     -5.068213      6.857126
  C      -2.420972     -5.822760      6.646590
  C      -3.590797     -5.223043      7.435649
  C      -2.348587     -7.309805      7.072036
  H       0.465262      1.506325      1.006381
  H       1.728658      0.747830      1.983454
  H       1.559049      0.315386      0.277830
  H       0.630818     -1.473618      1.793308
  H      -0.417312     -0.283136      2.556805
  H      -2.859580      0.041115     -0.242750
  H      -2.362870      0.741687      1.312353
  H      -1.443357      1.105587     -0.157424
  H       0.265468     -2.093381     -0.664839
  H       0.057190     -0.410344     -1.213788
  H      -1.240648     -1.593146     -1.471396
  H      -2.727792     -2.210825      0.298631
  H      -1.238440     -3.042879      0.768973
  H      -0.880428     -1.825579      3.844834
  H      -0.506830     -3.298831      2.925479
  H      -1.665609     -3.368778      4.258506
  H      -3.872086     -1.491392      3.773649
  H      -2.673609     -0.374391      3.095730
  H      -4.018615     -0.969355      2.086819
  H      -6.138294     -2.887966     -0.215449
  H      -7.874464     -3.144220     -0.458605
  H      -7.308991     -1.823042      0.586847
  H      -6.318607     -3.491133      2.188763
  H      -6.835709     -4.816092      1.160447
  H      -9.279708     -1.939659      1.861633
  H      -9.775642     -2.618016      3.425196
  H      -8.143001     -1.940146      3.223560
  H     -10.470971     -4.652219      1.932524
  H      -9.223368     -5.504178      0.988698
  H      -9.747038     -3.867754      0.513112
  H      -8.315019     -5.917411      3.055470
  H      -9.243958     -4.824585      4.053475
  H      -6.674923     -5.859964      6.366539
  H      -7.854614     -6.761427      5.370103
  H      -8.387359     -5.325917      6.281866
  H      -8.017244     -3.038046      5.373776
  H      -6.402159     -3.426972      6.010568
  H      -6.557440     -2.721028      4.391534
  H      -0.513705     -3.595286     10.912270
  H       0.307943     -2.380103      9.910208
  H      -1.336063     -2.081169     10.495787
  H      -1.378797     -2.717795      8.075821
  H      -2.281343     -3.831366      9.088178
  H       0.041967     -6.741854      8.755368
  H      -1.422099     -6.141690      9.572767
  H       0.182105     -5.601271     10.106441
  H       1.543179     -5.047961      7.479382
  H       1.499225     -3.933152      8.859959
  H       0.983886     -3.370576      7.250016
  H      -0.306733     -5.662145      6.330738
  H      -1.171059     -4.127372      6.288892
  H      -3.498195     -5.487243      8.500136
  H      -3.647905     -4.134116      7.354092
  H      -4.539714     -5.642955      7.061848
  H      -3.234072     -7.835752      6.681297
  H      -1.446445     -7.831924      6.724914
  H      -2.361049     -7.396015      8.165759
  N      -4.106574     -3.207989      5.199678
  N      -4.050071     -2.335659      6.088952
  H      -4.412319     -1.433304      5.745243
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.612646989771
  N      -3.290072     -3.711525      2.431601
  C      -3.425905     -4.532150      1.224137
  C      -2.916267     -5.938289      1.487603
  N      -3.596158     -6.462591      2.690638
  C      -4.958991     -6.960843      2.400230
  C      -5.861797     -6.701865      3.591632
  N      -5.823938     -5.276293      3.985905
  Mo     -3.942645     -4.624291      4.115185
  N      -2.708356     -5.800070      5.201868
  C      -1.856042     -6.652177      4.360631
  C      -2.755819     -7.437652      3.419022
  H      -1.255204     -7.355525      4.955439
  H      -1.128783     -6.052533      3.779714
  H      -3.412383     -8.084023      4.019553
  H      -2.193046     -8.071725      2.709107
  H      -6.879496     -7.015401      3.308553
  H      -5.561175     -7.357426      4.434820
  H      -5.339555     -6.407163      1.530254
  H      -4.934517     -8.035204      2.142245
  H      -2.895381     -4.126388      0.356313
  H      -4.488486     -4.586726      0.921045
  H      -1.837925     -5.890111      1.701872
  H      -3.072194     -6.613018      0.625359
  C       0.894487      0.705905      1.080987
  C       0.005204     -0.462654      1.539046
  C      -1.127376     -0.875285      0.568198
  C      -2.106039      0.300144      0.352838
  C      -0.519457     -1.215716     -0.808743
  C      -1.872051     -2.183929      1.005637
  C      -2.425674     -2.467018      2.430432
  C      -1.262554     -2.732164      3.415094
  C      -3.296684     -1.288838      2.885301
  C      -7.073594     -2.876141      0.243384
  C      -7.072789     -3.784070      1.475298
  C      -8.399193     -3.871601      2.260772
  C      -8.874152     -2.467400      2.685417
  C      -9.496448     -4.478112      1.362307
  C      -8.278699     -4.843608      3.473122
  C      -7.132767     -4.793247      4.531119
  C      -7.555348     -5.714808      5.704899
  C      -6.971599     -3.388330      5.109730
  C      -0.653124     -2.874443     10.138808
  C      -1.263659     -3.505105      8.883434
  C      -0.495874     -4.707448      8.277187
  C      -0.455122     -5.872166      9.274427
  C       0.953771     -4.280522      7.977747
  C      -1.096132     -5.105561      6.894383
  C      -2.434966     -5.870891      6.671254
  C      -3.630439     -5.289658      7.434480
  C      -2.350973     -7.356665      7.093814
  H       0.310514      1.623749      0.898108
  H       1.640110      0.938066      1.858136
  H       1.450561      0.475408      0.159483
  H       0.645016     -1.343153      1.733613
  H      -0.450973     -0.195144      2.504359
  H      -2.973804     -0.016227     -0.250062
  H      -2.486151      0.711726      1.295683
  H      -1.604595      1.120176     -0.192811
  H       0.248090     -2.003764     -0.717015
  H      -0.051455     -0.332076     -1.277339
  H      -1.303226     -1.577823     -1.493612
  H      -2.724834     -2.252323      0.309785
  H      -1.195370     -3.021161      0.760317
  H      -0.824516     -1.809748      3.813843
  H      -0.463374     -3.298130      2.915280
  H      -1.599995     -3.348680      4.261280
  H      -3.839510     -1.550689      3.797576
  H      -2.686093     -0.397915      3.085107
  H      -4.034517     -1.039602      2.109348
  H      -6.093895     -2.916933     -0.258024
  H      -7.831478     -3.176104     -0.497750
  H      -7.261713     -1.824057      0.512241
  H      -6.276657     -3.456668      2.160406
  H      -6.799200     -4.810010      1.164809
  H      -9.213228     -1.892982      1.810971
  H      -9.724454     -2.542710      3.380010
  H      -8.085166     -1.885384      3.178211
  H     -10.436289     -4.597109      1.924739
  H      -9.197876     -5.472169      0.988857
  H      -9.708084     -3.835203      0.495215
  H      -8.305886     -5.866718      3.062138
  H      -9.219882     -4.748030      4.043485
  H      -6.691255     -5.832424      6.377303
  H      -7.870373     -6.712247      5.366020
  H      -8.389077     -5.267422      6.265709
  H      -7.961903     -2.985021      5.366964
  H      -6.363521     -3.412879      6.021731
  H      -6.483219     -2.706256      4.403302
  H      -0.528862     -3.606513     10.950089
  H       0.329589     -2.421096      9.942995
  H      -1.310153     -2.077264     10.518861
  H      -1.362462     -2.734002      8.101475
  H      -2.287937     -3.821068      9.119582
  H      -0.000406     -6.764598      8.819651
  H      -1.459294     -6.143550      9.627780
  H       0.145073     -5.608752     10.158537
  H       1.516505     -5.112438      7.527569
  H       1.481595     -3.974965      8.893468
  H       0.979216     -3.435773      7.273354
  H      -0.326144     -5.699963      6.370102
  H      -1.188836     -4.169540      6.322181
  H      -3.566421     -5.554250      8.495667
  H      -3.704948     -4.204294      7.359203
  H      -4.552481     -5.728938      7.034154
  H      -3.214459     -7.898316      6.682304
  H      -1.433463     -7.863770      6.767515
  H      -2.389171     -7.442068      8.183995
  N      -4.048498     -3.230181      5.232784
  N      -3.954087     -2.359767      6.124116
  H      -4.272131     -1.436500      5.799052
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.613646122730
  N      -3.252351     -3.743498      2.441007
  C      -3.401831     -4.553848      1.227664
  C      -2.922905     -5.970108      1.487981
  N      -3.610233     -6.486783      2.690492
  C      -4.978203     -6.965161      2.396903
  C      -5.877301     -6.698810      3.587784
  N      -5.816825     -5.277467      3.987806
  Mo     -3.926306     -4.649293      4.119343
  N      -2.704455     -5.841078      5.198077
  C      -1.865276     -6.697463      4.350171
  C      -2.779590     -7.474577      3.413950
  H      -1.260585     -7.401125      4.939606
  H      -1.143503     -6.100743      3.759894
  H      -3.441218     -8.110785      4.018719
  H      -2.230836     -8.114371      2.699210
  H      -6.898425     -6.996543      3.303622
  H      -5.587119     -7.360179      4.428930
  H      -5.347219     -6.404377      1.527686
  H      -4.968175     -8.038638      2.136226
  H      -2.849745     -4.158193      0.368390
  H      -4.461747     -4.582334      0.913591
  H      -1.844215     -5.942974      1.700278
  H      -3.093776     -6.638509      0.623885
  C       0.843226      0.715318      1.114158
  C      -0.043769     -0.451385      1.555261
  C      -1.149467     -0.878615      0.569812
  C      -2.135938      0.281230      0.344656
  C      -0.522669     -1.216391     -0.793862
  C      -1.878790     -2.193245      0.997019
  C      -2.418020     -2.479142      2.423492
  C      -1.241458     -2.715635      3.397110
  C      -3.305732     -1.315611      2.876789
  C      -7.041058     -2.895805      0.230215
  C      -7.054036     -3.792000      1.468041
  C      -8.371058     -3.837026      2.270435
  C      -8.798707     -2.418733      2.690742
  C      -9.495290     -4.415663      1.390410
  C      -8.267858     -4.804795      3.486904
  C      -7.114649     -4.777820      4.537745
  C      -7.548862     -5.694517      5.708430
  C      -6.928719     -3.378875      5.117348
  C      -0.732224     -2.862753     10.131388
  C      -1.321743     -3.509862      8.874399
  C      -0.513965     -4.684831      8.265337
  C      -0.425304     -5.848336      9.264197
  C       0.919699     -4.206296      7.956528
  C      -1.109480     -5.100239      6.885430
  C      -2.427710     -5.905038      6.667198
  C      -3.641790     -5.359503      7.427348
  C      -2.295838     -7.386257      7.094613
  H       0.263988      1.627242      0.912803
  H       1.563937      0.958820      1.903508
  H       1.418631      0.477881      0.212302
  H       0.593492     -1.324843      1.765558
  H      -0.517680     -0.178909      2.506410
  H      -2.983742     -0.046420     -0.273687
  H      -2.537598      0.684649      1.280143
  H      -1.639724      1.107049     -0.185759
  H       0.245753     -1.996115     -0.692195
  H      -0.058094     -0.332479     -1.253050
  H      -1.290420     -1.586422     -1.487375
  H      -2.729688     -2.268625      0.303117
  H      -1.194884     -3.021275      0.748333
  H      -0.804378     -1.783474      3.773709
  H      -0.447749     -3.285897      2.894434
  H      -1.564995     -3.324189      4.253684
  H      -3.831865     -1.580097      3.797141
  H      -2.710434     -0.409121      3.059857
  H      -4.059377     -1.088390      2.108867
  H      -6.070607     -2.967854     -0.282464
  H      -7.814107     -3.179317     -0.496097
  H      -7.193259     -1.838821      0.488981
  H      -6.242782     -3.482646      2.138346
  H      -6.815469     -4.824450      1.165418
  H      -9.125788     -1.837911      1.817321
  H      -9.644970     -2.465896      3.391225
  H      -7.989612     -1.859530      3.173618
  H     -10.429648     -4.507340      1.965366
  H      -9.229981     -5.417788      1.017997
  H      -9.700043     -3.770612      0.524364
  H      -8.323027     -5.827876      3.081974
  H      -9.202919     -4.682355      4.059983
  H      -6.686015     -5.827172      6.378491
  H      -7.882029     -6.684965      5.368499
  H      -8.373202     -5.234905      6.269864
  H      -7.910212     -2.959433      5.377943
  H      -6.315872     -3.413718      6.025078
  H      -6.432380     -2.706187      4.408849
  H      -0.588646     -3.591564     10.943868
  H       0.237359     -2.379749      9.938534
  H      -1.413930     -2.086062     10.510259
  H      -1.446891     -2.740298      8.092801
  H      -2.335104     -3.860774      9.109995
  H       0.063573     -6.722744      8.809809
  H      -1.418599     -6.159451      9.621401
  H       0.166865     -5.560849     10.146893
  H       1.510672     -5.018538      7.506428
  H       1.441762     -3.878595      8.868393
  H       0.910646     -3.363013      7.247669
  H      -0.326237     -5.672688      6.355657
  H      -1.232845     -4.167097      6.313319
  H      -3.568720     -5.613767      8.493573
  H      -3.754619     -4.274527      7.342165
  H      -4.547373     -5.840860      7.027896
  H      -3.137996     -7.961413      6.682007
  H      -1.359461     -7.860901      6.773132
  H      -2.335073     -7.468836      8.185664
  N      -4.012628     -3.264455      5.252224
  N      -3.893443     -2.408928      6.160399
  H      -4.139952     -1.444381      5.837948
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.614670092516
  N      -3.188201     -3.788445      2.459295
  C      -3.358735     -4.588141      1.241566
  C      -2.914571     -6.015829      1.498548
  N      -3.609740     -6.520516      2.701275
  C      -4.987150     -6.971741      2.406441
  C      -5.880823     -6.690498      3.598259
  N      -5.783057     -5.274257      4.005348
  Mo     -3.879911     -4.682516      4.133048
  N      -2.677677     -5.893700      5.204037
  C      -1.858919     -6.760964      4.348991
  C      -2.793328     -7.523774      3.420581
  H      -1.256991     -7.470474      4.931834
  H      -1.137373     -6.173637      3.749025
  H      -3.463033     -8.146496      4.029861
  H      -2.261921     -8.172763      2.701104
  H      -6.909239     -6.960718      3.312736
  H      -5.608670     -7.362584      4.435054
  H      -5.343669     -6.400205      1.540325
  H      -4.999220     -8.044585      2.140420
  H      -2.786199     -4.206464      0.389442
  H      -4.416713     -4.586484      0.918891
  H      -1.835424     -6.015400      1.707247
  H      -3.104769     -6.677822      0.632564
  C       0.735639      0.788807      0.983823
  C      -0.101172     -0.400032      1.464275
  C      -1.227849     -0.870059      0.514412
  C      -2.268717      0.249567      0.314561
  C      -0.636096     -1.191792     -0.874806
  C      -1.900365     -2.207688      0.971351
  C      -2.391930     -2.501519      2.417586
  C      -1.186926     -2.707785      3.367390
  C      -3.298390     -1.358131      2.891400
  C      -6.923584     -2.913287      0.227614
  C      -6.974536     -3.796351      1.470940
  C      -8.284748     -3.770654      2.284345
  C      -8.633667     -2.333979      2.702154
  C      -9.443952     -4.293311      1.418688
  C      -8.221651     -4.733169      3.505239
  C      -7.066719     -4.735822      4.553595
  C      -7.528624     -5.629859      5.731185
  C      -6.848583     -3.333968      5.116359
  C      -0.947120     -2.931281     10.191471
  C      -1.455922     -3.582379      8.905412
  C      -0.563158     -4.694922      8.298144
  C      -0.428922     -5.875001      9.273435
  C       0.846396     -4.131746      8.027502
  C      -1.115397     -5.109511      6.907273
  C      -2.400769     -5.957089      6.673860
  C      -3.632585     -5.452626      7.434418
  C      -2.215559     -7.432002      7.103821
  H       0.119991      1.680478      0.793054
  H       1.477294      1.060476      1.751527
  H       1.292074      0.561666      0.061448
  H       0.572683     -1.250489      1.661290
  H      -0.554430     -0.135526      2.433493
  H      -3.124743     -0.115436     -0.276916
  H      -2.658089      0.639746      1.263227
  H      -1.823464      1.091760     -0.237437
  H       0.165834     -1.943418     -0.796518
  H      -0.219074     -0.295691     -1.357106
  H      -1.418345     -1.592611     -1.540495
  H      -2.769353     -2.311992      0.299651
  H      -1.195479     -3.014215      0.705015
  H      -0.746463     -1.764900      3.715730
  H      -0.402337     -3.285270      2.853158
  H      -1.490238     -3.302756      4.243001
  H      -3.797763     -1.633842      3.823047
  H      -2.721810     -0.437766      3.062018
  H      -4.075840     -1.147945      2.140411
  H      -5.963726     -3.037344     -0.293167
  H      -7.714026     -3.160236     -0.486977
  H      -7.017659     -1.852283      0.476687
  H      -6.145342     -3.524951      2.130387
  H      -6.791404     -4.836277      1.176400
  H      -8.932598     -1.737592      1.829500
  H      -9.478393     -2.335724      3.406763
  H      -7.793186     -1.819649      3.179216
  H     -10.375620     -4.339165      2.003017
  H      -9.232210     -5.305405      1.046630
  H      -9.625122     -3.640869      0.554438
  H      -8.317024     -5.756289      3.109587
  H      -9.151034     -4.568380      4.076513
  H      -6.670480     -5.776906      6.406914
  H      -7.886077     -6.615416      5.398993
  H      -8.343939     -5.143690      6.284459
  H      -7.819842     -2.886473      5.368843
  H      -6.236468     -3.369863      6.025080
  H      -6.336249     -2.682955      4.397842
  H      -0.789025     -3.668463     10.994071
  H      -0.001674     -2.390554     10.042245
  H      -1.683635     -2.202620     10.559624
  H      -1.605356     -2.803410      8.137239
  H      -2.454000     -3.998961      9.100546
  H       0.122969     -6.710662      8.816033
  H      -1.411131     -6.250912      9.599127
  H       0.123191     -5.572617     10.174577
  H       1.492256     -4.901953      7.577910
  H       1.331117     -3.792444      8.951623
  H       0.801706     -3.277207      7.332113
  H      -0.305925     -5.645768      6.379535
  H      -1.272106     -4.172929      6.347533
  H      -3.548615     -5.702228      8.504515
  H      -3.781229     -4.369881      7.347064
  H      -4.522881     -5.969126      7.034447
  H      -3.027677     -8.044514      6.682837
  H      -1.255557     -7.865654      6.794470
  H      -2.263687     -7.514500      8.195664
  N      -3.928920     -3.303622      5.267774
  N      -3.784466     -2.465159      6.191521
  H      -3.995600     -1.493574      5.894417
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.615846925280
  N      -3.127907     -3.834648      2.479511
  C      -3.306999     -4.627660      1.257971
  C      -2.909059     -6.068572      1.521121
  N      -3.627502     -6.554652      2.717824
  C      -5.012982     -6.972256      2.409554
  C      -5.910027     -6.674259      3.595726
  N      -5.771967     -5.265744      4.011169
  Mo     -3.854739     -4.713701      4.146242
  N      -2.684972     -5.947281      5.222005
  C      -1.890568     -6.840178      4.369604
  C      -2.843332     -7.580132      3.443106
  H      -1.305416     -7.562472      4.953309
  H      -1.156046     -6.273876      3.763678
  H      -3.534214     -8.181036      4.052011
  H      -2.327994     -8.245999      2.726426
  H      -6.945807     -6.909748      3.300007
  H      -5.666662     -7.360452      4.430424
  H      -5.348354     -6.386751      1.543964
  H      -5.048684     -8.043551      2.136947
  H      -2.704921     -4.266716      0.417904
  H      -4.359027     -4.593117      0.915112
  H      -1.831458     -6.100887      1.737513
  H      -3.112508     -6.724824      0.653526
  C       0.632496      0.869103      0.987087
  C      -0.166287     -0.341226      1.471106
  C      -1.271473     -0.852438      0.521430
  C      -2.351521      0.227101      0.318124
  C      -0.668627     -1.155729     -0.865323
  C      -1.896971     -2.212830      0.977965
  C      -2.370198     -2.523754      2.427347
  C      -1.154096     -2.700767      3.367221
  C      -3.301418     -1.402879      2.911638
  C      -6.887961     -2.920066      0.197310
  C      -6.931789     -3.772938      1.462932
  C      -8.250550     -3.738418      2.261652
  C      -8.606867     -2.295881      2.657968
  C      -9.403268     -4.274327      1.387388
  C      -8.195069     -4.685905      3.493676
  C      -7.044686     -4.694042      4.549661
  C      -7.529461     -5.570695      5.731129
  C      -6.808576     -3.289621      5.100655
  C      -0.936260     -2.924026     10.173748
  C      -1.451350     -3.592365      8.898118
  C      -0.558803     -4.705191      8.294054
  C      -0.408012     -5.871325      9.281496
  C       0.844257     -4.136605      8.004620
  C      -1.120818     -5.137370      6.911529
  C      -2.402944     -5.995886      6.692400
  C      -3.637894     -5.489268      7.447169
  C      -2.205530     -7.462728      7.140609
  H      -0.009399      1.737892      0.785050
  H       1.358625      1.171163      1.755851
  H       1.201175      0.651760      0.071730
  H       0.532313     -1.168153      1.675961
  H      -0.630397     -0.084733      2.436050
  H      -3.188692     -0.172779     -0.274652
  H      -2.758895      0.601881      1.264396
  H      -1.939850      1.084936     -0.232290
  H       0.158328     -1.878375     -0.786421
  H      -0.285338     -0.247126     -1.348645
  H      -1.435176     -1.585617     -1.528648
  H      -2.764243     -2.339624      0.310237
  H      -1.168170     -2.995784      0.703447
  H      -0.719327     -1.748865      3.695824
  H      -0.371545     -3.281993      2.853584
  H      -1.446524     -3.282475      4.252053
  H      -3.788697     -1.693283      3.839518
  H      -2.750135     -0.471629      3.085051
  H      -4.083424     -1.206676      2.168888
  H      -5.918491     -3.044081     -0.308646
  H      -7.671698     -3.200210     -0.524375
  H      -7.002090     -1.849386      0.419095
  H      -6.106716     -3.473713      2.128926
  H      -6.732706     -4.823995      1.193501
  H      -8.895638     -1.712680      1.771580
  H      -9.460827     -2.286219      3.351703
  H      -7.770682     -1.774522      3.141706
  H     -10.340194     -4.317182      1.963224
  H      -9.183965     -5.289776      1.025518
  H      -9.581778     -3.631315      0.515354
  H      -8.297758     -5.711987      3.106498
  H      -9.125127     -4.506552      4.057924
  H      -6.679133     -5.724574      6.417148
  H      -7.898510     -6.553504      5.402740
  H      -8.342749     -5.067937      6.273144
  H      -7.773788     -2.821850      5.338191
  H      -6.205569     -3.325335      6.015560
  H      -6.278526     -2.655809      4.379516
  H      -0.772072     -3.650297     10.984571
  H       0.006576     -2.382475     10.012603
  H      -1.672363     -2.193393     10.538137
  H      -1.612023     -2.824907      8.122308
  H      -2.445037     -4.013405      9.105951
  H       0.145212     -6.708165      8.828591
  H      -1.382725     -6.249476      9.620908
  H       0.149703     -5.552826     10.174128
  H       1.490170     -4.908584      7.559467
  H       1.334249     -3.780550      8.920757
  H       0.788709     -3.293235      7.297697
  H      -0.314157     -5.675042      6.383153
  H      -1.286513     -4.208607      6.343311
  H      -3.556331     -5.722020      8.521268
  H      -3.789651     -4.411223      7.346451
  H      -4.520860     -6.018842      7.050278
  H      -3.001291     -8.095741      6.717099
  H      -1.234537     -7.883039      6.848285
  H      -2.267365     -7.531466      8.232881
  N      -3.879399     -3.335403      5.276774
  N      -3.720116     -2.507805      6.204774
  H      -3.870481     -1.532368      5.902902
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.616801951460
  N      -3.063829     -3.895160      2.480112
  C      -3.231861     -4.690309      1.258280
  C      -2.872989     -6.137885      1.540149
  N      -3.623184     -6.602939      2.726571
  C      -5.009153     -7.001111      2.398561
  C      -5.917467     -6.688228      3.574769
  N      -5.755652     -5.283623      3.992183
  Mo     -3.827645     -4.758386      4.141609
  N      -2.696772     -6.003578      5.239884
  C      -1.916463     -6.923478      4.403903
  C      -2.874137     -7.642670      3.470142
  H      -1.358693     -7.659354      4.998770
  H      -1.159308     -6.382462      3.802281
  H      -3.590245     -8.222122      4.071173
  H      -2.363648     -8.325599      2.765599
  H      -6.953430     -6.902313      3.266883
  H      -5.698575     -7.380732      4.412204
  H      -5.326915     -6.409706      1.529255
  H      -5.054796     -8.071211      2.123536
  H      -2.597203     -4.350270      0.433075
  H      -4.273636     -4.634860      0.885707
  H      -1.800597     -6.194200      1.775859
  H      -3.074215     -6.794166      0.672456
  C       0.546074      0.921489      1.005145
  C      -0.209297     -0.318640      1.479653
  C      -1.302467     -0.847333      0.529033
  C      -2.417247      0.203404      0.348587
  C      -0.698369     -1.115924     -0.867000
  C      -1.885835     -2.229360      0.972775
  C      -2.352593     -2.555851      2.419161
  C      -1.135472     -2.691320      3.360751
  C      -3.319166     -1.460935      2.897452
  C      -6.877214     -2.888659      0.169285
  C      -6.922919     -3.751363      1.428451
  C      -8.220815     -3.678992      2.260239
  C      -8.518630     -2.226105      2.670941
  C      -9.409498     -4.170694      1.409709
  C      -8.172047     -4.639279      3.483027
  C      -7.017275     -4.689557      4.533674
  C      -7.522171     -5.576420      5.698852
  C      -6.752676     -3.299567      5.108636
  C      -0.939084     -2.879742     10.158274
  C      -1.474978     -3.579224      8.905783
  C      -0.578125     -4.684410      8.295274
  C      -0.382630     -5.831256      9.298381
  C       0.808478     -4.091950      7.970838
  C      -1.152568     -5.146153      6.923067
  C      -2.418615     -6.034840      6.711808
  C      -3.673702     -5.548957      7.448400
  C      -2.189993     -7.493124      7.170222
  H      -0.128578      1.772165      0.818327
  H       1.266774      1.235755      1.773236
  H       1.116406      0.733050      0.080682
  H       0.517674     -1.127979      1.667894
  H      -0.674424     -0.089103      2.454269
  H      -3.243414     -0.214776     -0.243600
  H      -2.831049      0.550642      1.305328
  H      -2.039180      1.081229     -0.192792
  H       0.152604     -1.814833     -0.804978
  H      -0.349758     -0.190156     -1.341437
  H      -1.454617     -1.560832     -1.529790
  H      -2.744792     -2.375997      0.302035
  H      -1.133303     -2.988216      0.694430
  H      -0.721334     -1.725903      3.672912
  H      -0.342670     -3.267247      2.860175
  H      -1.423101     -3.261500      4.252969
  H      -3.788744     -1.762281      3.833986
  H      -2.798742     -0.507658      3.057038
  H      -4.114898     -1.298947      2.159695
  H      -5.927897     -3.042021     -0.366210
  H      -7.687978     -3.133219     -0.530047
  H      -6.943971     -1.817563      0.400803
  H      -6.072932     -3.489464      2.074441
  H      -6.769581     -4.804542      1.145816
  H      -8.803234     -1.629053      1.793233
  H      -9.358382     -2.189834      3.382221
  H      -7.655303     -1.735564      3.137884
  H     -10.334461     -4.189470      2.007032
  H      -9.231804     -5.190267      1.034739
  H      -9.584520     -3.513767      0.547685
  H      -8.306444     -5.658826      3.085945
  H      -9.091573     -4.443018      4.059296
  H      -6.679632     -5.759936      6.384531
  H      -7.910480     -6.544761      5.351598
  H      -8.326917     -5.068443      6.248523
  H      -7.708638     -2.818675      5.357384
  H      -6.148245     -3.359810      6.019538
  H      -6.214045     -2.664133      4.394905
  H      -0.742231     -3.588792     10.977787
  H      -0.009244     -2.324996      9.964049
  H      -1.679031     -2.155548     10.529366
  H      -1.671491     -2.829530      8.120892
  H      -2.454312     -4.015066      9.147095
  H       0.176715     -6.664237      8.846342
  H      -1.341504     -6.222589      9.666049
  H       0.189032     -5.485274     10.173801
  H       1.459942     -4.858433      7.524671
  H       1.309889     -3.711797      8.874028
  H       0.723106     -3.261382      7.251321
  H      -0.339327     -5.673537      6.394818
  H      -1.340834     -4.228164      6.344567
  H      -3.597710     -5.766968      8.522607
  H      -3.847578     -4.475977      7.332675
  H      -4.537753     -6.101312      7.049224
  H      -2.957651     -8.151664      6.736183
  H      -1.200660     -7.883198      6.897953
  H      -2.270510     -7.559809      8.260127
  N      -3.837777     -3.365070      5.259673
  N      -3.671992     -2.530226      6.173192
  H      -3.769087     -1.559920      5.845456
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.617745962055
  N      -3.034300     -3.905646      2.517946
  C      -3.199978     -4.689973      1.289101
  C      -2.871419     -6.143846      1.569081
  N      -3.642032     -6.603211      2.744158
  C      -5.028521     -6.980540      2.399980
  C      -5.937583     -6.669702      3.574790
  N      -5.751139     -5.275267      4.009618
  Mo     -3.814157     -4.773450      4.169972
  N      -2.713982     -6.041982      5.267296
  C      -1.953399     -6.977643      4.432667
  C      -2.922430     -7.662752      3.488015
  H      -1.423829     -7.734941      5.024968
  H      -1.175589     -6.456500      3.842273
  H      -3.658802     -8.227753      4.075955
  H      -2.421512     -8.353531      2.785285
  H      -6.972879     -6.860663      3.256845
  H      -5.737617     -7.376700      4.403721
  H      -5.337621     -6.373185      1.538563
  H      -5.083692     -8.044407      2.107892
  H      -2.540845     -4.358699      0.477798
  H      -4.232611     -4.613274      0.895058
  H      -1.804401     -6.222425      1.817177
  H      -3.073383     -6.790646      0.694401
  C       0.395531      1.026872      0.932128
  C      -0.316569     -0.226000      1.448228
  C      -1.374364     -0.841269      0.506421
  C      -2.523106      0.151276      0.269265
  C      -0.743399     -1.133621     -0.867166
  C      -1.906510     -2.234562      0.990029
  C      -2.368917     -2.543043      2.439735
  C      -1.153769     -2.626598      3.388621
  C      -3.371242     -1.472094      2.890557
  C      -6.727741     -2.969382      0.127276
  C      -6.837564     -3.798677      1.414595
  C      -8.139699     -3.632843      2.233095
  C      -8.364049     -2.152979      2.609527
  C      -9.343909     -4.076109      1.377190
  C      -8.148839     -4.576341      3.475935
  C      -7.007226     -4.658749      4.541621
  C      -7.539209     -5.543067      5.696856
  C      -6.724618     -3.279765      5.130527
  C      -0.903561     -2.933366     10.204552
  C      -1.469565     -3.630157      8.963157
  C      -0.576134     -4.715395      8.311384
  C      -0.337872     -5.869730      9.295025
  C       0.793996     -4.101405      7.957183
  C      -1.173080     -5.170518      6.944317
  C      -2.429990     -6.073509      6.738138
  C      -3.693642     -5.604130      7.475236
  C      -2.177772     -7.526849      7.192597
  H      -0.310390      1.834247      0.696989
  H       1.089811      1.410418      1.695397
  H       0.985131      0.825441      0.028899
  H       0.436849     -0.994556      1.679638
  H      -0.799449      0.023066      2.403478
  H      -3.323553     -0.328198     -0.314700
  H      -2.959737      0.517489      1.203959
  H      -2.174641      1.021863     -0.300163
  H       0.135640     -1.785469     -0.769303
  H      -0.433368     -0.208876     -1.372999
  H      -1.470296     -1.642653     -1.518811
  H      -2.752136     -2.440432      0.315760
  H      -1.122309     -2.965724      0.740136
  H      -0.770072     -1.644377      3.685422
  H      -0.342058     -3.187762      2.904459
  H      -1.432724     -3.190556      4.289182
  H      -3.830261     -1.772670      3.835616
  H      -2.882842     -0.494115      3.029848
  H      -4.175141     -1.357699      2.148190
  H      -5.784287     -3.194568     -0.397837
  H      -7.544044     -3.180115     -0.577677
  H      -6.735179     -1.886760      0.333004
  H      -5.983243     -3.573882      2.068747
  H      -6.737995     -4.869024      1.155547
  H      -8.606393     -1.559424      1.711908
  H      -9.209565     -2.051824      3.312919
  H      -7.480206     -1.701874      3.075979
  H     -10.275305     -4.033529      1.967483
  H      -9.214356     -5.113762      1.022000
  H      -9.475547     -3.424700      0.497726
  H      -8.320683     -5.597006      3.090060
  H      -9.067662     -4.334833      4.042323
  H      -6.707591     -5.747414      6.390508
  H      -7.939959     -6.501473      5.336840
  H      -8.340914     -5.026663      6.244480
  H      -7.675367     -2.785373      5.372502
  H      -6.131711     -3.356675      6.047707
  H      -6.169447     -2.647557      4.428894
  H      -0.668322     -3.645056     11.010901
  H       0.011303     -2.362567      9.984560
  H      -1.643228     -2.223395     10.606965
  H      -1.706028     -2.879377      8.191693
  H      -2.432965     -4.083691      9.233612
  H       0.219617     -6.689452      8.817606
  H      -1.281387     -6.276859      9.685473
  H       0.253337     -5.524721     10.157727
  H       1.443363     -4.854163      7.483731
  H       1.314352     -3.726510      8.852215
  H       0.678909     -3.264849      7.250565
  H      -0.359403     -5.683452      6.399413
  H      -1.383050     -4.251223      6.376823
  H      -3.614151     -5.818321      8.547079
  H      -3.877680     -4.534975      7.355840
  H      -4.552946     -6.160981      7.078889
  H      -2.927442     -8.200129      6.750318
  H      -1.174866     -7.892364      6.929060
  H      -2.268328     -7.598860      8.281715
  N      -3.804736     -3.393951      5.305135
  N      -3.639512     -2.565461      6.228671
  H      -3.691733     -1.591443      5.894264
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.618958633680
  N      -2.974637     -3.944466      2.526644
  C      -3.118649     -4.731473      1.297088
  C      -2.826162     -6.189721      1.593006
  N      -3.631483     -6.631566      2.751493
  C      -5.016265     -6.984336      2.381094
  C      -5.938015     -6.666429      3.545066
  N      -5.728828     -5.281823      3.994511
  Mo     -3.783503     -4.804769      4.170905
  N      -2.722797     -6.086762      5.288654
  C      -1.978376     -7.048568      4.468552
  C      -2.951129     -7.707198      3.509686
  H      -1.483881     -7.822054      5.070082
  H      -1.173862     -6.554652      3.889933
  H      -3.712713     -8.251683      4.084589
  H      -2.455666     -8.412778      2.817592
  H      -6.972315     -6.833590      3.210229
  H      -5.765690     -7.384943      4.370983
  H      -5.304232     -6.364612      1.520765
  H      -5.081783     -8.044908      2.078817
  H      -2.425105     -4.417893      0.506845
  H      -4.135975     -4.637595      0.867198
  H      -1.766769     -6.289041      1.865972
  H      -3.019546     -6.835231      0.716075
  C       0.307363      1.080084      0.896247
  C      -0.365094     -0.190173      1.424571
  C      -1.409856     -0.841014      0.490968
  C      -2.587888      0.117838      0.249673
  C      -0.773020     -1.125133     -0.883434
  C      -1.898542     -2.246190      0.988006
  C      -2.359183     -2.557001      2.438244
  C      -1.150545     -2.591304      3.395538
  C      -3.400787     -1.517211      2.876678
  C      -6.722133     -2.926832      0.118016
  C      -6.821576     -3.762878      1.398917
  C      -8.108683     -3.584300      2.235200
  C      -8.303097     -2.107675      2.630329
  C      -9.331015     -3.998595      1.389815
  C      -8.116430     -4.540859      3.464208
  C      -6.975774     -4.652500      4.527645
  C      -7.524410     -5.542394      5.670199
  C      -6.672201     -3.287122      5.133606
  C      -0.939907     -2.953950     10.209907
  C      -1.495718     -3.655842      8.969271
  C      -0.586055     -4.722648      8.310049
  C      -0.332729     -5.880269      9.282421
  C       0.772629     -4.089468      7.955562
  C      -1.180881     -5.181599      6.946977
  C      -2.432712     -6.091165      6.761423
  C      -3.688228     -5.601688      7.499506
  C      -2.174321     -7.529748      7.254428
  H      -0.425981      1.863216      0.658502
  H       0.992207      1.489980      1.654088
  H       0.899215      0.890194     -0.009269
  H       0.412543     -0.935802      1.655413
  H      -0.848718      0.050821      2.382613
  H      -3.377554     -0.388170     -0.326965
  H      -3.030557      0.479301      1.183660
  H      -2.266061      0.993126     -0.329132
  H       0.129483     -1.744809     -0.783539
  H      -0.498007     -0.194815     -1.399751
  H      -1.483828     -1.665786     -1.527458
  H      -2.732593     -2.488495      0.310866
  H      -1.087940     -2.952050      0.748819
  H      -0.796277     -1.593704      3.677908
  H      -0.320358     -3.138906      2.928832
  H      -1.425781     -3.145353      4.302926
  H      -3.855453     -1.828857      3.819316
  H      -2.947867     -0.524081      3.014619
  H      -4.204086     -1.430995      2.132165
  H      -5.793907     -3.164124     -0.426047
  H      -7.556467     -3.120343     -0.572988
  H      -6.707069     -1.845767      0.331244
  H      -5.952743     -3.557360      2.042820
  H      -6.745023     -4.832595      1.129757
  H      -8.546960     -1.503192      1.743573
  H      -9.136263     -2.000598      3.342857
  H      -7.406426     -1.675495      3.090683
  H     -10.252732     -3.949661      1.991093
  H      -9.222809     -5.031474      1.019606
  H      -9.463772     -3.334719      0.522786
  H      -8.304975     -5.551885      3.065021
  H      -9.026937     -4.296929      4.039761
  H      -6.698841     -5.768211      6.363450
  H      -7.937823     -6.489400      5.295740
  H      -8.319430     -5.023091      6.223380
  H      -7.615635     -2.782387      5.380848
  H      -6.081906     -3.384656      6.050322
  H      -6.107620     -2.654165      4.441168
  H      -0.687957     -3.663414     11.011091
  H      -0.037989     -2.365793      9.988918
  H      -1.690738     -2.259668     10.616816
  H      -1.750178     -2.908074      8.202969
  H      -2.449334     -4.128859      9.241532
  H       0.233354     -6.689867      8.798308
  H      -1.270116     -6.299924      9.669910
  H       0.254023     -5.534281     10.144937
  H       1.429579     -4.830452      7.474798
  H       1.289083     -3.715410      8.849642
  H       0.643699     -3.250388      7.257060
  H      -0.367636     -5.693930      6.401400
  H      -1.401447     -4.267211      6.378073
  H      -3.594721     -5.780612      8.581093
  H      -3.868492     -4.535679      7.346430
  H      -4.555546     -6.170966      7.128846
  H      -2.918124     -8.223995      6.829594
  H      -1.166731     -7.892407      7.003529
  H      -2.268594     -7.570838      8.347539
  N      -3.763200     -3.420683      5.302416
  N      -3.603893     -2.587940      6.222061
  H      -3.602360     -1.610205      5.869551
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.620138330954
  N      -2.938067     -3.989467      2.541005
  C      -3.065975     -4.777695      1.309403
  C      -2.802775     -6.239203      1.612474
  N      -3.632290     -6.667767      2.758277
  C      -5.019991     -6.992293      2.368894
  C      -5.948116     -6.667473      3.526413
  N      -5.716224     -5.291811      3.995777
  Mo     -3.761179     -4.849600      4.179394
  N      -2.732782     -6.152370      5.306238
  C      -2.003942     -7.133560      4.493424
  C      -2.983065     -7.761885      3.519547
  H      -1.544651     -7.925602      5.098707
  H      -1.173880     -6.663210      3.930522
  H      -3.762732     -8.291832      4.083419
  H      -2.496744     -8.477506      2.830979
  H      -6.982643     -6.811481      3.177012
  H      -5.799346     -7.399676      4.345327
  H      -5.289642     -6.358643      1.512292
  H      -5.100613     -8.049385      2.055132
  H      -2.345493     -4.479814      0.538051
  H      -4.069670     -4.668747      0.849404
  H      -1.749015     -6.356995      1.902372
  H      -2.992701     -6.881216      0.731942
  C       0.187560      1.122481      0.896712
  C      -0.448734     -0.166525      1.422222
  C      -1.474037     -0.843778      0.488310
  C      -2.681127      0.083448      0.245892
  C      -0.823975     -1.111339     -0.884849
  C      -1.916014     -2.260189      0.990520
  C      -2.370292     -2.578845      2.443195
  C      -1.164666     -2.565085      3.403714
  C      -3.443839     -1.568049      2.879576
  C      -6.614046     -2.914827      0.129543
  C      -6.755242     -3.759771      1.395442
  C      -8.030918     -3.526926      2.235098
  C      -8.149162     -2.050932      2.648410
  C      -9.274188     -3.869637      1.390572
  C      -8.081921     -4.493361      3.452235
  C      -6.956378     -4.643613      4.524650
  C      -7.537637     -5.531585      5.654202
  C      -6.629043     -3.290371      5.147531
  C      -0.987298     -2.924471     10.162563
  C      -1.535385     -3.666641      8.942284
  C      -0.599107     -4.715891      8.292766
  C      -0.304229     -5.853621      9.280920
  C       0.736885     -4.044505      7.919046
  C      -1.192278     -5.208569      6.940612
  C      -2.432054     -6.137262      6.778242
  C      -3.684719     -5.643020      7.518738
  C      -2.160879     -7.566830      7.290764
  H      -0.569197      1.885187      0.659614
  H       0.856951      1.549927      1.655114
  H       0.785591      0.949580     -0.008768
  H       0.349442     -0.893085      1.649728
  H      -0.938087      0.060680      2.381308
  H      -3.457077     -0.442126     -0.330740
  H      -3.134873      0.434611      1.180160
  H      -2.382003      0.968068     -0.334302
  H       0.101143     -1.699370     -0.781615
  H      -0.581114     -0.173345     -1.403201
  H      -1.512328     -1.678177     -1.529212
  H      -2.739251     -2.537509      0.312453
  H      -1.076556     -2.938137      0.757142
  H      -0.840178     -1.552467      3.672493
  H      -0.315146     -3.095403      2.947763
  H      -1.430234     -3.110319      4.317878
  H      -3.894290     -1.885989      3.820610
  H      -3.019817     -0.566397      3.017409
  H      -4.246867     -1.503372      2.134774
  H      -5.706671     -3.197600     -0.426195
  H      -7.462792     -3.049007     -0.555714
  H      -6.536048     -1.843789      0.359346
  H      -5.877443     -3.609844      2.039841
  H      -6.736097     -4.824089      1.110557
  H      -8.362848     -1.424650      1.770969
  H      -8.974946     -1.912174      3.361873
  H      -7.231414     -1.670675      3.113230
  H     -10.189787     -3.783378      1.995568
  H      -9.218562     -4.899226      1.007007
  H      -9.376641     -3.189630      0.534368
  H      -8.299718     -5.493533      3.043003
  H      -8.987899     -4.226089      4.024977
  H      -6.724186     -5.780685      6.355257
  H      -7.965777     -6.467516      5.266973
  H      -8.328708     -5.000896      6.204404
  H      -7.564821     -2.767669      5.390667
  H      -6.052262     -3.412273      6.070737
  H      -6.042312     -2.660613      4.470302
  H      -0.701273     -3.611949     10.973139
  H      -0.107964     -2.311255      9.918862
  H      -1.754154     -2.247660     10.566135
  H      -1.823273     -2.939816      8.165217
  H      -2.470687     -4.165967      9.234562
  H       0.278865     -6.656527      8.804510
  H      -1.227180     -6.293781      9.683633
  H       0.281897     -5.477506     10.132522
  H       1.411383     -4.771367      7.441270
  H       1.249955     -3.645008      8.804884
  H       0.575783     -3.215132      7.212100
  H      -0.374443     -5.715918      6.397790
  H      -1.432580     -4.305731      6.360176
  H      -3.581136     -5.804351      8.602198
  H      -3.868913     -4.578617      7.349493
  H      -4.555035     -6.217951      7.163836
  H      -2.899972     -8.273185      6.878077
  H      -1.150894     -7.925574      7.044009
  H      -2.255419     -7.593115      8.384040
  N      -3.715414     -3.464726      5.306051
  N      -3.559022     -2.617194      6.214449
  H      -3.533885     -1.647312      5.847306
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.621286701518
  N      -2.910492     -4.002555      2.550596
  C      -3.006890     -4.802478      1.324003
  C      -2.759801     -6.261434      1.643941
  N      -3.613315     -6.675267      2.775150
  C      -4.999649     -6.978547      2.365018
  C      -5.937607     -6.647467      3.513361
  N      -5.694639     -5.277994      4.000313
  Mo     -3.735270     -4.861306      4.190345
  N      -2.738541     -6.179653      5.335550
  C      -2.018199     -7.180829      4.538500
  C      -2.993999     -7.781547      3.543142
  H      -1.604719     -7.991568      5.152296
  H      -1.156221     -6.737394      4.002316
  H      -3.790638     -8.299746      4.093249
  H      -2.510878     -8.506254      2.861816
  H      -6.969224     -6.776312      3.147239
  H      -5.810019     -7.389361      4.327137
  H      -5.251406     -6.335769      1.509996
  H      -5.089724     -8.033017      2.043366
  H      -2.260800     -4.517991      0.573106
  H      -3.993958     -4.692013      0.829511
  H      -1.713236     -6.386030      1.955647
  H      -2.936198     -6.906832      0.763125
  C       0.056421      1.180373      0.830736
  C      -0.539686     -0.121303      1.374822
  C      -1.549415     -0.840419      0.452288
  C      -2.786022      0.047815      0.197410
  C      -0.888854     -1.109074     -0.918537
  C      -1.943282     -2.258724      0.978865
  C      -2.400283     -2.567850      2.433808
  C      -1.210535     -2.478135      3.408933
  C      -3.516665     -1.593907      2.841112
  C      -6.526451     -2.949838      0.104261
  C      -6.701902     -3.786335      1.370596
  C      -7.952828     -3.482888      2.221598
  C      -7.984203     -2.002277      2.630934
  C      -9.221874     -3.761106      1.392831
  C      -8.043083     -4.444663      3.439523
  C      -6.933435     -4.623670      4.522019
  C      -7.539932     -5.517888      5.633003
  C      -6.593450     -3.285565      5.170899
  C      -0.974633     -2.990601     10.218163
  C      -1.533631     -3.721480      8.997917
  C      -0.596993     -4.755913      8.324630
  C      -0.288243     -5.906787      9.292234
  C       0.730650     -4.072061      7.950284
  C      -1.196438     -5.232935      6.970664
  C      -2.439805     -6.152786      6.807892
  C      -3.691261     -5.642041      7.539525
  C      -2.185427     -7.582403      7.327130
  H      -0.726431      1.916820      0.591148
  H       0.717694      1.636490      1.580859
  H       0.652843      1.014948     -0.079224
  H       0.281030     -0.823100      1.603484
  H      -1.029866      0.103162      2.335432
  H      -3.550092     -0.504868     -0.371210
  H      -3.248792      0.401684      1.128061
  H      -2.509087      0.932816     -0.396951
  H       0.058474     -1.661353     -0.804884
  H      -0.678262     -0.171662     -1.451999
  H      -1.555150     -1.711083     -1.555869
  H      -2.748445     -2.585846      0.300042
  H      -1.072923     -2.906277      0.767865
  H      -0.938891     -1.444006      3.658678
  H      -0.327588     -2.974269      2.977296
  H      -1.464781     -3.012923      4.332544
  H      -3.965458     -1.906129      3.786831
  H      -3.129261     -0.575016      2.960069
  H      -4.316807     -1.575332      2.089238
  H      -5.650412     -3.289654     -0.466340
  H      -7.392875     -3.028533     -0.567577
  H      -6.377811     -1.886973      0.335994
  H      -5.811506     -3.686375      2.006779
  H      -6.749360     -4.849495      1.084888
  H      -8.171938     -1.367645      1.754639
  H      -8.792363     -1.817047      3.351148
  H      -7.043114     -1.671589      3.085551
  H     -10.122215     -3.622000      2.007923
  H      -9.228830     -4.793417      1.013015
  H      -9.297829     -3.079545      0.535121
  H      -8.289700     -5.438873      3.030558
  H      -8.942171     -4.149541      4.008559
  H      -6.740344     -5.784231      6.343246
  H      -7.972083     -6.445141      5.228429
  H      -8.332714     -4.985426      6.179219
  H      -7.524804     -2.755175      5.416486
  H      -6.027550     -3.435776      6.098239
  H      -5.991084     -2.649999      4.513344
  H      -0.669339     -3.685455     11.014066
  H      -0.105176     -2.367321      9.968020
  H      -1.740336     -2.324729     10.641015
  H      -1.836428     -2.987344      8.234891
  H      -2.460887     -4.231245      9.296650
  H       0.291628     -6.701623      8.798714
  H      -1.205962     -6.354465      9.697834
  H       0.305410     -5.542088     10.142286
  H       1.404004     -4.785143      7.450246
  H       1.249802     -3.689637      8.837947
  H       0.556999     -3.228329      7.264645
  H      -0.382385     -5.739495      6.421191
  H      -1.434877     -4.323903      6.400936
  H      -3.591974     -5.795968      8.619795
  H      -3.867127     -4.577236      7.361927
  H      -4.566164     -6.204723      7.188975
  H      -2.933904     -8.277805      6.919740
  H      -1.181773     -7.958930      7.083210
  H      -2.283243     -7.601736      8.417741
  N      -3.684299     -3.466759      5.302935
  N      -3.549382     -2.596010      6.186077
  H      -3.487853     -1.641417      5.783215
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.622300506664
  N      -2.872515     -4.024741      2.580121
  C      -2.933879     -4.828590      1.354105
  C      -2.716089     -6.289355      1.684722
  N      -3.602994     -6.691089      2.793791
  C      -4.986768     -6.961201      2.352822
  C      -5.940568     -6.625493      3.485707
  N      -5.683377     -5.267100      3.997083
  Mo     -3.719238     -4.884664      4.210997
  N      -2.762450     -6.226884      5.368999
  C      -2.052183     -7.244197      4.583009
  C      -3.022446     -7.815090      3.565522
  H      -1.679444     -8.071082      5.201346
  H      -1.164142     -6.824187      4.071056
  H      -3.838984     -8.319530      4.100093
  H      -2.544511     -8.546731      2.888100
  H      -6.966659     -6.729471      3.095957
  H      -5.845217     -7.381272      4.292106
  H      -5.206654     -6.303668      1.499891
  H      -5.091833     -8.010255      2.018841
  H      -2.154935     -4.556378      0.630755
  H      -3.899791     -4.706657      0.820899
  H      -1.679171     -6.427919      2.024228
  H      -2.878326     -6.932791      0.799897
  C      -0.102331      1.255042      0.801848
  C      -0.648780     -0.060255      1.368606
  C      -1.609949     -0.846875      0.449759
  C      -2.878072     -0.020746      0.152030
  C      -0.913761     -1.116396     -0.900690
  C      -1.948913     -2.268711      1.001019
  C      -2.421156     -2.570160      2.450969
  C      -1.259829     -2.408249      3.447296
  C      -3.586649     -1.641869      2.817785
  C      -6.449044     -2.971594      0.064901
  C      -6.661559     -3.799257      1.332811
  C      -7.886589     -3.430024      2.197365
  C      -7.837013     -1.945445      2.599456
  C      -9.177742     -3.648971      1.384238
  C      -8.014417     -4.387156      3.418244
  C      -6.920408     -4.603084      4.511247
  C      -7.558188     -5.507408      5.596353
  C      -6.564279     -3.284106      5.193804
  C      -0.921657     -3.013510     10.220239
  C      -1.508419     -3.752445      9.016684
  C      -0.580732     -4.782389      8.322791
  C      -0.242501     -5.930425      9.286332
  C       0.735104     -4.089530      7.916974
  C      -1.206007     -5.266026      6.980283
  C      -2.457473     -6.181555      6.840311
  C      -3.704033     -5.653246      7.567965
  C      -2.210543     -7.605492      7.380652
  H      -0.911742      1.950517      0.533384
  H       0.526662      1.758655      1.549230
  H       0.513370      1.095469     -0.094037
  H       0.196984     -0.719932      1.625496
  H      -1.163223      0.164555      2.313867
  H      -3.606668     -0.617203     -0.417903
  H      -3.374082      0.334179      1.063504
  H      -2.625663      0.863172     -0.455514
  H       0.054736     -1.620618     -0.755645
  H      -0.735873     -0.182642     -1.452660
  H      -1.538477     -1.763923     -1.534930
  H      -2.722243     -2.649141      0.315365
  H      -1.045983     -2.879314      0.823826
  H      -1.041841     -1.358165      3.678595
  H      -0.346021     -2.871454      3.046962
  H      -1.510063     -2.931147      4.375556
  H      -4.041253     -1.955406      3.760083
  H      -3.245389     -0.604121      2.923499
  H      -4.371326     -1.670386      2.052276
  H      -5.600749     -3.363582     -0.516290
  H      -7.325252     -2.996243     -0.597606
  H      -6.233866     -1.918999      0.297484
  H      -5.762681     -3.745693      1.960333
  H      -6.770180     -4.859780      1.048131
  H      -7.997139     -1.305170      1.720602
  H      -8.629212     -1.713292      3.326446
  H      -6.876145     -1.661863      3.044445
  H     -10.063195     -3.460230      2.010112
  H      -9.242671     -4.683704      1.010196
  H      -9.230091     -2.968603      0.521915
  H      -8.289928     -5.374688      3.008035
  H      -8.907708     -4.063888      3.982636
  H      -6.775912     -5.798894      6.313977
  H      -7.999685     -6.420834      5.170202
  H      -8.350233     -4.970553      6.139068
  H      -7.488680     -2.742506      5.444506
  H      -6.009354     -3.467437      6.122220
  H      -5.943792     -2.643827      4.557967
  H      -0.589300     -3.704133     11.010116
  H      -0.063596     -2.384156      9.944324
  H      -1.680512     -2.351569     10.662321
  H      -1.835333     -3.021980      8.258395
  H      -2.423633     -4.267875      9.341393
  H       0.330125     -6.722868      8.780774
  H      -1.148265     -6.384071      9.714490
  H       0.369738     -5.561503     10.122719
  H       1.400654     -4.796439      7.397904
  H       1.274715     -3.705590      8.794165
  H       0.539319     -3.244014      7.237871
  H      -0.402670     -5.779706      6.421695
  H      -1.446692     -4.358514      6.407683
  H      -3.597697     -5.786169      8.652454
  H      -3.881497     -4.589985      7.369129
  H      -4.584929     -6.222793      7.234389
  H      -2.973483     -8.299762      6.995183
  H      -1.215129     -7.998504      7.130435
  H      -2.295709     -7.605004      8.473760
  N      -3.656596     -3.487293      5.325858
  N      -3.530938     -2.594843      6.190843
  H      -3.457334     -1.655876      5.774399
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.622909898514
  N      -2.845735     -4.027925      2.616437
  C      -2.873476     -4.834370      1.392216
  C      -2.676429     -6.296999      1.730101
  N      -3.595204     -6.692325      2.814158
  C      -4.973152     -6.922207      2.335955
  C      -5.945521     -6.590991      3.450510
  N      -5.675484     -5.252257      3.999689
  Mo     -3.710321     -4.894356      4.237253
  N      -2.789243     -6.259310      5.403052
  C      -2.091612     -7.291554      4.626353
  C      -3.054376     -7.833830      3.586537
  H      -1.756639     -8.131955      5.248847
  H      -1.180585     -6.894302      4.136024
  H      -3.890414     -8.325327      4.104637
  H      -2.580741     -8.568799      2.909874
  H      -6.963193     -6.661217      3.032806
  H      -5.887655     -7.366839      4.240573
  H      -5.152712     -6.242542      1.491571
  H      -5.095553     -7.961523      1.980497
  H      -2.067233     -4.568410      0.694345
  H      -3.820660     -4.703383      0.828128
  H      -1.649819     -6.443759      2.096934
  H      -2.822069     -6.938215      0.840859
  C      -0.248812      1.322723      0.768823
  C      -0.744930     -0.000655      1.362323
  C      -1.662387     -0.850330      0.453767
  C      -2.960201     -0.087609      0.123763
  C      -0.943750     -1.121258     -0.884899
  C      -1.952224     -2.272529      1.031188
  C      -2.441218     -2.563066      2.476550
  C      -1.311541     -2.338657      3.494816
  C      -3.649637     -1.677635      2.801382
  C      -6.354265     -3.002280      0.047266
  C      -6.614922     -3.822115      1.310259
  C      -7.824985     -3.398801      2.171247
  C      -7.717459     -1.918027      2.572517
  C      -9.122895     -3.564828      1.355013
  C      -7.991774     -4.350636      3.390606
  C      -6.917458     -4.592156      4.501519
  C      -7.580972     -5.512255      5.554936
  C      -6.572249     -3.291809      5.218297
  C      -0.828281     -3.011581     10.192048
  C      -1.451509     -3.764258      9.013046
  C      -0.552674     -4.819138      8.319195
  C      -0.214422     -5.956813      9.294367
  C       0.767210     -4.152289      7.881036
  C      -1.206232     -5.313311      6.991924
  C      -2.481846     -6.202420      6.872537
  C      -3.715053     -5.642106      7.596855
  C      -2.263609     -7.624101      7.430070
  H      -1.082131      1.979434      0.478657
  H       0.355051      1.868005      1.509678
  H       0.380592      1.169300     -0.118933
  H       0.126026     -0.615714      1.643807
  H      -1.280306      0.222829      2.296741
  H      -3.658038     -0.728613     -0.437579
  H      -3.480941      0.268545      1.020416
  H      -2.738086      0.789882     -0.503296
  H       0.043042     -1.581056     -0.717479
  H      -0.797417     -0.195190     -1.459159
  H      -1.536625     -1.808759     -1.508961
  H      -2.696222     -2.694687      0.339918
  H      -1.025773     -2.852530      0.885045
  H      -1.142453     -1.277005      3.709067
  H      -0.371552     -2.771704      3.124262
  H      -1.562314     -2.850233      4.427435
  H      -4.110166     -1.993310      3.741249
  H      -3.352680     -0.623087      2.894213
  H      -4.415593     -1.751291      2.020124
  H      -5.520864     -3.437358     -0.526695
  H      -7.225448     -2.976701     -0.622356
  H      -6.086182     -1.964253      0.285271
  H      -5.718254     -3.809576      1.942829
  H      -6.769597     -4.875905      1.022862
  H      -7.848693     -1.272226      1.691317
  H      -8.501926     -1.651900      3.297753
  H      -6.746962     -1.674777      3.020886
  H     -10.002218     -3.338099      1.978048
  H      -9.228378     -4.596019      0.983577
  H      -9.148741     -2.886293      0.489922
  H      -8.278167     -5.331486      2.976800
  H      -8.888546     -4.009168      3.937509
  H      -6.818230     -5.815558      6.288228
  H      -8.014257     -6.416709      5.105554
  H      -8.384301     -4.980531      6.083472
  H      -7.497231     -2.749700      5.460646
  H      -6.036136     -3.499498      6.151357
  H      -5.936948     -2.643372      4.609975
  H      -0.489024     -3.693145     10.987453
  H       0.032125     -2.398074      9.886945
  H      -1.568309     -2.332001     10.639850
  H      -1.781519     -3.042067      8.247055
  H      -2.365859     -4.260828      9.365966
  H       0.335333     -6.764814      8.788915
  H      -1.116753     -6.391062      9.746972
  H       0.420271     -5.586094     10.114501
  H       1.410242     -4.874136      7.355458
  H       1.330730     -3.767115      8.745262
  H       0.573030     -3.310652      7.197051
  H      -0.422255     -5.854531      6.433661
  H      -1.426871     -4.409052      6.405571
  H      -3.616079     -5.774670      8.681444
  H      -3.869768     -4.579885      7.399669
  H      -4.605709     -6.193869      7.263177
  H      -3.049200     -8.304136      7.063280
  H      -1.283044     -8.046190      7.172479
  H      -2.334874     -7.605523      8.524427
  N      -3.661903     -3.493997      5.347412
  N      -3.557960     -2.592724      6.201083
  H      -3.430462     -1.658349      5.767358
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.623162234130
  N      -2.813526     -4.045017      2.613521
  C      -2.808136     -4.866953      1.400371
  C      -2.626353     -6.327118      1.757354
  N      -3.576547     -6.709062      2.819165
  C      -4.947021     -6.915149      2.311248
  C      -5.934802     -6.583441      3.412324
  N      -5.657695     -5.255474      3.984019
  Mo     -3.692859     -4.907523      4.232814
  N      -2.801690     -6.274378      5.417142
  C      -2.119593     -7.331974      4.661162
  C      -3.073656     -7.857200      3.605844
  H      -1.824599     -8.178192      5.297755
  H      -1.185348     -6.966755      4.187491
  H      -3.929912     -8.330080      4.109319
  H      -2.601217     -8.603102      2.939366
  H      -6.944821     -6.632082      2.976257
  H      -5.903240     -7.370049      4.192302
  H      -5.097594     -6.224341      1.471336
  H      -5.077619     -7.949462      1.943026
  H      -1.980720     -4.610282      0.723452
  H      -3.738659     -4.736027      0.808479
  H      -1.610877     -6.474765      2.152874
  H      -2.751300     -6.976158      0.870565
  C      -0.339599      1.358476      0.769112
  C      -0.814091      0.028467      1.357658
  C      -1.680155     -0.853436      0.436640
  C      -2.988436     -0.130622      0.070682
  C      -0.925596     -1.116536     -0.879658
  C      -1.941458     -2.280394      1.018778
  C      -2.442225     -2.571887      2.461558
  C      -1.327278     -2.311089      3.489966
  C      -3.676798     -1.711928      2.768331
  C      -6.350693     -2.969837      0.044818
  C      -6.614891     -3.803398      1.300256
  C      -7.803870     -3.366432      2.185835
  C      -7.662318     -1.894227      2.607513
  C      -9.115762     -3.496330      1.386653
  C      -7.972853     -4.331263      3.393630
  C      -6.898816     -4.601927      4.497849
  C      -7.571054     -5.546657      5.524250
  C      -6.557300     -3.318846      5.249006
  C      -0.810320     -3.017464     10.184611
  C      -1.438005     -3.768857      9.008688
  C      -0.546857     -4.831819      8.317765
  C      -0.219317     -5.972049      9.290706
  C       0.778249     -4.180093      7.879282
  C      -1.203959     -5.324530      6.995159
  C      -2.494233     -6.192792      6.885201
  C      -3.719310     -5.599484      7.594429
  C      -2.296624     -7.606155      7.470376
  H      -1.177873      1.993171      0.453301
  H       0.229198      1.922969      1.518599
  H       0.314881      1.214603     -0.097698
  H       0.063299     -0.559358      1.669196
  H      -1.380146      0.244021      2.272487
  H      -3.653855     -0.799630     -0.494027
  H      -3.537783      0.222376      0.949515
  H      -2.780319      0.743712     -0.562101
  H       0.066763     -1.548168     -0.685095
  H      -0.791977     -0.193249     -1.459548
  H      -1.483810     -1.825698     -1.507797
  H      -2.664302     -2.721064      0.317700
  H      -0.999389     -2.840143      0.890541
  H      -1.184065     -1.242013      3.691487
  H      -0.372815     -2.728516      3.135547
  H      -1.580960     -2.811649      4.431521
  H      -4.129481     -2.026236      3.719463
  H      -3.406915     -0.646759      2.844972
  H      -4.442402     -1.818605      1.983673
  H      -5.528517     -3.412894     -0.540750
  H      -7.227877     -2.917383     -0.617007
  H      -6.057528     -1.938515      0.292671
  H      -5.709344     -3.816306      1.921362
  H      -6.795709     -4.851779      1.001795
  H      -7.794614     -1.233127      1.738573
  H      -8.430938     -1.625345      3.348999
  H      -6.680388     -1.674245      3.043555
  H      -9.982996     -3.255400      2.022650
  H      -9.248829     -4.522279      1.009053
  H      -9.136733     -2.811136      0.526682
  H      -8.271825     -5.303960      2.968697
  H      -8.864075     -3.987505      3.947150
  H      -6.818797     -5.864785      6.260939
  H      -8.001047     -6.441659      5.052894
  H      -8.380317     -5.024937      6.053906
  H      -7.483636     -2.785487      5.504678
  H      -6.019021     -3.546456      6.175684
  H      -5.924623     -2.652179      4.656672
  H      -0.472432     -3.699233     10.979252
  H       0.051411     -2.407969      9.877628
  H      -1.546836     -2.334615     10.633092
  H      -1.763156     -3.046481      8.242338
  H      -2.354942     -4.258563      9.363684
  H       0.321974     -6.785294      8.783731
  H      -1.124194     -6.396853      9.744020
  H       0.419405     -5.609445     10.109358
  H       1.410885     -4.906805      7.347571
  H       1.348200     -3.807487      8.741707
  H       0.592154     -3.333232      7.201552
  H      -0.428430     -5.885856      6.445252
  H      -1.406972     -4.422414      6.398863
  H      -3.629978     -5.721838      8.680063
  H      -3.854697     -4.537620      7.385902
  H      -4.616380     -6.138650      7.262290
  H      -3.097194     -8.278840      7.123634
  H      -1.325871     -8.049621      7.211622
  H      -2.356076     -7.564866      8.564691
  N      -3.651278     -3.500751      5.336547
  N      -3.567468     -2.580477      6.180437
  H      -3.478446     -1.649346      5.745499
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.623448920003
  N      -2.801358     -4.053339      2.619600
  C      -2.778844     -4.876698      1.407106
  C      -2.610211     -6.337491      1.769335
  N      -3.578513     -6.716741      2.815065
  C      -4.943726     -6.908702      2.286601
  C      -5.943445     -6.581291      3.377868
  N      -5.667998     -5.259903      3.966122
  Mo     -3.704416     -4.915762      4.228507
  N      -2.823661     -6.285204      5.418058
  C      -2.147524     -7.351731      4.670809
  C      -3.096219     -7.868965      3.607230
  H      -1.866845     -8.198510      5.312974
  H      -1.205105     -6.999159      4.203844
  H      -3.962969     -8.331985      4.100807
  H      -2.623465     -8.619293      2.946162
  H      -6.948084     -6.620628      2.929689
  H      -5.922803     -7.374994      4.150179
  H      -5.076964     -6.210577      1.450593
  H      -5.077477     -7.938893      1.908369
  H      -1.935704     -4.625854      0.747414
  H      -3.697009     -4.738698      0.795844
  H      -1.601916     -6.486801      2.182154
  H      -2.722223     -6.986945      0.880901
  C      -0.317504      1.353190      0.787502
  C      -0.782225      0.020032      1.375797
  C      -1.645221     -0.863930      0.453138
  C      -2.956971     -0.145054      0.087478
  C      -0.890428     -1.126718     -0.866072
  C      -1.904092     -2.292546      1.035207
  C      -2.424138     -2.582077      2.470962
  C      -1.320244     -2.328080      3.510272
  C      -3.651421     -1.708545      2.757879
  C      -6.384961     -2.945573      0.059959
  C      -6.644299     -3.792448      1.306343
  C      -7.828120     -3.360748      2.202548
  C      -7.683672     -1.893390      2.637586
  C      -9.143829     -3.481994      1.409405
  C      -7.989477     -4.333591      3.403789
  C      -6.908767     -4.620907      4.496534
  C      -7.576171     -5.589351      5.503618
  C      -6.571339     -3.352718      5.273793
  C      -0.821487     -2.987973     10.149249
  C      -1.451757     -3.750486      8.982419
  C      -0.552739     -4.802324      8.285929
  C      -0.195623     -5.935773      9.258802
  C       0.758881     -4.132785      7.829348
  C      -1.218877     -5.308674      6.974269
  C      -2.502842     -6.189702      6.882781
  C      -3.727268     -5.607196      7.602588
  C      -2.281318     -7.596642      7.477797
  H      -1.163015      1.986427      0.480583
  H       0.257474      1.915863      1.536323
  H       0.332801      1.215303     -0.088378
  H       0.101975     -0.561478      1.685860
  H      -1.350257      0.229153      2.295006
  H      -3.621869     -0.819200     -0.472918
  H      -3.505465      0.209820      0.968095
  H      -2.754634      0.725902     -0.550821
  H       0.103398     -1.558157     -0.673018
  H      -0.758086     -0.204365     -1.447344
  H      -1.450010     -1.836217     -1.493482
  H      -2.616386     -2.735682      0.324714
  H      -0.959221     -2.849320      0.919922
  H      -1.170170     -1.258937      3.708120
  H      -0.366386     -2.755143      3.166529
  H      -1.586035     -2.822429      4.450455
  H      -4.124156     -2.016949      3.688747
  H      -3.377145     -0.649989      2.846689
  H      -4.391027     -1.804616      1.959800
  H      -5.555869     -3.375790     -0.525454
  H      -7.262037     -2.893779     -0.603201
  H      -6.099614     -1.914000      0.316505
  H      -5.735606     -3.811659      1.923622
  H      -6.825754     -4.837196      0.998201
  H      -7.819860     -1.224136      1.775919
  H      -8.448985     -1.632151      3.384648
  H      -6.699613     -1.677919      3.070634
  H     -10.007433     -3.236943      2.048949
  H      -9.283314     -4.507367      1.032018
  H      -9.163243     -2.796469      0.549699
  H      -8.295832     -5.301678      2.973097
  H      -8.874834     -3.990725      3.966308
  H      -6.823354     -5.915922      6.235739
  H      -8.001302     -6.477679      5.016453
  H      -8.389357     -5.082117      6.040451
  H      -7.500146     -2.833544      5.546150
  H      -6.023948     -3.593739      6.190904
  H      -5.948202     -2.667703      4.692112
  H      -0.463912     -3.663822     10.941027
  H       0.027323     -2.365832      9.831572
  H      -1.563886     -2.316657     10.605125
  H      -1.795276     -3.033618      8.218011
  H      -2.358332     -4.252142      9.348886
  H       0.350926     -6.742727      8.746964
  H      -1.089341     -6.372722      9.726162
  H       0.449570     -5.562165     10.067472
  H       1.393897     -4.851820      7.289636
  H       1.336787     -3.754291      8.683160
  H       0.552798     -3.287828      7.153349
  H      -0.443095     -5.868097      6.421095
  H      -1.436027     -4.412636      6.371512
  H      -3.625504     -5.730343      8.689769
  H      -3.876131     -4.543349      7.393625
  H      -4.623291     -6.159001      7.278576
  H      -3.082992     -8.278515      7.150998
  H      -1.311011     -8.032346      7.203999
  H      -2.318071     -7.547864      8.572845
  N      -3.672893     -3.507703      5.328681
  N      -3.592711     -2.589969      6.175174
  H      -3.480362     -1.659422      5.735528
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.623604026001
  N      -2.805713     -4.064809      2.630205
  C      -2.779612     -4.883939      1.414010
  C      -2.615709     -6.345098      1.773465
  N      -3.587997     -6.726015      2.813799
  C      -4.951359     -6.913891      2.279172
  C      -5.955688     -6.589082      3.366546
  N      -5.682187     -5.269832      3.961789
  Mo     -3.719817     -4.926424      4.230775
  N      -2.833544     -6.294781      5.417639
  C      -2.160897     -7.364078      4.670935
  C      -3.110789     -7.879229      3.606999
  H      -1.879887     -8.209351      5.312986
  H      -1.218926     -7.014469      4.201975
  H      -3.980223     -8.337662      4.098395
  H      -2.639511     -8.631969      2.948048
  H      -6.959105     -6.626509      2.913698
  H      -5.937006     -7.385529      4.136650
  H      -5.080610     -6.213459      1.444009
  H      -5.085133     -7.942529      1.896867
  H      -1.930893     -4.634141      0.761689
  H      -3.692512     -4.741961      0.796222
  H      -1.609476     -6.495377      2.190359
  H      -2.723849     -6.992198      0.882940
  C      -0.323903      1.343818      0.802034
  C      -0.790814      0.010154      1.388392
  C      -1.655912     -0.870418      0.463064
  C      -2.967074     -0.148174      0.098121
  C      -0.900668     -1.132384     -0.857136
  C      -1.914417     -2.300652      1.043954
  C      -2.425953     -2.595522      2.484264
  C      -1.310547     -2.354701      3.515389
  C      -3.649800     -1.719588      2.788315
  C      -6.331708     -2.910093      0.097242
  C      -6.617598     -3.777042      1.319938
  C      -7.816148     -3.354972      2.200233
  C      -7.673189     -1.895544      2.657953
  C      -9.117895     -3.458906      1.382890
  C      -7.998331     -4.339860      3.388690
  C      -6.926968     -4.635155      4.489939
  C      -7.598415     -5.608161      5.491936
  C      -6.597190     -3.368778      5.271934
  C      -0.813402     -2.954449     10.114538
  C      -1.449285     -3.726340      8.956361
  C      -0.552232     -4.780884      8.262860
  C      -0.182669     -5.902293      9.245573
  C       0.753300     -4.108864      7.790872
  C      -1.224526     -5.303282      6.959409
  C      -2.503687     -6.192664      6.881420
  C      -3.726806     -5.615207      7.609530
  C      -2.269971     -7.594135      7.485759
  H      -1.169414      1.978329      0.496314
  H       0.252647      1.904510      1.551776
  H       0.326149      1.206330     -0.074725
  H       0.093010     -0.572590      1.698666
  H      -1.359411      0.218453      2.308493
  H      -3.634607     -0.821533     -0.460868
  H      -3.512651      0.209704      0.979733
  H      -2.763873      0.721081     -0.542666
  H       0.092281     -1.567730     -0.665956
  H      -0.765771     -0.208767     -1.435937
  H      -1.462782     -1.838584     -1.486362
  H      -2.631487     -2.742881      0.335291
  H      -0.968839     -2.856298      0.921736
  H      -1.140426     -1.287472      3.707036
  H      -0.366738     -2.799300      3.166010
  H      -1.577319     -2.841480      4.458781
  H      -4.106305     -2.022421      3.734853
  H      -3.370968     -0.661446      2.864529
  H      -4.407541     -1.821642      2.000487
  H      -5.485941     -3.325158     -0.473219
  H      -7.191741     -2.850187     -0.585421
  H      -6.058956     -1.884383      0.378277
  H      -5.721929     -3.812355      1.953534
  H      -6.794405     -4.812342      0.988816
  H      -7.790125     -1.213240      1.803540
  H      -8.451372     -1.641855      3.393348
  H      -6.696614     -1.692359      3.112576
  H      -9.990399     -3.214149      2.009023
  H      -9.256951     -4.479056      0.993303
  H      -9.116364     -2.765213      0.530289
  H      -8.302965     -5.303353      2.947347
  H      -8.889210     -3.997766      3.944219
  H      -6.847718     -5.934981      6.227618
  H      -8.017379     -6.496447      4.999668
  H      -8.416912     -5.104872      6.025825
  H      -7.529756     -2.852035      5.537385
  H      -6.056980     -3.609468      6.194046
  H      -5.970974     -2.681513      4.696824
  H      -0.450824     -3.624027     10.909382
  H       0.033100     -2.333599      9.787877
  H      -1.554524     -2.281241     10.569857
  H      -1.798390     -3.016025      8.188627
  H      -2.353271     -4.227006      9.331299
  H       0.362718     -6.712127      8.737514
  H      -1.070940     -6.337904      9.725025
  H       0.467814     -5.516897     10.045244
  H       1.387741     -4.830819      7.254476
  H       1.335595     -3.718839      8.637806
  H       0.539186     -3.271912      7.106984
  H      -0.449332     -5.864278      6.406330
  H      -1.450038     -4.415229      6.349080
  H      -3.619344     -5.738825      8.697839
  H      -3.879429     -4.551162      7.402107
  H      -4.622210     -6.172720      7.288660
  H      -3.069866     -8.284258      7.170673
  H      -1.298669     -8.025799      7.208542
  H      -2.298320     -7.535742      8.580472
  N      -3.690888     -3.521686      5.334785
  N      -3.598727     -2.618592      6.190185
  H      -3.464835     -1.687985      5.755357
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.623594192269
  N      -2.808878     -4.048244      2.635963
  C      -2.769556     -4.865502      1.418635
  C      -2.603902     -6.326679      1.776863
  N      -3.582937     -6.711501      2.809075
  C      -4.944966     -6.889942      2.266090
  C      -5.952460     -6.575760      3.351793
  N      -5.684008     -5.260734      3.961610
  Mo     -3.723344     -4.915625      4.232053
  N      -2.835358     -6.289258      5.415966
  C      -2.167921     -7.364379      4.672949
  C      -3.114476     -7.868429      3.600107
  H      -1.903941     -8.213647      5.315444
  H      -1.216620     -7.026033      4.215545
  H      -3.988706     -8.324335      4.084373
  H      -2.643694     -8.621242      2.941538
  H      -6.953947     -6.610098      2.893697
  H      -5.934937     -7.378671      4.114086
  H      -5.068446     -6.181597      1.436970
  H      -5.080656     -7.914125      1.873001
  H      -1.916320     -4.610813      0.773489
  H      -3.676590     -4.724143      0.793522
  H      -1.600919     -6.472993      2.203111
  H      -2.702057     -6.973620      0.884435
  C      -0.280638      1.345052      0.839845
  C      -0.761040      0.014019      1.419426
  C      -1.619519     -0.863890      0.483462
  C      -2.921892     -0.135917      0.103037
  C      -0.850234     -1.132672     -0.827728
  C      -1.891835     -2.291010      1.062364
  C      -2.416776     -2.583271      2.499512
  C      -1.306381     -2.350142      3.539692
  C      -3.638329     -1.703032      2.798130
  C      -6.431665     -2.958501      0.045162
  C      -6.688671     -3.820457      1.280979
  C      -7.858142     -3.388062      2.190423
  C      -7.694988     -1.924536      2.631840
  C      -9.180654     -3.493510      1.408279
  C      -8.016632     -4.361293      3.393166
  C      -6.934199     -4.636464      4.491525
  C      -7.592173     -5.609125      5.503791
  C      -6.617702     -3.360492      5.267266
  C      -0.783084     -2.943265     10.091277
  C      -1.427898     -3.721139      8.941377
  C      -0.537537     -4.784308      8.252453
  C      -0.166367     -5.898775      9.243210
  C       0.768416     -4.119365      7.770691
  C      -1.215117     -5.313592      6.953973
  C      -2.504715     -6.187096      6.878959
  C      -3.721472     -5.594455      7.607180
  C      -2.289851     -7.590288      7.485927
  H      -1.117818      1.983468      0.525127
  H       0.290040      1.903816      1.596035
  H       0.377613      1.204039     -0.028523
  H       0.115538     -0.571585      1.741003
  H      -1.340197      0.225066      2.331827
  H      -3.589997     -0.808191     -0.457749
  H      -3.471714      0.232799      0.977802
  H      -2.706663      0.726913     -0.542003
  H       0.137318     -1.574173     -0.624366
  H      -0.701564     -0.210659     -1.405470
  H      -1.409768     -1.836316     -1.463869
  H      -2.604127     -2.731435      0.346831
  H      -0.947774     -2.850365      0.949457
  H      -1.130965     -1.283968      3.733479
  H      -0.362132     -2.799219      3.196489
  H      -1.580519     -2.834858      4.481745
  H      -4.098607     -1.999526      3.748270
  H      -3.353942     -0.644799      2.870400
  H      -4.394687     -1.806794      2.005918
  H      -5.597733     -3.372569     -0.537402
  H      -7.304786     -2.905521     -0.620062
  H      -6.153694     -1.929010      0.313204
  H      -5.776323     -3.856900      1.889535
  H      -6.883046     -4.857760      0.961389
  H      -7.832712     -1.247582      1.776915
  H      -8.449693     -1.663195      3.385944
  H      -6.706691     -1.720778      3.057484
  H     -10.033216     -3.233496      2.051500
  H      -9.339439     -4.517794      1.036656
  H      -9.194196     -2.811110      0.546670
  H      -8.321596     -5.332519      2.966589
  H      -8.901956     -4.017291      3.954704
  H      -6.842884     -5.916938      6.249873
  H      -7.995541     -6.510621      5.019955
  H      -8.421287     -5.110068      6.027693
  H      -7.556739     -2.854177      5.532307
  H      -6.072059     -3.589906      6.191905
  H      -6.001333     -2.666429      4.689704
  H      -0.417712     -3.608867     10.888648
  H       0.063771     -2.327069      9.755672
  H      -1.519649     -2.264740     10.546696
  H      -1.776793     -3.014162      8.169642
  H      -2.332441     -4.215206      9.323585
  H       0.371658     -6.715647      8.738390
  H      -1.053094     -6.325963      9.733001
  H       0.491997     -5.509999     10.035452
  H       1.397633     -4.846591      7.234936
  H       1.357346     -3.727039      8.613318
  H       0.554252     -3.284776      7.083310
  H      -0.445507     -5.888305      6.406965
  H      -1.428225     -4.428832      6.334904
  H      -3.624054     -5.733151      8.691666
  H      -3.854609     -4.528857      7.414884
  H      -4.623839     -6.128181      7.277119
  H      -3.104887     -8.264104      7.180526
  H      -1.329735     -8.042471      7.202494
  H      -2.307511     -7.526939      8.578691
  N      -3.700456     -3.513899      5.337175
  N      -3.614835     -2.605639      6.191255
  H      -3.505124     -1.674723      5.754118
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.623758678389
  N      -2.802053     -4.064052      2.622579
  C      -2.762331     -4.887461      1.410106
  C      -2.602623     -6.345836      1.776035
  N      -3.585356     -6.719421      2.808180
  C      -4.946893     -6.895548      2.266160
  C      -5.952411     -6.578340      3.354014
  N      -5.676442     -5.264248      3.964048
  Mo     -3.715297     -4.920466      4.225646
  N      -2.829500     -6.290146      5.414029
  C      -2.173724     -7.376172      4.676708
  C      -3.124892     -7.875199      3.605175
  H      -1.923504     -8.226591      5.323471
  H      -1.216730     -7.052485      4.220431
  H      -4.003107     -8.321595      4.090826
  H      -2.659940     -8.635523      2.950619
  H      -6.954047     -6.609189      2.897739
  H      -5.938750     -7.380872      4.116851
  H      -5.070603     -6.186967      1.437213
  H      -5.084084     -7.919618      1.872009
  H      -1.906594     -4.639889      0.766574
  H      -3.666055     -4.746286      0.782262
  H      -1.602021     -6.493980      2.205586
  H      -2.700272     -6.998125      0.887628
  C      -0.341638      1.356793      0.822124
  C      -0.798049      0.013580      1.397806
  C      -1.641355     -0.875052      0.459039
  C      -2.956926     -0.166835      0.080081
  C      -0.865384     -1.127357     -0.850692
  C      -1.893484     -2.306303      1.037886
  C      -2.416991     -2.597661      2.474122
  C      -1.306591     -2.347658      3.511808
  C      -3.645684     -1.726945      2.761555
  C      -6.368243     -2.928928      0.078964
  C      -6.643836     -3.792656      1.311404
  C      -7.824044     -3.357902      2.209297
  C      -7.659703     -1.895822      2.660030
  C      -9.139672     -3.452946      1.411282
  C      -7.999100     -4.339610      3.403144
  C      -6.921263     -4.634824      4.500377
  C      -7.588173     -5.610732      5.503749
  C      -6.591809     -3.368884      5.287392
  C      -0.823601     -2.964840     10.120979
  C      -1.455911     -3.738239      8.962428
  C      -0.551199     -4.782806      8.262820
  C      -0.169484     -5.904713      9.239941
  C       0.747007     -4.098626      7.790362
  C      -1.219572     -5.305908      6.959059
  C      -2.501643     -6.187538      6.877501
  C      -3.724704     -5.603421      7.602895
  C      -2.276939     -7.589788      7.481522
  H      -1.190949      1.980734      0.507446
  H       0.217062      1.923584      1.579639
  H       0.320285      1.231470     -0.045035
  H       0.088730     -0.558794      1.718289
  H      -1.381104      0.210375      2.310082
  H      -3.615580     -0.849201     -0.478709
  H      -3.511220      0.192245      0.956025
  H      -2.757071      0.701442     -0.565972
  H       0.130111     -1.552233     -0.646781
  H      -0.732810     -0.200780     -1.427348
  H      -1.411544     -1.839592     -1.487952
  H      -2.597551     -2.758518      0.322539
  H      -0.941162     -2.851406      0.928793
  H      -1.133807     -1.278685      3.695221
  H      -0.361523     -2.797175      3.173362
  H      -1.579541     -2.824858      4.460424
  H      -4.111794     -2.029138      3.702057
  H      -3.372326     -0.665255      2.836893
  H      -4.391122     -1.835667      1.964813
  H      -5.522095     -3.343023     -0.490211
  H      -7.230727     -2.876504     -0.603030
  H      -6.097457     -1.897114      0.353739
  H      -5.738165     -3.835877      1.932987
  H      -6.837500     -4.831270      0.984439
  H      -7.788454     -1.214296      1.806204
  H      -8.420555     -1.633660      3.409941
  H      -6.672966     -1.697757      3.095387
  H      -9.999056     -3.189851      2.046377
  H      -9.299801     -4.475043      1.032653
  H      -9.139844     -2.766554      0.552616
  H      -8.312108     -5.302884      2.965984
  H      -8.883805     -3.993551      3.965682
  H      -6.842453     -5.930290      6.247497
  H      -7.997165     -6.505252      5.011490
  H      -8.414423     -5.110920      6.031447
  H      -7.526247     -2.851914      5.552026
  H      -6.055277     -3.611980      6.212589
  H      -5.963380     -2.678279      4.718737
  H      -0.449904     -3.633616     10.911223
  H       0.015240     -2.334312      9.793204
  H      -1.569454     -2.300674     10.582122
  H      -1.814229     -3.028049      8.198600
  H      -2.354265     -4.248136      9.337877
  H       0.377471     -6.710568      8.726926
  H      -1.052255     -6.345198      9.723629
  H       0.483302     -5.518598     10.036426
  H       1.385131     -4.812451      7.246854
  H       1.330337     -3.710587      8.636995
  H       0.523641     -3.258762      7.113606
  H      -0.443457     -5.871077      6.411216
  H      -1.439168     -4.418666      6.346255
  H      -3.632947     -5.750361      8.684669
  H      -3.858958     -4.537275      7.418391
  H      -4.623949     -6.132982      7.264290
  H      -3.084069     -8.269905      7.172886
  H      -1.311396     -8.032391      7.201185
  H      -2.299315     -7.528347      8.573735
  N      -3.681413     -3.516059      5.328752
  N      -3.591096     -2.601598      6.180183
  H      -3.490069     -1.666853      5.744819
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.623840601284
  N      -2.801124     -4.070241      2.632573
  C      -2.748769     -4.894343      1.420639
  C      -2.597505     -6.354324      1.788966
  N      -3.590706     -6.725425      2.812688
  C      -4.948017     -6.899508      2.259685
  C      -5.962136     -6.583906      3.340601
  N      -5.688414     -5.272222      3.956591
  Mo     -3.727085     -4.928092      4.228901
  N      -2.848245     -6.296651      5.423805
  C      -2.195001     -7.388010      4.691509
  C      -3.140359     -7.883242      3.613880
  H      -1.954292     -8.239987      5.341167
  H      -1.232795     -7.070670      4.240449
  H      -4.023629     -8.326687      4.093964
  H      -2.673213     -8.645949      2.963227
  H      -6.960450     -6.611693      2.877023
  H      -5.955835     -7.388851      4.101707
  H      -5.065617     -6.188475      1.431506
  H      -5.082560     -7.922571      1.861647
  H      -1.884334     -4.649262      0.787357
  H      -3.645412     -4.750830      0.781037
  H      -1.600920     -6.505673      2.228163
  H      -2.688408     -7.006586      0.899841
  C      -0.356467      1.365379      0.832814
  C      -0.808002      0.021560      1.411294
  C      -1.640981     -0.874754      0.470867
  C      -2.955829     -0.173760      0.078596
  C      -0.854361     -1.127098     -0.831816
  C      -1.889333     -2.306483      1.051488
  C      -2.418630     -2.601244      2.485727
  C      -1.313693     -2.351643      3.527695
  C      -3.648803     -1.729557      2.771657
  C      -6.354001     -2.929807      0.078231
  C      -6.642532     -3.796307      1.305523
  C      -7.818830     -3.352081      2.204990
  C      -7.638949     -1.895579      2.664781
  C      -9.133488     -3.425871      1.405025
  C      -8.007585     -4.338812      3.392212
  C      -6.936221     -4.647523      4.490714
  C      -7.608127     -5.634417      5.477983
  C      -6.610175     -3.391781      5.292174
  C      -0.786906     -2.956920     10.107704
  C      -1.436581     -3.731377      8.958956
  C      -0.541492     -4.774072      8.244583
  C      -0.146253     -5.897336      9.214761
  C       0.750163     -4.088585      7.755097
  C      -1.226945     -5.297487      6.948978
  C      -2.510377     -6.180677      6.885129
  C      -3.729212     -5.587540      7.610227
  C      -2.280417     -7.576438      7.503103
  H      -1.209018      1.983348      0.513528
  H       0.197150      1.937486      1.590961
  H       0.309257      1.240953     -0.033045
  H       0.080628     -0.544770      1.737495
  H      -1.396691      0.218011      2.320186
  H      -3.606801     -0.861397     -0.481928
  H      -3.518016      0.187231      0.947949
  H      -2.754349      0.691911     -0.569164
  H       0.140916     -1.546931     -0.619155
  H      -0.721582     -0.201632     -1.409393
  H      -1.392184     -1.843359     -1.471181
  H      -2.587327     -2.762105      0.333212
  H      -0.933307     -2.847438      0.946449
  H      -1.139691     -1.283276      3.709282
  H      -0.368027     -2.805058      3.195166
  H      -1.592534     -2.825027      4.475244
  H      -4.118542     -2.032996      3.708740
  H      -3.376647     -0.669585      2.851305
  H      -4.391084     -1.835132      1.972873
  H      -5.512629     -3.350621     -0.493800
  H      -7.214021     -2.863567     -0.603369
  H      -6.072333     -1.904246      0.359047
  H      -5.739203     -3.855350      1.927510
  H      -6.848463     -4.828690      0.971379
  H      -7.759395     -1.207339      1.815023
  H      -8.398055     -1.629799      3.416265
  H      -6.650424     -1.711612      3.101403
  H      -9.991072     -3.153504      2.040299
  H      -9.306248     -4.443769      1.022174
  H      -9.121945     -2.736065      0.548794
  H      -8.325483     -5.296873      2.948356
  H      -8.892073     -3.989444      3.953704
  H      -6.863979     -5.964437      6.218043
  H      -8.016821     -6.520700      4.973091
  H      -8.434348     -5.141559      6.009725
  H      -7.545189     -2.879723      5.560723
  H      -6.075636     -3.645087      6.214387
  H      -5.981745     -2.694631      4.732224
  H      -0.399465     -3.625006     10.892072
  H       0.045549     -2.324765      9.766448
  H      -1.526601     -2.294235     10.580925
  H      -1.808270     -3.021967      8.200754
  H      -2.327854     -4.243262      9.348886
  H       0.392999     -6.702433      8.692511
  H      -1.022407     -6.338398      9.710273
  H       0.517906     -5.512370     10.002714
  H       1.381002     -4.801339      7.201856
  H       1.344725     -3.701409      8.594568
  H       0.517375     -3.248158      7.082318
  H      -0.457376     -5.863689      6.393100
  H      -1.453790     -4.411133      6.337095
  H      -3.627426     -5.713672      8.697772
  H      -3.868219     -4.521426      7.403473
  H      -4.630954     -6.131139      7.286683
  H      -3.092774     -8.261734      7.212433
  H      -1.318173     -8.022254      7.215426
  H      -2.289436     -7.501461      8.596729
  N      -3.701363     -3.519325      5.327961
  N      -3.613997     -2.603570      6.172080
  H      -3.506127     -1.674625      5.729950
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.623890132187
  N      -2.795744     -4.073594      2.635607
  C      -2.745928     -4.893820      1.420753
  C      -2.602041     -6.355557      1.785394
  N      -3.594715     -6.725165      2.809306
  C      -4.953028     -6.895776      2.258133
  C      -5.966191     -6.579143      3.339672
  N      -5.688827     -5.269171      3.956643
  Mo     -3.727248     -4.928486      4.228442
  N      -2.843731     -6.298921      5.417871
  C      -2.194605     -7.390247      4.683366
  C      -3.144327     -7.883745      3.608653
  H      -1.953060     -8.242382      5.332021
  H      -1.233860     -7.073878      4.229126
  H      -4.026553     -8.325458      4.091705
  H      -2.681014     -8.646962      2.956273
  H      -6.965406     -6.603793      2.877312
  H      -5.961628     -7.384359      4.100440
  H      -5.069495     -6.184163      1.430397
  H      -5.090418     -7.918012      1.859123
  H      -1.878203     -4.651573      0.790725
  H      -3.640337     -4.743510      0.779479
  H      -1.605689     -6.511718      2.223365
  H      -2.696602     -7.005762      0.895234
  C      -0.330419      1.348979      0.827315
  C      -0.788943      0.009830      1.408470
  C      -1.628345     -0.884872      0.470057
  C      -2.939326     -0.178857      0.078479
  C      -0.845600     -1.144187     -0.834513
  C      -1.883557     -2.314442      1.052103
  C      -2.407590     -2.606490      2.489325
  C      -1.295814     -2.365108      3.526121
  C      -3.632046     -1.729429      2.781792
  C      -6.376544     -2.905771      0.086209
  C      -6.649129     -3.776231      1.312304
  C      -7.832432     -3.349594      2.210155
  C      -7.672644     -1.891899      2.672460
  C      -9.145758     -3.439044      1.407303
  C      -8.009602     -4.339191      3.395784
  C      -6.934279     -4.642708      4.492447
  C      -7.602593     -5.627301      5.483760
  C      -6.605329     -3.383860      5.288452
  C      -0.823472     -2.962598     10.120928
  C      -1.464408     -3.740378      8.969779
  C      -0.551874     -4.757376      8.240484
  C      -0.124764     -5.880590      9.198626
  C       0.722106     -4.040208      7.747698
  C      -1.235265     -5.282953      6.944816
  C      -2.504892     -6.186079      6.879254
  C      -3.732919     -5.618892      7.610036
  C      -2.250308     -7.580838      7.489475
  H      -1.179520      1.969650      0.507324
  H       0.226461      1.920684      1.584699
  H       0.334195      1.218890     -0.038860
  H       0.096643     -0.559719      1.734346
  H      -1.375463      0.211645      2.318250
  H      -3.594365     -0.864296     -0.480649
  H      -3.498103      0.186801      0.948222
  H      -2.733909      0.683237     -0.570604
  H       0.146413     -1.570917     -0.623270
  H      -0.706063     -0.220825     -1.412316
  H      -1.390327     -1.856924     -1.473421
  H      -2.587077     -2.766343      0.336543
  H      -0.931535     -2.860398      0.942140
  H      -1.106785     -1.298595      3.701387
  H      -0.358033     -2.832943      3.190967
  H      -1.575261     -2.831114      4.477053
  H      -4.094918     -2.027264      3.727189
  H      -3.354112     -0.669249      2.852815
  H      -4.384024     -1.837362      1.989141
  H      -5.523012     -3.308637     -0.480650
  H      -7.236266     -2.861071     -0.599436
  H      -6.119099     -1.873573      0.366289
  H      -5.743488     -3.820543      1.934694
  H      -6.838914     -4.811986      0.977880
  H      -7.801271     -1.204739      1.823604
  H      -8.436006     -1.636937      3.422455
  H      -6.686912     -1.695731      3.111605
  H     -10.007350     -3.175982      2.040353
  H      -9.306482     -4.458835      1.024230
  H      -9.141084     -2.749548      0.551386
  H      -8.321435     -5.298283      2.950451
  H      -8.895047     -3.996899      3.958706
  H      -6.856246     -5.954124      6.223276
  H      -8.010656     -6.515505      4.981843
  H      -8.428405     -5.134132      6.015411
  H      -7.538893     -2.871058      5.558966
  H      -6.066673     -3.633714      6.209762
  H      -5.979027     -2.688626      4.723412
  H      -0.417443     -3.629021     10.897695
  H      -0.006071     -2.310701      9.780079
  H      -1.573854     -2.319259     10.603823
  H      -1.857090     -3.032252      8.220211
  H      -2.341829     -4.274842      9.361099
  H       0.427332     -6.669748      8.665783
  H      -0.987898     -6.344212      9.697926
  H       0.537859     -5.488306      9.984374
  H       1.365184     -4.735177      7.185976
  H       1.314090     -3.646337      8.585776
  H       0.466602     -3.200352      7.081807
  H      -0.458829     -5.832597      6.381493
  H      -1.479332     -4.395932      6.339973
  H      -3.629848     -5.756485      8.695659
  H      -3.887952     -4.552542      7.415448
  H      -4.626188     -6.171906      7.279806
  H      -3.052324     -8.277334      7.198908
  H      -1.282177     -8.009592      7.197208
  H      -2.256556     -7.511105      8.582942
  N      -3.696672     -3.525129      5.333375
  N      -3.597065     -2.618574      6.187317
  H      -3.483931     -1.685918      5.754921
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.623960278454
  N      -2.804247     -4.073238      2.635611
  C      -2.744569     -4.895890      1.423433
  C      -2.600043     -6.356309      1.791242
  N      -3.598055     -6.723777      2.810669
  C      -4.954152     -6.892837      2.254507
  C      -5.970796     -6.580472      3.333821
  N      -5.696105     -5.272455      3.957087
  Mo     -3.735823     -4.926868      4.228748
  N      -2.849620     -6.294745      5.420681
  C      -2.205741     -7.392310      4.690995
  C      -3.153133     -7.882090      3.612717
  H      -1.976366     -8.245668      5.341839
  H      -1.239309     -7.085169      4.242765
  H      -4.037808     -8.321535      4.093167
  H      -2.689727     -8.647291      2.962853
  H      -6.968513     -6.603402      2.868029
  H      -5.969286     -7.388226      4.091695
  H      -5.068558     -6.178357      1.428873
  H      -5.089869     -7.913547      1.851048
  H      -1.874458     -4.651944      0.797235
  H      -3.635716     -4.749041      0.777754
  H      -1.606325     -6.510115      2.235629
  H      -2.688414     -7.008985      0.902269
  C      -0.339753      1.355153      0.849289
  C      -0.791953      0.010004      1.422991
  C      -1.622153     -0.885970      0.477751
  C      -2.934193     -0.183586      0.080123
  C      -0.830038     -1.139715     -0.822273
  C      -1.876851     -2.316884      1.057384
  C      -2.407588     -2.608283      2.491809
  C      -1.298127     -2.370019      3.532260
  C      -3.630224     -1.728114      2.778483
  C      -6.373230     -2.913187      0.083441
  C      -6.655185     -3.787539      1.304600
  C      -7.835877     -3.356315      2.203511
  C      -7.668236     -1.899488      2.667526
  C      -9.149923     -3.438051      1.400759
  C      -8.017553     -4.346607      3.388756
  C      -6.945082     -4.648392      4.489806
  C      -7.614917     -5.633441      5.480813
  C      -6.622135     -3.387323      5.286267
  C      -0.794760     -2.962942     10.114461
  C      -1.447222     -3.745296      8.972574
  C      -0.539285     -4.758079      8.232049
  C      -0.098565     -5.881003      9.184398
  C       0.727634     -4.036369      7.727664
  C      -1.232784     -5.283831      6.941178
  C      -2.509394     -6.177233      6.881967
  C      -3.731903     -5.595467      7.611082
  C      -2.266856     -7.569960      7.499864
  H      -1.191581      1.970952      0.526352
  H       0.207902      1.927670      1.611647
  H       0.330908      1.233710     -0.012517
  H       0.095823     -0.555870      1.750598
  H      -1.384237      0.203944      2.330435
  H      -3.584870     -0.870377     -0.482013
  H      -3.498329      0.180131      0.947539
  H      -2.728285      0.680194     -0.567981
  H       0.162409     -1.563869     -0.605209
  H      -0.689562     -0.214179     -1.397518
  H      -1.368478     -1.852566     -1.466222
  H      -2.575793     -2.770659      0.338473
  H      -0.923224     -2.860710      0.952812
  H      -1.103292     -1.304109      3.705020
  H      -0.362011     -2.843865      3.201689
  H      -1.581864     -2.830811      4.484692
  H      -4.099365     -2.025605      3.720661
  H      -3.349531     -0.668416      2.851698
  H      -4.377826     -1.833404      1.981594
  H      -5.517343     -3.315568     -0.479670
  H      -7.228093     -2.863877     -0.606763
  H      -6.115270     -1.883086      0.369259
  H      -5.751167     -3.842723      1.926967
  H      -6.853082     -4.819482      0.964353
  H      -7.796727     -1.209952      1.820308
  H      -8.427784     -1.642444      3.420677
  H      -6.680521     -1.708518      3.103801
  H     -10.009132     -3.166974      2.033248
  H      -9.318734     -4.457705      1.019614
  H      -9.140038     -2.750059      0.543307
  H      -8.328085     -5.306336      2.942365
  H      -8.904722     -4.003820      3.949319
  H      -6.871443     -5.957062      6.225324
  H      -8.017640     -6.524415      4.978350
  H      -8.445289     -5.141056      6.007841
  H      -7.558190     -2.877371      5.555100
  H      -6.084305     -3.635276      6.209801
  H      -5.997344     -2.689686      4.722549
  H      -0.373876     -3.626292     10.885924
  H       0.014070     -2.306561      9.761658
  H      -1.541902     -2.323510     10.607664
  H      -1.853974     -3.039994      8.227709
  H      -2.316037     -4.284652      9.376336
  H       0.447020     -6.669187      8.643648
  H      -0.954242     -6.345694      9.694663
  H       0.574085     -5.488576      9.961899
  H       1.367162     -4.729022      7.159184
  H       1.326774     -3.641032      8.560705
  H       0.463423     -3.196950      7.064702
  H      -0.462534     -5.839542      6.375667
  H      -1.472618     -4.396759      6.335872
  H      -3.636478     -5.737677      8.695381
  H      -3.870764     -4.529036      7.421456
  H      -4.630541     -6.132626      7.275581
  H      -3.078290     -8.259282      7.219838
  H      -1.305670     -8.012302      7.204801
  H      -2.266343     -7.491365      8.592368
  N      -3.708543     -3.521913      5.331310
  N      -3.610955     -2.611987      6.182484
  H      -3.511304     -1.678146      5.747398
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.623997276083
  N      -2.793601     -4.083594      2.644168
  C      -2.722285     -4.907106      1.433088
  C      -2.591082     -6.367901      1.802659
  N      -3.599548     -6.727647      2.814065
  C      -4.952902     -6.886459      2.248359
  C      -5.974563     -6.574215      3.322938
  N      -5.695446     -5.271973      3.957028
  Mo     -3.734425     -4.933588      4.232954
  N      -2.854693     -6.305035      5.426833
  C      -2.221651     -7.411972      4.702147
  C      -3.168720     -7.890142      3.618085
  H      -2.011762     -8.269298      5.354401
  H      -1.246693     -7.119912      4.262001
  H      -4.059348     -8.322139      4.094359
  H      -2.709662     -8.659817      2.970263
  H      -6.969319     -6.588195      2.850671
  H      -5.983773     -7.386524      4.075517
  H      -5.058970     -6.166556      1.426190
  H      -5.091422     -7.904162      1.837784
  H      -1.841992     -4.669181      0.819280
  H      -3.603577     -4.755705      0.774961
  H      -1.602412     -6.528609      2.255619
  H      -2.676236     -7.020606      0.913337
  C      -0.387255      1.368388      0.848251
  C      -0.821026      0.017385      1.422443
  C      -1.634760     -0.892157      0.475963
  C      -2.954179     -0.207953      0.068458
  C      -0.831379     -1.139757     -0.818519
  C      -1.874201     -2.323886      1.060051
  C      -2.404325     -2.615681      2.495407
  C      -1.295868     -2.367228      3.534912
  C      -3.632958     -1.741965      2.778962
  C      -6.360797     -2.930181      0.065566
  C      -6.650216     -3.795394      1.293573
  C      -7.813045     -3.338270      2.202072
  C      -7.608757     -1.885826      2.664548
  C      -9.133805     -3.389511      1.409702
  C      -8.009943     -4.326151      3.387493
  C      -6.942790     -4.643461      4.488619
  C      -7.623165     -5.629996      5.470484
  C      -6.613622     -3.391111      5.295530
  C      -0.803599     -2.977493     10.127277
  C      -1.459240     -3.767043      8.992528
  C      -0.542311     -4.752265      8.226737
  C      -0.064422     -5.876388      9.158995
  C       0.701874     -4.000553      7.711680
  C      -1.242828     -5.278371      6.940246
  C      -2.512148     -6.181525      6.887683
  C      -3.738172     -5.605130      7.616324
  C      -2.257739     -7.569141      7.510493
  H      -1.247749      1.969549      0.519668
  H       0.146557      1.950890      1.612392
  H       0.289969      1.256212     -0.009787
  H       0.074084     -0.535521      1.753203
  H      -1.419316      0.203889      2.327507
  H      -3.593083     -0.904735     -0.494817
  H      -3.528137      0.151615      0.931477
  H      -2.755529      0.656672     -0.581766
  H       0.165179     -1.551256     -0.593805
  H      -0.698302     -0.213824     -1.395310
  H      -1.356977     -1.860437     -1.464186
  H      -2.566514     -2.788503      0.341482
  H      -0.913515     -2.856928      0.958804
  H      -1.096821     -1.299671      3.693110
  H      -0.360950     -2.849179      3.211214
  H      -1.581464     -2.813159      4.494099
  H      -4.105190     -2.042481      3.717095
  H      -3.359069     -0.681791      2.854547
  H      -4.376477     -1.849250      1.979946
  H      -5.516092     -3.348051     -0.501542
  H      -7.218024     -2.871231     -0.619695
  H      -6.085151     -1.902443      0.344919
  H      -5.742723     -3.868018      1.908011
  H      -6.873891     -4.823863      0.957835
  H      -7.731603     -1.192648      1.819721
  H      -8.353710     -1.613532      3.426283
  H      -6.613105     -1.716543      3.089432
  H      -9.980889     -3.096895      2.048133
  H      -9.330701     -4.404791      1.031267
  H      -9.112856     -2.702699      0.551396
  H      -8.335138     -5.281158      2.940720
  H      -8.891724     -3.970677      3.948800
  H      -6.885560     -5.962373      6.216887
  H      -8.028196     -6.515667      4.960411
  H      -8.453613     -5.136175      5.996328
  H      -7.546994     -2.877426      5.567347
  H      -6.079153     -3.650775      6.217571
  H      -5.983316     -2.693024      4.738991
  H      -0.351393     -3.635732     10.885011
  H      -0.018128     -2.299273      9.763539
  H      -1.555723     -2.359659     10.639913
  H      -1.898648     -3.066736      8.261929
  H      -2.305612     -4.331518      9.409692
  H       0.484625     -6.649277      8.599731
  H      -0.901799     -6.361076      9.679425
  H       0.615272     -5.480126      9.928151
  H       1.346929     -4.675602      7.128442
  H       1.304268     -3.600374      8.539690
  H       0.411801     -3.161332      7.059928
  H      -0.472860     -5.824326      6.365167
  H      -1.495334     -4.390086      6.342549
  H      -3.645368     -5.748724      8.700044
  H      -3.879919     -4.538922      7.428684
  H      -4.634218     -6.143415      7.277714
  H      -3.067103     -8.264542      7.241325
  H      -1.296345     -8.008100      7.211214
  H      -2.250770     -7.483657      8.602108
  N      -3.702287     -3.529621      5.336184
  N      -3.600744     -2.621479      6.189055
  H      -3.496583     -1.687095      5.755581
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624043049729
  N      -2.809393     -4.083848      2.640920
  C      -2.727447     -4.910793      1.433722
  C      -2.595664     -6.371026      1.807325
  N      -3.609034     -6.727945      2.815642
  C      -4.959868     -6.888732      2.245666
  C      -5.985442     -6.580250      3.317652
  N      -5.709514     -5.279405      3.955409
  Mo     -3.749568     -4.932536      4.231066
  N      -2.866171     -6.299116      5.429212
  C      -2.237740     -7.412021      4.711058
  C      -3.181473     -7.888961      3.623736
  H      -2.039883     -8.269941      5.367081
  H      -1.257553     -7.128441      4.277004
  H      -4.073280     -8.320650      4.098414
  H      -2.720913     -8.659909      2.978520
  H      -6.978367     -6.593429      2.842415
  H      -5.998192     -7.394060      4.068552
  H      -5.065318     -6.167197      1.424710
  H      -5.094825     -7.905786      1.832519
  H      -1.845926     -4.670362      0.822296
  H      -3.607044     -4.764222      0.772439
  H      -1.609363     -6.530164      2.265944
  H      -2.676182     -7.026671      0.919788
  C      -0.375815      1.365538      0.867734
  C      -0.808330      0.012015      1.436801
  C      -1.616428     -0.897164      0.484818
  C      -2.931098     -0.211298      0.066640
  C      -0.803435     -1.145536     -0.803098
  C      -1.864147     -2.328724      1.065961
  C      -2.402870     -2.619470      2.497971
  C      -1.296748     -2.381872      3.542129
  C      -3.625604     -1.737013      2.778521
  C      -6.350639     -2.924404      0.080573
  C      -6.647227     -3.791995      1.305342
  C      -7.820362     -3.340217      2.204768
  C      -7.625779     -1.888341      2.673631
  C      -9.134765     -3.392798      1.400627
  C      -8.022642     -4.334216      3.383767
  C      -6.959160     -4.656111      4.486388
  C      -7.639688     -5.650706      5.458985
  C      -6.633867     -3.409551      5.302305
  C      -0.780285     -2.979547     10.124971
  C      -1.449685     -3.776313      9.003399
  C      -0.534530     -4.740051      8.208946
  C      -0.024445     -5.868158      9.118849
  C       0.690462     -3.968027      7.678550
  C      -1.250521     -5.262839      6.929532
  C      -2.519461     -6.167689      6.888446
  C      -3.744451     -5.587605      7.616097
  C      -2.260127     -7.550976      7.517735
  H      -1.236865      1.964043      0.536151
  H       0.151903      1.948263      1.636569
  H       0.306454      1.258106      0.012762
  H       0.086709     -0.540095      1.768394
  H      -1.410313      0.194461      2.339980
  H      -3.566506     -0.907035     -0.501751
  H      -3.511648      0.149160      0.924603
  H      -2.725335      0.652971     -0.581441
  H       0.189486     -1.560348     -0.569787
  H      -0.661782     -0.219263     -1.377232
  H      -1.325922     -1.863215     -1.454537
  H      -2.554511     -2.789162      0.343711
  H      -0.905939     -2.866255      0.968478
  H      -1.086197     -1.316543      3.698127
  H      -0.366330     -2.875288      3.223481
  H      -1.589442     -2.819587      4.503156
  H      -4.106875     -2.039822      3.711918
  H      -3.343818     -0.679053      2.862162
  H      -4.365392     -1.833438      1.974557
  H      -5.494236     -3.335944     -0.475626
  H      -7.200040     -2.874232     -0.616348
  H      -6.088881     -1.893547      0.363405
  H      -5.743821     -3.861604      1.927912
  H      -6.863729     -4.821873      0.965428
  H      -7.749910     -1.192753      1.830396
  H      -8.374716     -1.621738      3.434723
  H      -6.631603     -1.716106      3.102358
  H      -9.988342     -3.101764      2.032313
  H      -9.326610     -4.407611      1.018718
  H      -9.108290     -2.704847      0.543592
  H      -8.342282     -5.286655      2.929171
  H      -8.908685     -3.984816      3.942022
  H      -6.901209     -5.988713      6.201525
  H      -8.044021     -6.531789      4.941537
  H      -8.469880     -5.162285      5.988579
  H      -7.568134     -2.900420      5.578741
  H      -6.098597     -3.675523      6.220981
  H      -6.005941     -2.706216      4.750476
  H      -0.294393     -3.632230     10.866340
  H      -0.019125     -2.283358      9.744181
  H      -1.530532     -2.379938     10.661312
  H      -1.922579     -3.081241      8.288936
  H      -2.272151     -4.360623      9.440423
  H       0.518237     -6.629803      8.538416
  H      -0.844416     -6.366283      9.652815
  H       0.669231     -5.473608      9.876212
  H       1.333607     -4.630900      7.079696
  H       1.301696     -3.565629      8.498998
  H       0.379157     -3.128541      7.037499
  H      -0.486183     -5.804187      6.343212
  H      -1.510775     -4.371625      6.339290
  H      -3.651547     -5.728255      8.701678
  H      -3.885666     -4.520136      7.423905
  H      -4.642952     -6.126472      7.278367
  H      -3.075798     -8.246140      7.265907
  H      -1.304597     -7.995180      7.207669
  H      -2.237662     -7.457290      8.609129
  N      -3.723379     -3.523767      5.329220
  N      -3.624148     -2.608566      6.174992
  H      -3.545406     -1.674722      5.736070
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624070750231
  N      -2.805990     -4.085462      2.646034
  C      -2.724300     -4.912177      1.438353
  C      -2.596187     -6.372888      1.811903
  N      -3.609820     -6.728932      2.820229
  C      -4.960596     -6.890455      2.250131
  C      -5.986884     -6.578814      3.320866
  N      -5.710451     -5.276861      3.955104
  Mo     -3.749847     -4.932658      4.234254
  N      -2.867610     -6.299373      5.432540
  C      -2.238536     -7.411660      4.714321
  C      -3.182644     -7.890115      3.628328
  H      -2.037466     -8.268820      5.370532
  H      -1.259768     -7.126227      4.277963
  H      -4.074456     -8.321335      4.103538
  H      -2.722350     -8.661151      2.982897
  H      -6.979649     -6.592095      2.844886
  H      -6.000846     -7.391168      4.073696
  H      -5.064915     -6.170896      1.427288
  H      -5.095804     -7.908601      1.839784
  H      -1.840937     -4.674102      0.828835
  H      -3.602699     -4.763742      0.775170
  H      -1.609860     -6.534626      2.269687
  H      -2.678916     -7.027560      0.923972
  C      -0.380909      1.366634      0.866575
  C      -0.810874      0.013244      1.437496
  C      -1.619178     -0.897726      0.487747
  C      -2.935422     -0.213947      0.071065
  C      -0.808391     -1.146064     -0.801557
  C      -1.864367     -2.329623      1.069923
  C      -2.401151     -2.620467      2.502289
  C      -1.293588     -2.383840      3.544337
  C      -3.622691     -1.736834      2.783178
  C      -6.353857     -2.922202      0.072678
  C      -6.646931     -3.789175      1.297458
  C      -7.822864     -3.340873      2.194949
  C      -7.633489     -1.888049      2.662682
  C      -9.136202     -3.399445      1.389119
  C      -8.022410     -4.333039      3.375953
  C      -6.960078     -4.649311      4.481672
  C      -7.642031     -5.638945      5.459417
  C      -6.635688     -3.396701      5.290107
  C      -0.773252     -2.992975     10.135758
  C      -1.444919     -3.784840      9.012407
  C      -0.530765     -4.741367      8.208314
  C      -0.013335     -5.873027      9.109286
  C       0.690023     -3.964020      7.675743
  C      -1.252272     -5.259000      6.930023
  C      -2.519582     -6.166203      6.891490
  C      -3.744901     -5.588489      7.620383
  C      -2.255749     -7.547737      7.522341
  H      -1.242902      1.963572      0.534866
  H       0.146368      1.950917      1.634607
  H       0.301215      1.259246      0.011409
  H       0.085316     -0.537425      1.768087
  H      -1.411431      0.195938      2.341529
  H      -3.568808     -0.910282     -0.498819
  H      -3.517079      0.143019      0.929733
  H      -2.731979      0.651992     -0.575257
  H       0.184981     -1.560568     -0.569955
  H      -0.668179     -0.219923     -1.376208
  H      -1.331961     -1.863897     -1.451757
  H      -2.555445     -2.790738      0.348792
  H      -0.906178     -2.866692      0.971541
  H      -1.079185     -1.318605      3.695630
  H      -0.365577     -2.881419      3.225513
  H      -1.585931     -2.817410      4.507266
  H      -4.102827     -2.038540      3.717386
  H      -3.339836     -0.678588      2.864975
  H      -4.363806     -1.833786      1.980495
  H      -5.497138     -3.331657     -0.484507
  H      -7.204513     -2.875163     -0.622502
  H      -6.094360     -1.891201      0.353945
  H      -5.743548     -3.853010      1.920409
  H      -6.858383     -4.819757      0.959439
  H      -7.756860     -1.193992      1.818178
  H      -8.385270     -1.622420      3.421312
  H      -6.640631     -1.712860      3.094049
  H      -9.991798     -3.111946      2.019859
  H      -9.323215     -4.415574      1.007412
  H      -9.111776     -2.711722      0.531717
  H      -8.338345     -5.287868      2.922966
  H      -8.910170     -3.984485      3.931982
  H      -6.903604     -5.974692      6.203556
  H      -8.047602     -6.522056      4.945889
  H      -8.471610     -5.146773      5.986961
  H      -7.570254     -2.887541      5.564941
  H      -6.097950     -3.656067      6.210090
  H      -6.009932     -2.695503      4.732311
  H      -0.282518     -3.648648     10.870845
  H      -0.016066     -2.292255      9.755921
  H      -1.522982     -2.398864     10.679052
  H      -1.922502     -3.087307      8.304463
  H      -2.263709     -4.374172      9.449667
  H       0.527879     -6.629765      8.521177
  H      -0.829248     -6.376470      9.644809
  H       0.683508     -5.481279      9.865090
  H       1.332076     -4.622879      7.071164
  H       1.303455     -3.563587      8.495070
  H       0.374336     -3.122876      7.039467
  H      -0.490286     -5.796387      6.336705
  H      -1.517240     -4.365583      6.345511
  H      -3.651282     -5.727525      8.706175
  H      -3.888334     -4.521770      7.427586
  H      -4.641620     -6.130501      7.283364
  H      -3.069772     -8.246200      7.272612
  H      -1.299289     -7.989506      7.211465
  H      -2.231956     -7.452100      8.613864
  N      -3.723234     -3.525560      5.334105
  N      -3.620327     -2.613504      6.182398
  H      -3.535724     -1.679607      5.745454
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624093401444
  N      -2.806570     -4.084862      2.649457
  C      -2.722400     -4.912366      1.442405
  C      -2.594995     -6.372887      1.817113
  N      -3.609723     -6.728789      2.824397
  C      -4.959818     -6.890678      2.252326
  C      -5.987578     -6.577041      3.321195
  N      -5.711704     -5.274785      3.954112
  Mo     -3.751043     -4.931815      4.236719
  N      -2.870699     -6.298504      5.436422
  C      -2.240543     -7.410854      4.719419
  C      -3.183623     -7.890023      3.632864
  H      -2.038879     -8.267474      5.376019
  H      -1.261712     -7.124975      4.283373
  H      -4.076105     -8.321043      4.106878
  H      -2.722571     -8.660894      2.987788
  H      -6.979640     -6.590459      2.843344
  H      -6.002863     -7.388916      4.074608
  H      -5.062457     -6.172332      1.428306
  H      -5.094708     -7.909565      1.843832
  H      -1.837813     -4.674663      0.834523
  H      -3.599555     -4.764941      0.777101
  H      -1.609040     -6.535259      2.275493
  H      -2.677753     -7.027206      0.928967
  C      -0.381434      1.365487      0.861724
  C      -0.811102      0.013421      1.435140
  C      -1.621484     -0.898703      0.488080
  C      -2.937498     -0.214888      0.071152
  C      -0.812659     -1.150444     -0.802144
  C      -1.866950     -2.329597      1.072616
  C      -2.402980     -2.619706      2.505777
  C      -1.294747     -2.382990      3.546905
  C      -3.624948     -1.736480      2.787406
  C      -6.352726     -2.923773      0.066924
  C      -6.644971     -3.788147      1.293074
  C      -7.822057     -3.339342      2.188458
  C      -7.633808     -1.885701      2.653771
  C      -9.134417     -3.400477      1.381467
  C      -8.021964     -4.329554      3.371122
  C      -6.961118     -4.645641      4.478283
  C      -7.645275     -5.634351      5.455747
  C      -6.636523     -3.393413      5.286997
  C      -0.769590     -3.011003     10.149408
  C      -1.442954     -3.799493      9.025083
  C      -0.526997     -4.742368      8.207276
  C       0.007480     -5.876926      9.095587
  C       0.683883     -3.951393      7.670845
  C      -1.255464     -5.254938      6.930912
  C      -2.521731     -6.163554      6.895034
  C      -3.746371     -5.585938      7.625125
  C      -2.256877     -7.543861      7.527759
  H      -1.243460      1.962050      0.530099
  H       0.146632      1.950917      1.628618
  H       0.299973      1.256505      0.006035
  H       0.085468     -0.537062      1.764535
  H      -1.409359      0.198024      2.340477
  H      -3.570409     -0.911282     -0.499682
  H      -3.519757      0.141614      0.929656
  H      -2.733738      0.650858     -0.574867
  H       0.180354     -1.566083     -0.571270
  H      -0.671763     -0.225570     -1.378365
  H      -1.338341     -1.868434     -1.450664
  H      -2.558997     -2.791256      0.352374
  H      -0.909202     -2.867456      0.974122
  H      -1.078092     -1.317411      3.693263
  H      -0.367832     -2.883190      3.228901
  H      -1.587044     -2.811223      4.512233
  H      -4.105140     -2.039457      3.721693
  H      -3.341755     -0.678456      2.870491
  H      -4.366479     -1.832372      1.984376
  H      -5.497541     -3.335064     -0.490824
  H      -7.204672     -2.876962     -0.626688
  H      -6.091370     -1.892892      0.345682
  H      -5.741946     -3.848236      1.916561
  H      -6.854356     -4.819502      0.958193
  H      -7.756297     -1.193352      1.807894
  H      -8.386308     -1.619043      3.410858
  H      -6.641531     -1.709418      3.085859
  H      -9.990896     -3.114551      2.011390
  H      -9.319180     -4.417227      1.000078
  H      -9.110629     -2.713097      0.523797
  H      -8.337952     -5.285057      2.919388
  H      -8.910122     -3.979905      3.925634
  H      -6.907402     -5.971714      6.199737
  H      -8.052563     -6.516434      4.941880
  H      -8.474013     -5.140758      5.983340
  H      -7.571052     -2.883816      5.561232
  H      -6.099354     -3.653229      6.207010
  H      -6.010028     -2.692653      4.729463
  H      -0.267022     -3.668600     10.874697
  H      -0.022184     -2.300200      9.769245
  H      -1.520139     -2.428334     10.703734
  H      -1.930877     -3.100246      8.326214
  H      -2.253629     -4.399082      9.463723
  H       0.547528     -6.625641      8.496179
  H      -0.799500     -6.390542      9.636018
  H       0.709988     -5.486059      9.846804
  H       1.326297     -4.601108      7.056681
  H       1.300537     -3.552151      8.488222
  H       0.357135     -3.107924      7.042807
  H      -0.496450     -5.787456      6.329335
  H      -1.525894     -4.358661      6.353303
  H      -3.652873     -5.725602      8.710393
  H      -3.889152     -4.519493      7.433908
  H      -4.643000     -6.126795      7.287927
  H      -3.070101     -8.243044      7.278793
  H      -1.300345     -7.985674      7.217976
  H      -2.233416     -7.446638      8.618697
  N      -3.724902     -3.524575      5.336441
  N      -3.621955     -2.613745      6.186170
  H      -3.537257     -1.679698      5.748985
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624217918044
  N      -2.812027     -4.085321      2.660672
  C      -2.715035     -4.918346      1.458386
  C      -2.593052     -6.377440      1.840123
  N      -3.615250     -6.728544      2.841697
  C      -4.961826     -6.890332      2.260046
  C      -5.996231     -6.570096      3.320849
  N      -5.721553     -5.267623      3.951629
  Mo     -3.760662     -4.927901      4.245431
  N      -2.887281     -6.292514      5.452959
  C      -2.258090     -7.410390      4.744500
  C      -3.197251     -7.889707      3.654524
  H      -2.062907     -8.265209      5.405238
  H      -1.275530     -7.130530      4.312455
  H      -4.093971     -8.316713      4.123826
  H      -2.735001     -8.662765      3.012924
  H      -6.984701     -6.582196      2.834709
  H      -6.019348     -7.380877      4.075348
  H      -5.056896     -6.175386      1.432377
  H      -5.095478     -7.911233      1.856328
  H      -1.823861     -4.684031      0.859004
  H      -3.584990     -4.774828      0.782657
  H      -1.610398     -6.542223      2.304462
  H      -2.673519     -7.032946      0.952667
  C      -0.400054      1.366618      0.855456
  C      -0.820067      0.013843      1.433159
  C      -1.626866     -0.906103      0.490838
  C      -2.944504     -0.229449      0.067627
  C      -0.816279     -1.162946     -0.797675
  C      -1.868929     -2.334865      1.082308
  C      -2.406598     -2.621230      2.516318
  C      -1.297723     -2.384548      3.556238
  C      -3.627610     -1.736052      2.795736
  C      -6.336542     -2.939047      0.045321
  C      -6.633762     -3.791128      1.278151
  C      -7.815306     -3.334541      2.163133
  C      -7.624935     -1.879488      2.622037
  C      -9.122600     -3.397288      1.349058
  C      -8.024213     -4.317370      3.350550
  C      -6.971364     -4.632310      4.465300
  C      -7.664726     -5.615659      5.443018
  C      -6.648068     -3.378616      5.272243
  C      -0.736581     -3.095223     10.213077
  C      -1.426815     -3.863993      9.086496
  C      -0.511639     -4.739947      8.197102
  C       0.101714     -5.888475      9.016349
  C       0.649923     -3.886640      7.644263
  C      -1.274649     -5.227264      6.931410
  C      -2.533511     -6.146274      6.909369
  C      -3.759504     -5.572298      7.640943
  C      -2.256988     -7.519120      7.552115
  H      -1.265925      1.955700      0.521407
  H       0.122381      1.958568      1.621474
  H       0.283477      1.259892      0.001055
  H       0.080741     -0.530334      1.760874
  H      -1.415688      0.198038      2.340283
  H      -3.569302     -0.929344     -0.508943
  H      -3.534537      0.121577      0.923221
  H      -2.742122      0.637901     -0.576365
  H       0.176763     -1.576960     -0.563998
  H      -0.675417     -0.240437     -1.377700
  H      -1.341266     -1.883805     -1.443725
  H      -2.559667     -2.801546      0.363291
  H      -0.910225     -2.871539      0.987473
  H      -1.066980     -1.318774      3.680902
  H      -0.377173     -2.901211      3.246240
  H      -1.593914     -2.787277      4.531517
  H      -4.113170     -2.042400      3.726975
  H      -3.340812     -0.679292      2.885052
  H      -4.366373     -1.826148      1.988501
  H      -5.483555     -3.359433     -0.508201
  H      -7.188570     -2.894286     -0.648691
  H      -6.069570     -1.907159      0.314138
  H      -5.733852     -3.842205      1.906277
  H      -6.840171     -4.825555      0.954405
  H      -7.739792     -1.191215      1.772174
  H      -8.380043     -1.606613      3.373209
  H      -6.634491     -1.704831      3.058628
  H      -9.982157     -3.111630      1.973894
  H      -9.304652     -4.414643      0.968218
  H      -9.094601     -2.711191      0.490792
  H      -8.340673     -5.274564      2.902284
  H      -8.914622     -3.961839      3.897151
  H      -6.929935     -5.957170      6.188698
  H      -8.076867     -6.495642      4.929021
  H      -8.491373     -5.115796      5.968465
  H      -7.583216     -2.867324      5.541766
  H      -6.114019     -3.637174      6.194559
  H      -6.019075     -2.680132      4.714626
  H      -0.177206     -3.761348     10.886885
  H      -0.035913     -2.339513      9.831246
  H      -1.483858     -2.566535     10.823260
  H      -1.966310     -3.156567      8.436262
  H      -2.195845     -4.511244      9.532736
  H       0.630853     -6.597135      8.360932
  H      -0.660261     -6.448576      9.577619
  H       0.832323     -5.504625      9.744157
  H       1.288500     -4.490374      6.980580
  H       1.285528     -3.497517      8.451388
  H       0.270873     -3.031712      7.062252
  H      -0.529548     -5.734713      6.291509
  H      -1.571970     -4.318398      6.387598
  H      -3.667334     -5.712610      8.725370
  H      -3.904779     -4.505896      7.452600
  H      -4.654248     -6.113876      7.302276
  H      -3.067651     -8.224311      7.314654
  H      -1.300723     -7.959629      7.241344
  H      -2.227427     -7.411374      8.641169
  N      -3.737012     -3.518502      5.342435
  N      -3.633344     -2.607667      6.192931
  H      -3.561592     -1.673086      5.754049
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624315198177
  N      -2.828861     -4.085294      2.663370
  C      -2.726723     -4.924695      1.466371
  C      -2.611101     -6.382522      1.853834
  N      -3.638318     -6.724315      2.852809
  C      -4.982001     -6.895169      2.271581
  C      -6.020384     -6.572828      3.329295
  N      -5.747171     -5.265426      3.953637
  Mo     -3.787903     -4.917915      4.248816
  N      -2.908131     -6.271494      5.464201
  C      -2.281569     -7.393453      4.760868
  C      -3.220072     -7.878593      3.675010
  H      -2.091448     -8.245710      5.426856
  H      -1.298020     -7.119216      4.328666
  H      -4.115626     -8.303044      4.148886
  H      -2.757554     -8.657467      3.040988
  H      -7.007479     -6.590291      2.843781
  H      -6.045759     -7.377701      4.090997
  H      -5.081415     -6.185302      1.439066
  H      -5.109339     -7.918041      1.870497
  H      -1.830969     -4.696531      0.871330
  H      -3.591073     -4.780185      0.784689
  H      -1.631952     -6.545410      2.326382
  H      -2.684108     -7.045293      0.971177
  C      -0.347873      1.336368      0.847912
  C      -0.785481     -0.009337      1.431155
  C      -1.592988     -0.927649      0.486223
  C      -2.899310     -0.241366      0.048535
  C      -0.770147     -1.195370     -0.791244
  C      -1.853319     -2.350124      1.082041
  C      -2.407603     -2.624125      2.510832
  C      -1.306559     -2.387316      3.558275
  C      -3.620272     -1.725017      2.774001
  C      -6.334591     -2.948787      0.041770
  C      -6.643151     -3.800070      1.272909
  C      -7.830752     -3.338782      2.149757
  C      -7.644833     -1.878444      2.600881
  C      -9.133208     -3.402409      1.324149
  C      -8.050712     -4.318286      3.340251
  C      -7.001400     -4.629523      4.460988
  C      -7.693606     -5.611412      5.438241
  C      -6.681222     -3.372620      5.264072
  C      -0.702214     -3.264253     10.348310
  C      -1.419011     -3.982931      9.203647
  C      -0.507428     -4.700692      8.178554
  C       0.261579     -5.851730      8.855437
  C       0.535540     -3.704585      7.622407
  C      -1.310535     -5.156857      6.925917
  C      -2.541116     -6.114913      6.917128
  C      -3.773505     -5.562685      7.657441
  C      -2.225381     -7.480453      7.555727
  H      -1.207594      1.929367      0.505474
  H       0.175531      1.929701      1.612609
  H       0.337891      1.217512     -0.002966
  H       0.107179     -0.560270      1.768582
  H      -1.386871      0.185682      2.331463
  H      -3.526293     -0.937568     -0.526710
  H      -3.490117      0.122808      0.897202
  H      -2.682965      0.619594     -0.599059
  H       0.217183     -1.614349     -0.545967
  H      -0.617069     -0.275797     -1.371583
  H      -1.291273     -1.915658     -1.440663
  H      -2.536612     -2.816500      0.359631
  H      -0.897020     -2.891705      0.997963
  H      -1.061369     -1.325856      3.676710
  H      -0.391598     -2.921830      3.264943
  H      -1.617599     -2.778061      4.533365
  H      -4.115980     -2.019577      3.701033
  H      -3.325470     -0.669656      2.857888
  H      -4.352009     -1.814642      1.963792
  H      -5.476777     -3.369542     -0.506903
  H      -7.178456     -2.903398     -0.659010
  H      -6.070620     -1.918570      0.315719
  H      -5.746652     -3.858999      1.907579
  H      -6.852355     -4.834435      0.942307
  H      -7.754493     -1.195634      1.743569
  H      -8.407810     -1.598820      3.346141
  H      -6.657310     -1.699561      3.044451
  H      -9.998985     -3.107221      1.940241
  H      -9.316282     -4.422112      0.946920
  H      -9.093758     -2.720795      0.461286
  H      -8.367351     -5.275085      2.892119
  H      -8.943086     -3.959411      3.883783
  H      -6.955620     -5.948860      6.182456
  H      -8.100619     -6.493228      4.924479
  H      -8.521302     -5.115678      5.963780
  H      -7.617220     -2.860586      5.527878
  H      -6.153435     -3.627671      6.190204
  H      -6.049609     -2.675524      4.707866
  H      -0.044957     -3.941352     10.916917
  H      -0.086623     -2.425907      9.990303
  H      -1.438552     -2.851595     11.054370
  H      -2.058694     -3.265940      8.658315
  H      -2.103481     -4.728586      9.637701
  H       0.800572     -6.456640      8.110470
  H      -0.402001     -6.520743      9.423980
  H       1.010954     -5.458335      9.559006
  H       1.167922     -4.183323      6.858175
  H       1.204936     -3.334763      8.413515
  H       0.034939     -2.839455      7.156414
  H      -0.571336     -5.607900      6.239608
  H      -1.663756     -4.240615      6.431795
  H      -3.669980     -5.697487      8.743967
  H      -3.936178     -4.498759      7.462820
  H      -4.663828     -6.119780      7.324654
  H      -3.026573     -8.205843      7.334553
  H      -1.262377     -7.899046      7.229396
  H      -2.182263     -7.367203      8.647824
  N      -3.772133     -3.504193      5.343399
  N      -3.666674     -2.591102      6.186757
  H      -3.600487     -1.657801      5.744014
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624546869460
  N      -2.830938     -4.077833      2.671175
  C      -2.719801     -4.919936      1.476604
  C      -2.599269     -6.376164      1.868732
  N      -3.628778     -6.721992      2.864488
  C      -4.970801     -6.889900      2.273733
  C      -6.013467     -6.562452      3.324189
  N      -5.744618     -5.254956      3.947753
  Mo     -3.786366     -4.912807      4.254892
  N      -2.915812     -6.268717      5.475724
  C      -2.281457     -7.390310      4.778406
  C      -3.213953     -7.877736      3.686700
  H      -2.088847     -8.240063      5.446599
  H      -1.296564     -7.112974      4.350167
  H      -4.112678     -8.302668      4.153857
  H      -2.747402     -8.654136      3.052701
  H      -6.997611     -6.580223      2.830521
  H      -6.041524     -7.367484      4.084501
  H      -5.060334     -6.182871      1.438724
  H      -5.100062     -7.914411      1.878197
  H      -1.822488     -4.688783      0.884731
  H      -3.582062     -4.782550      0.790310
  H      -1.620312     -6.536518      2.342182
  H      -2.671219     -7.037663      0.984823
  C      -0.385608      1.354485      0.847389
  C      -0.811419      0.006067      1.431560
  C      -1.614625     -0.918568      0.491322
  C      -2.927458     -0.241893      0.054596
  C      -0.795518     -1.186437     -0.789060
  C      -1.864504     -2.341735      1.091680
  C      -2.415915     -2.617403      2.522754
  C      -1.313690     -2.378756      3.569170
  C      -3.633618     -1.724305      2.788400
  C      -6.320544     -2.982563      0.016516
  C      -6.631008     -3.815792      1.260511
  C      -7.818390     -3.343204      2.130179
  C      -7.624066     -1.883850      2.575052
  C      -9.118918     -3.407779      1.305866
  C      -8.043924     -4.311830      3.326897
  C      -6.998328     -4.618541      4.450095
  C      -7.695480     -5.596131      5.430236
  C      -6.680862     -3.359546      5.251521
  C      -0.657749     -3.279265     10.345334
  C      -1.387360     -3.982663      9.200123
  C      -0.493107     -4.723819      8.178473
  C       0.249910     -5.890195      8.851927
  C       0.570448     -3.755028      7.620491
  C      -1.309581     -5.165278      6.930718
  C      -2.552937     -6.105413      6.927769
  C      -3.781350     -5.535628      7.661030
  C      -2.256145     -7.467108      7.583785
  H      -1.248546      1.943109      0.505311
  H       0.133505      1.950616      1.611754
  H       0.301719      1.240714     -0.002397
  H       0.086594     -0.537916      1.767067
  H      -1.410677      0.197706      2.334121
  H      -3.546517     -0.942403     -0.526605
  H      -3.525094      0.111311      0.903765
  H      -2.718380      0.624090     -0.589516
  H       0.194729     -1.601705     -0.546058
  H      -0.648299     -0.267897     -1.373837
  H      -1.317690     -1.910184     -1.433789
  H      -2.549055     -2.812866      0.370607
  H      -0.905786     -2.880387      1.009250
  H      -1.065929     -1.315069      3.673223
  H      -0.399097     -2.916167      3.277431
  H      -1.623158     -2.753778      4.551055
  H      -4.131034     -2.026892      3.713856
  H      -3.340365     -0.669604      2.880877
  H      -4.363231     -1.809621      1.973320
  H      -5.471101     -3.420203     -0.530127
  H      -7.169439     -2.935756     -0.680460
  H      -6.041218     -1.950265      0.273580
  H      -5.736234     -3.860556      1.896629
  H      -6.837707     -4.855275      0.949739
  H      -7.724367     -1.203950      1.716176
  H      -8.386723     -1.597934      3.314914
  H      -6.637897     -1.710390      3.021071
  H      -9.983725     -3.116707      1.921958
  H      -9.299908     -4.426884      0.929158
  H      -9.081329     -2.726449      0.444021
  H      -8.362278     -5.272162      2.887171
  H      -8.936503     -3.945676      3.863324
  H      -6.961247     -5.933425      6.178409
  H      -8.106039     -6.478823      4.919687
  H      -8.522946     -5.093743      5.951396
  H      -7.618611     -2.848622      5.512619
  H      -6.152152     -3.611939      6.178298
  H      -6.049845     -2.662362      4.694106
  H      -0.017330     -3.971107     10.911915
  H      -0.026164     -2.454025      9.988028
  H      -1.383755     -2.851189     11.052328
  H      -2.001823     -3.249989      8.652790
  H      -2.090828     -4.709380      9.633111
  H       0.764244     -6.508963      8.100546
  H      -0.424158     -6.542120      9.423401
  H       1.015447     -5.517444      9.548206
  H       1.185853     -4.252445      6.854738
  H       1.247898     -3.401319      8.410071
  H       0.095041     -2.878003      7.155007
  H      -0.584863     -5.627568      6.236859
  H      -1.649773     -4.241240      6.441735
  H      -3.686209     -5.669594      8.746321
  H      -3.933611     -4.470089      7.467777
  H      -4.674637     -6.083909      7.326280
  H      -3.064648     -8.182464      7.366619
  H      -1.299495     -7.904105      7.268089
  H      -2.214844     -7.341626      8.672218
  N      -3.773820     -3.497221      5.344753
  N      -3.674560     -2.582339      6.191016
  H      -3.624714     -1.648035      5.747993
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5707.508468078026
  N      -2.818380     -4.086188      2.668437
  C      -2.698757     -4.928864      1.475236
  C      -2.582030     -6.385185      1.870252
  N      -3.621284     -6.728938      2.856784
  C      -4.959908     -6.887140      2.256798
  C      -6.007126     -6.567191      3.304644
  N      -5.737930     -5.265698      3.942589
  Mo     -3.780552     -4.922496      4.249857
  N      -2.917072     -6.280036      5.474666
  C      -2.293133     -7.411541      4.782910
  C      -3.221390     -7.887457      3.682450
  H      -2.121715     -8.264316      5.453593
  H      -1.298952     -7.150027      4.365375
  H      -4.127393     -8.305110      4.142411
  H      -2.756605     -8.668468      3.052615
  H      -6.989349     -6.576903      2.806829
  H      -6.041030     -7.378392      4.057772
  H      -5.042920     -6.171978      1.428072
  H      -5.090588     -7.906935      1.849369
  H      -1.796414     -4.697985      0.890422
  H      -3.555368     -4.789473      0.781968
  H      -1.608076     -6.542825      2.354885
  H      -2.643005     -7.049535      0.987596
  C      -0.409453      1.367369      0.863414
  C      -0.827673      0.013935      1.443087
  C      -1.613058     -0.917519      0.494633
  C      -2.930012     -0.253367      0.049490
  C      -0.781624     -1.174745     -0.779526
  C      -1.851790     -2.344554      1.092454
  C      -2.410466     -2.623916      2.519684
  C      -1.316747     -2.377147      3.573972
  C      -3.636155     -1.738515      2.775799
  C      -6.324806     -2.937138      0.041305
  C      -6.634924     -3.795986      1.266917
  C      -7.819750     -3.337091      2.147183
  C      -7.627427     -1.883316      2.609904
  C      -9.122973     -3.392449      1.325282
  C      -8.040695     -4.320631      3.331574
  C      -6.994399     -4.638784      4.451811
  C      -7.690085     -5.629833      5.419035
  C      -6.682343     -3.388684      5.268767
  C      -0.662154     -3.204672     10.281575
  C      -1.384301     -3.936176      9.147665
  C      -0.488152     -4.732114      8.170940
  C       0.207982     -5.892687      8.898461
  C       0.607691     -3.806971      7.604379
  C      -1.288556     -5.198036      6.921907
  C      -2.551810     -6.111047      6.925616
  C      -3.769530     -5.510501      7.651732
  C      -2.280590     -7.471167      7.595298
  H      -1.275628      1.950249      0.517948
  H       0.102659      1.965626      1.630803
  H       0.282358      1.260803      0.016094
  H       0.072194     -0.521413      1.788470
  H      -1.439274      0.198071      2.339149
  H      -3.545062     -0.963428     -0.524536
  H      -3.530036      0.104638      0.894933
  H      -2.726157      0.608366     -0.602552
  H       0.212157     -1.577158     -0.528994
  H      -0.642232     -0.254535     -1.364168
  H      -1.289757     -1.905845     -1.427148
  H      -2.525033     -2.823398      0.365433
  H      -0.886016     -2.871793      1.018659
  H      -1.080842     -1.311608      3.688062
  H      -0.394398     -2.904087      3.286911
  H      -1.631637     -2.763436      4.550156
  H      -4.132699     -2.037966      3.702784
  H      -3.352712     -0.680273      2.860472
  H      -4.363018     -1.836623      1.959455
  H      -5.466531     -3.356787     -0.505735
  H      -7.169809     -2.884628     -0.661601
  H      -6.056972     -1.907113      0.320231
  H      -5.739012     -3.858285      1.900733
  H      -6.845140     -4.827806      0.933069
  H      -7.734574     -1.192937      1.760408
  H      -8.387393     -1.609364      3.356665
  H      -6.639474     -1.712449      3.053669
  H      -9.985077     -3.099117      1.943976
  H      -9.309403     -4.409230      0.944876
  H      -9.084160     -2.707991      0.465869
  H      -8.357952     -5.275610      2.880415
  H      -8.932869     -3.962630      3.873833
  H      -6.959924     -5.968707      6.170185
  H      -8.091265     -6.510937      4.898939
  H      -8.524539     -5.137372      5.938633
  H      -7.621938     -2.882814      5.532527
  H      -6.156728     -3.650240      6.194818
  H      -6.051137     -2.683368      4.722887
  H      -0.050792     -3.888128     10.889561
  H      -0.002605     -2.409330      9.906841
  H      -1.392277     -2.732639     10.954857
  H      -1.972996     -3.211150      8.561376
  H      -2.112629     -4.629873      9.593573
  H       0.732772     -6.544292      8.182776
  H      -0.498526     -6.511630      9.464625
  H       0.957355     -5.514312      9.609135
  H       1.219295     -4.343529      6.863192
  H       1.282268     -3.448987      8.394766
  H       0.164202     -2.931402      7.106062
  H      -0.561426     -5.703508      6.262099
  H      -1.594663     -4.284619      6.392536
  H      -3.678944     -5.638473      8.737987
  H      -3.900350     -4.444316      7.450586
  H      -4.672587     -6.043715      7.319923
  H      -3.106771     -8.171078      7.392960
  H      -1.336080     -7.932125      7.275772
  H      -2.227493     -7.333451      8.682160
  N      -3.771379     -3.503686      5.334014
  N      -3.680179     -2.579712      6.171819
  H      -3.634825     -1.647990      5.724119
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624019119460
  N      -2.805393     -4.094836      2.668283
  C      -2.669736     -4.941700      1.480014
  C      -2.558299     -6.397014      1.883018
  N      -3.613385     -6.736146      2.854518
  C      -4.945404     -6.883063      2.238770
  C      -6.001797     -6.570930      3.279356
  N      -5.734236     -5.276114      3.934560
  Mo     -3.778974     -4.930507      4.246496
  N      -2.927485     -6.287134      5.481870
  C      -2.316236     -7.433305      4.801457
  C      -3.235712     -7.896345      3.688191
  H      -2.175265     -8.288038      5.477593
  H      -1.308954     -7.194572      4.400556
  H      -4.152496     -8.303057      4.137005
  H      -2.771817     -8.685013      3.066991
  H      -6.979893     -6.571128      2.773339
  H      -6.045563     -7.388681      4.024449
  H      -5.017530     -6.159298      1.416512
  H      -5.076292     -7.897436      1.817571
  H      -1.758940     -4.712155      0.907134
  H      -3.516184     -4.802047      0.774018
  H      -1.592788     -6.548804      2.386185
  H      -2.600889     -7.067652      1.003939
  C      -0.439691      1.381926      0.879153
  C      -0.849011      0.023418      1.455935
  C      -1.608500     -0.919456      0.497877
  C      -2.929646     -0.273400      0.036858
  C      -0.758133     -1.165754     -0.765145
  C      -1.833398     -2.349741      1.096074
  C      -2.406442     -2.630675      2.516879
  C      -1.327883     -2.369890      3.584431
  C      -3.643318     -1.755229      2.754376
  C      -6.326355     -2.883471      0.068018
  C      -6.639187     -3.773797      1.268970
  C      -7.823008     -3.331691      2.158931
  C      -7.634946     -1.884462      2.642382
  C      -9.127672     -3.376951      1.336896
  C      -8.040964     -4.331849      3.328699
  C      -6.996341     -4.662034      4.448386
  C      -7.691052     -5.669286      5.399017
  C      -6.694779     -3.422008      5.283982
  C      -0.638145     -3.161542     10.231942
  C      -1.363637     -3.912798      9.110486
  C      -0.474224     -4.742322      8.157615
  C       0.192554     -5.899039      8.913648
  C       0.637008     -3.843763      7.581412
  C      -1.269940     -5.226207      6.912989
  C      -2.556633     -6.105548      6.930046
  C      -3.758810     -5.462709      7.645677
  C      -2.316886     -7.459811      7.622264
  H      -1.309477      1.956558      0.526577
  H       0.062421      1.984843      1.649396
  H       0.258809      1.282499      0.036214
  H       0.052252     -0.499536      1.817787
  H      -1.478460      0.199857      2.341340
  H      -3.537838     -0.997516     -0.527063
  H      -3.534763      0.093061      0.874876
  H      -2.731176      0.580921     -0.627427
  H       0.239608     -1.549759     -0.501388
  H      -0.628447     -0.245123     -1.352156
  H      -1.245602     -1.908644     -1.415166
  H      -2.488342     -2.841349      0.360491
  H      -0.857922     -2.860988      1.038791
  H      -1.106593     -1.301969      3.707307
  H      -0.395171     -2.885471      3.309663
  H      -1.653822     -2.765425      4.553811
  H      -4.141772     -2.048814      3.682188
  H      -3.373004     -0.692379      2.827783
  H      -4.363433     -1.871646      1.934248
  H      -5.456771     -3.281888     -0.477275
  H      -7.165011     -2.821354     -0.643933
  H      -6.071607     -1.857721      0.375473
  H      -5.743386     -3.858441      1.901648
  H      -6.853105     -4.795307      0.905647
  H      -7.748432     -1.182414      1.803442
  H      -8.393880     -1.624802      3.394866
  H      -6.646174     -1.715756      3.086146
  H      -9.988105     -3.080282      1.956283
  H      -9.319481     -4.391341      0.952606
  H      -9.085387     -2.689608      0.479756
  H      -8.355639     -5.280647      2.864179
  H      -8.933938     -3.983301      3.875415
  H      -6.966973     -6.008181      6.155825
  H      -8.077932     -6.549530      4.867490
  H      -8.535831     -5.189702      5.914087
  H      -7.638029     -2.923012      5.547084
  H      -6.176190     -3.693409      6.211272
  H      -6.062323     -2.706577      4.754336
  H      -0.042909     -3.838191     10.864142
  H       0.038730     -2.388138      9.841437
  H      -1.365370     -2.660014     10.885824
  H      -1.939390     -3.193015      8.502189
  H      -2.105919     -4.583309      9.569427
  H       0.726787     -6.567160      8.220287
  H      -0.533499     -6.499848      9.470592
  H       0.928139     -5.516754      9.636382
  H       1.228757     -4.396792      6.837035
  H       1.325545     -3.500441      8.366275
  H       0.209255     -2.956810      7.084547
  H      -0.548075     -5.777241      6.285527
  H      -1.540280     -4.324758      6.345639
  H      -3.673780     -5.580188      8.733352
  H      -3.860785     -4.396644      7.431787
  H      -4.674948     -5.975634      7.318814
  H      -3.166509     -8.139123      7.444661
  H      -1.390087     -7.953365      7.297649
  H      -2.244817     -7.301482      8.706156
  N      -3.778250     -3.505069      5.319998
  N      -3.701420     -2.566918      6.143965
  H      -3.668378     -1.639453      5.688022
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624565462197
  N      -2.819109     -4.086239      2.668996
  C      -2.699145     -4.929516      1.476269
  C      -2.582385     -6.385576      1.871967
  N      -3.621963     -6.728901      2.858246
  C      -4.960351     -6.887545      2.257903
  C      -6.008031     -6.566812      3.305082
  N      -5.738925     -5.265014      3.942447
  Mo     -3.781744     -4.921766      4.250430
  N      -2.918453     -6.278664      5.476078
  C      -2.294336     -7.410476      4.785048
  C      -3.222258     -7.886961      3.684600
  H      -2.123073     -8.262867      5.456279
  H      -1.300036     -7.149158      4.367665
  H      -4.128385     -8.304376      4.144508
  H      -2.757306     -8.668299      3.055296
  H      -6.990069     -6.576648      2.806868
  H      -6.042477     -7.377591      4.058693
  H      -5.043071     -6.173042      1.428549
  H      -5.090855     -7.907643      1.851135
  H      -1.796702     -4.698943      0.891573
  H      -3.555496     -4.790623      0.782716
  H      -1.608586     -6.542824      2.357038
  H      -2.642880     -7.050394      0.989638
  C      -0.407667      1.366054      0.862717
  C      -0.826661      0.013019      1.442784
  C      -1.612397     -0.918329      0.494446
  C      -2.928859     -0.253606      0.048870
  C      -0.780907     -1.176196     -0.779558
  C      -1.851866     -2.345104      1.092490
  C      -2.411073     -2.624031      2.519641
  C      -1.317544     -2.376922      3.574065
  C      -3.636769     -1.738424      2.775073
  C      -6.324108     -2.938083      0.039981
  C      -6.634707     -3.796477      1.265841
  C      -7.820091     -3.337488      2.145271
  C      -7.628345     -1.883359      2.607240
  C      -9.122887     -3.393645      1.322707
  C      -8.041489     -4.320339      3.330186
  C      -6.995491     -4.637620      4.450916
  C      -7.691293     -5.627782      5.418963
  C      -6.683525     -3.386735      5.266743
  C      -0.659027     -3.216092     10.289892
  C      -1.382772     -3.944679      9.155061
  C      -0.487140     -4.730908      8.170130
  C       0.218058     -5.892010      8.888273
  C       0.601766     -3.797444      7.603516
  C      -1.290642     -5.194333      6.922155
  C      -2.552884     -6.108824      6.926788
  C      -3.771248     -5.509375      7.652904
  C      -2.280070     -7.468321      7.596927
  H      -1.273580      1.949406      0.517295
  H       0.105032      1.964182      1.629867
  H       0.283894      1.258829      0.015199
  H       0.072926     -0.522658      1.788465
  H      -1.438293      0.197783      2.338749
  H      -3.544086     -0.963417     -0.525187
  H      -3.528878      0.104931      0.894058
  H      -2.724362      0.607837     -0.603257
  H       0.212709     -1.578933     -0.528927
  H      -0.641169     -0.256184     -1.364348
  H      -1.289255     -1.907244     -1.427064
  H      -2.524948     -2.823874      0.365361
  H      -0.886209     -2.872632      1.019053
  H      -1.080551     -1.311513      3.686876
  H      -0.395660     -2.905166      3.287973
  H      -1.633182     -2.761639      4.550622
  H      -4.133742     -2.037605      3.701775
  H      -3.353243     -0.680245      2.859659
  H      -4.363278     -1.836535      1.958520
  H      -5.465796     -3.358008     -0.506777
  H      -7.168857     -2.885601     -0.663121
  H      -6.056156     -1.908064      0.318664
  H      -5.739118     -3.858423      1.900125
  H      -6.844555     -4.828467      0.932293
  H      -7.735054     -1.193476      1.757287
  H      -8.388864     -1.609147      3.353336
  H      -6.640729     -1.712012      3.051571
  H      -9.985414     -3.100380      1.940834
  H      -9.308754     -4.410641      0.942610
  H      -9.083849     -2.709500      0.463048
  H      -8.358653     -5.275651      2.879596
  H      -8.933813     -3.961909      3.871941
  H      -6.961192     -5.965906      6.170551
  H      -8.092295     -6.509417      4.899586
  H      -8.525866     -5.134901      5.938001
  H      -7.623163     -2.880503      5.529741
  H      -6.158206     -3.647440      6.193258
  H      -6.052106     -2.681981      4.720347
  H      -0.041973     -3.900196     10.891496
  H      -0.004576     -2.415844      9.916542
  H      -1.388357     -2.750989     10.968859
  H      -1.977285     -3.218985      8.575225
  H      -2.106075     -4.644153      9.600294
  H       0.743604     -6.536595      8.166789
  H      -0.482916     -6.518178      9.453596
  H       0.968247     -5.513688      9.598153
  H       1.211791     -4.326931      6.855949
  H       1.278981     -3.441343      8.392578
  H       0.152032     -2.920925      7.112665
  H      -0.564469     -5.697237      6.259224
  H      -1.599355     -4.279992      6.395812
  H      -3.680510     -5.637349      8.739151
  H      -3.903100     -4.443222      7.451813
  H      -4.673928     -6.043287      7.321085
  H      -3.105594     -8.169071      7.395267
  H      -1.335224     -7.928537      7.277493
  H      -2.226831     -7.329847      8.683629
  N      -3.772910     -3.502645      5.334329
  N      -3.681470     -2.578635      6.172063
  H      -3.636930     -1.646877      5.724316
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624617529777
  N      -2.825799     -4.083962      2.671948
  C      -2.711250     -4.926874      1.478359
  C      -2.592515     -6.382939      1.872535
  N      -3.627453     -6.727009      2.863315
  C      -4.967499     -6.890407      2.267609
  C      -6.012957     -6.565318      3.315859
  N      -5.743163     -5.260612      3.946025
  Mo     -3.785584     -4.918407      4.254287
  N      -2.919363     -6.274557      5.478229
  C      -2.291397     -7.402621      4.785056
  C      -3.221333     -7.883781      3.688455
  H      -2.111405     -8.253629      5.455630
  H      -1.300882     -7.135011      4.362945
  H      -4.124463     -8.304039      4.151529
  H      -2.755946     -8.663483      3.057481
  H      -6.996018     -6.578466      2.819687
  H      -6.045416     -7.372883      4.073267
  H      -5.053531     -6.180223      1.434793
  H      -5.097472     -7.912894      1.866706
  H      -1.811846     -4.696400      0.889430
  H      -3.570849     -4.788892      0.789011
  H      -1.616282     -6.541294      2.352350
  H      -2.658013     -7.046619      0.989736
  C      -0.398426      1.360284      0.861246
  C      -0.821006      0.008860      1.441953
  C      -1.614853     -0.918298      0.496116
  C      -2.929500     -0.247224      0.055262
  C      -0.789185     -1.179223     -0.781282
  C      -1.859168     -2.344116      1.093574
  C      -2.414360     -2.622503      2.522564
  C      -1.316068     -2.379919      3.572839
  C      -3.635898     -1.732705      2.783515
  C      -6.315939     -2.958901      0.028751
  C      -6.629233     -3.806026      1.261986
  C      -7.817570     -3.341032      2.134037
  C      -7.626830     -1.883543      2.586388
  C      -9.117501     -3.402967      1.307766
  C      -8.042819     -4.315915      3.325405
  C      -6.998512     -4.626809      4.449260
  C      -7.696021     -5.608349      5.424968
  C      -6.683911     -3.370393      5.255427
  C      -0.654371     -3.250605     10.316584
  C      -1.381847     -3.967183      9.177165
  C      -0.487109     -4.725734      8.169841
  C       0.243382     -5.887842      8.862183
  C       0.584137     -3.770845      7.603680
  C      -1.299738     -5.180258      6.924347
  C      -2.553600     -6.106367      6.928868
  C      -3.776712     -5.520698      7.658810
  C      -2.268037     -7.465922      7.593411
  H      -1.263047      1.947064      0.518672
  H       0.118437      1.956192      1.627423
  H       0.290485      1.250648      0.011774
  H       0.077769     -0.531160      1.782869
  H      -1.427405      0.196131      2.341037
  H      -3.547268     -0.952271     -0.521823
  H      -3.527741      0.109291      0.902589
  H      -2.722558      0.616222     -0.593152
  H       0.203221     -1.587568     -0.534976
  H      -0.646752     -0.259279     -1.365218
  H      -1.303838     -1.906561     -1.427994
  H      -2.537594     -2.818667      0.368840
  H      -0.896526     -2.876562      1.015195
  H      -1.071599     -1.315769      3.680669
  H      -0.398844     -2.914946      3.284574
  H      -1.630050     -2.758734      4.552074
  H      -4.133271     -2.033390      3.709266
  H      -3.347299     -0.676497      2.872332
  H      -4.364086     -1.823678      1.967842
  H      -5.460047     -3.386246     -0.515781
  H      -7.160592     -2.909348     -0.673829
  H      -6.044356     -1.927793      0.298466
  H      -5.735539     -3.860746      1.899081
  H      -6.836859     -4.841125      0.937802
  H      -7.729447     -1.199510      1.731077
  H      -8.390038     -1.603534      3.327626
  H      -6.640985     -1.709736      3.033396
  H      -9.982445     -3.110146      1.922631
  H      -9.299721     -4.421607      0.930367
  H      -9.077697     -2.721327      0.446091
  H      -8.360345     -5.274111      2.880803
  H      -8.935812     -3.952693      3.863071
  H      -6.964701     -5.944142      6.176776
  H      -8.100790     -6.491901      4.911540
  H      -8.527897     -5.109682      5.942883
  H      -7.622418     -2.859415      5.513715
  H      -6.159983     -3.625510      6.184298
  H      -6.050103     -2.672023      4.703487
  H      -0.022176     -3.938093     10.898294
  H      -0.014204     -2.435702      9.950277
  H      -1.381624     -2.806749     11.012162
  H      -1.991378     -3.238778      8.616678
  H      -2.091438     -4.683554      9.617876
  H       0.767272     -6.514470      8.123891
  H      -0.441531     -6.532493      9.428080
  H       0.998788     -5.510051      9.566986
  H       1.199011     -4.287379      6.850798
  H       1.259600     -3.407889      8.391471
  H       0.120185     -2.901292      7.117560
  H      -0.575558     -5.665980      6.245964
  H      -1.623900     -4.261447      6.414704
  H      -3.683527     -5.651925      8.744571
  H      -3.918262     -4.454636      7.461933
  H      -4.675347     -6.061041      7.325833
  H      -3.085907     -8.173961      7.387161
  H      -1.318070     -7.915343      7.274478
  H      -2.218373     -7.331726      8.680603
  N      -3.774379     -3.501057      5.341013
  N      -3.677971     -2.581229      6.182658
  H      -3.632778     -1.648085      5.737560
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624625154450
  N      -2.825528     -4.083981      2.672378
  C      -2.710579     -4.927106      1.479024
  C      -2.591235     -6.382965      1.873729
  N      -3.626851     -6.727265      2.863589
  C      -4.966502     -6.890725      2.267084
  C      -6.012654     -6.565155      3.314485
  N      -5.743185     -5.260392      3.944584
  Mo     -3.786143     -4.918223      4.254313
  N      -2.920735     -6.274257      5.479074
  C      -2.292555     -7.402635      4.786596
  C      -3.221473     -7.883753      3.689229
  H      -2.113481     -8.253474      5.457560
  H      -1.301534     -7.135413      4.365458
  H      -4.125059     -8.303876      4.151497
  H      -2.755635     -8.663616      3.058820
  H      -6.995461     -6.578248      2.817773
  H      -6.045719     -7.372494      4.072116
  H      -5.051975     -6.181008      1.433811
  H      -5.096365     -7.913327      1.866465
  H      -1.811271     -4.696340      0.890006
  H      -3.570130     -4.789770      0.789530
  H      -1.615295     -6.540345      2.354600
  H      -2.655291     -7.047030      0.991134
  C      -0.395036      1.358984      0.861035
  C      -0.819493      0.008435      1.442315
  C      -1.613702     -0.918555      0.496436
  C      -2.927892     -0.246650      0.055400
  C      -0.788139     -1.180019     -0.781025
  C      -1.858748     -2.344241      1.093949
  C      -2.414971     -2.622404      2.522608
  C      -1.317645     -2.379125      3.573652
  C      -3.637150     -1.733091      2.782094
  C      -6.317191     -2.956622      0.029454
  C      -6.629975     -3.804667      1.262422
  C      -7.819098     -3.341413      2.134420
  C      -7.630463     -1.883805      2.587267
  C      -9.118857     -3.405051      1.308020
  C      -8.043440     -4.316528      3.325509
  C      -6.998362     -4.626937      4.448384
  C      -7.695201     -5.608644      5.424150
  C      -6.683470     -3.370271      5.254204
  C      -0.654135     -3.254115     10.317966
  C      -1.381113     -3.970341      9.177923
  C      -0.485975     -4.725541      8.168624
  C       0.247961     -5.887136      8.858256
  C       0.582485     -3.767824      7.602064
  C      -1.299659     -5.180375      6.923893
  C      -2.554540     -6.105226      6.929458
  C      -3.777427     -5.518652      7.658951
  C      -2.269801     -7.464334      7.595420
  H      -1.258754      1.946985      0.518516
  H       0.123124      1.954346      1.626800
  H       0.293342      1.247961      0.011347
  H       0.078465     -0.532110      1.784439
  H      -1.426506      0.196936      2.340785
  H      -3.546691     -0.951574     -0.520607
  H      -3.525377      0.111527      0.902585
  H      -2.720271      0.615825     -0.594004
  H       0.204236     -1.588466     -0.534864
  H      -0.645708     -0.260342     -1.365221
  H      -1.303023     -1.907456     -1.427446
  H      -2.536614     -2.818751      0.368738
  H      -0.896129     -2.876817      1.016291
  H      -1.073112     -1.315050      3.681177
  H      -0.400325     -2.914510      3.286599
  H      -1.632917     -2.757547      4.552474
  H      -4.134744     -2.032950      3.707947
  H      -3.349149     -0.676644      2.869804
  H      -4.364915     -1.825271      1.966254
  H      -5.460525     -3.382722     -0.514952
  H      -7.161579     -2.907781     -0.673448
  H      -6.046942     -1.925184      0.299644
  H      -5.736320     -3.858852      1.899716
  H      -6.836445     -4.840019      0.937677
  H      -7.733328     -1.199686      1.732208
  H      -8.394647     -1.605091      3.328018
  H      -6.645143     -1.708744      3.035028
  H      -9.984264     -3.112870      1.922614
  H      -9.299942     -4.423997      0.931036
  H      -9.079513     -2.723780      0.446140
  H      -8.361064     -5.274814      2.881138
  H      -8.936129     -3.953548      3.863778
  H      -6.964279     -5.943410      6.176507
  H      -8.099028     -6.492770      4.910975
  H      -8.527776     -5.110525      5.941403
  H      -7.621938     -2.859519      5.513022
  H      -6.158725     -3.624987      6.182782
  H      -6.050142     -2.671755      4.701572
  H      -0.021349     -3.941650     10.898986
  H      -0.014599     -2.438476      9.952179
  H      -1.381669     -2.811498     11.013970
  H      -1.992081     -3.241874      8.619053
  H      -2.089553     -4.688148      9.618128
  H       0.775206     -6.509527      8.118796
  H      -0.435798     -6.536025      9.420849
  H       1.000925     -5.508802      9.565379
  H       1.197452     -4.283550      6.848526
  H       1.257997     -3.404021      8.389113
  H       0.116805     -2.899200      7.115675
  H      -0.576231     -5.668090      6.246067
  H      -1.622705     -4.261778      6.413109
  H      -3.684291     -5.650062      8.744655
  H      -3.918637     -4.452524      7.462205
  H      -4.676312     -6.058459      7.326128
  H      -3.088420     -8.171684      7.390602
  H      -1.320531     -7.915071      7.276685
  H      -2.219306     -7.328726      8.682226
  N      -3.775465     -3.500593      5.340955
  N      -3.679057     -2.580634      6.182478
  H      -3.634333     -1.647662      5.737003
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624633215741
  N      -2.825625     -4.083824      2.674863
  C      -2.710982     -4.927426      1.481838
  C      -2.590186     -6.382962      1.877593
  N      -3.626900     -6.727697      2.866101
  C      -4.966041     -6.891327      2.268336
  C      -6.013181     -6.564091      3.314172
  N      -5.743585     -5.259174      3.943743
  Mo     -3.786981     -4.918095      4.256345
  N      -2.924062     -6.274545      5.482699
  C      -2.295788     -7.403591      4.791293
  C      -3.223064     -7.884104      3.692421
  H      -2.118724     -8.254389      5.462817
  H      -1.303709     -7.137282      4.372014
  H      -4.127634     -8.303968      4.153019
  H      -2.756572     -8.664270      3.062835
  H      -6.995466     -6.576729      2.816283
  H      -6.047869     -7.370913      4.072291
  H      -5.050651     -6.182814      1.433938
  H      -5.095914     -7.914346      1.868737
  H      -1.812490     -4.696206      0.891720
  H      -3.571218     -4.791610      0.792798
  H      -1.614664     -6.538650      2.360109
  H      -2.651874     -7.047696      0.995295
  C      -0.393847      1.358231      0.863485
  C      -0.819937      0.008216      1.445041
  C      -1.613976     -0.918523      0.498715
  C      -2.927859     -0.245750      0.057581
  C      -0.788459     -1.179999     -0.778800
  C      -1.859335     -2.344244      1.096066
  C      -2.416811     -2.622020      2.524367
  C      -1.320980     -2.377899      3.576682
  C      -3.639753     -1.733140      2.781925
  C      -6.315318     -2.954217      0.028658
  C      -6.628822     -3.803532      1.260446
  C      -7.820467     -3.342832      2.130028
  C      -7.637461     -1.883829      2.580608
  C      -9.118616     -3.411895      1.301574
  C      -8.043911     -4.316273      3.322549
  C      -6.998817     -4.624322      4.445938
  C      -7.695700     -5.603855      5.423595
  C      -6.683733     -3.366297      5.249303
  C      -0.647935     -3.261090     10.319462
  C      -1.375526     -3.977170      9.179547
  C      -0.481439     -4.726864      8.165613
  C       0.258108     -5.888513      8.848904
  C       0.582418     -3.765346      7.597390
  C      -1.299020     -5.181295      6.923211
  C      -2.555744     -6.103753      6.932253
  C      -3.777463     -5.515686      7.662607
  C      -2.271182     -7.461940      7.600479
  H      -1.256876      1.947941      0.521881
  H       0.126382      1.952358      1.628697
  H       0.293372      1.246214      0.013016
  H       0.077318     -0.532654      1.788851
  H      -1.428169      0.197653      2.342625
  H      -3.548215     -0.950718     -0.516565
  H      -3.524190      0.114802      0.904607
  H      -2.719585      0.615410     -0.593420
  H       0.204286     -1.587641     -0.532991
  H      -0.647097     -0.260506     -1.363443
  H      -1.303070     -1.908124     -1.424639
  H      -2.536493     -2.818993      0.370162
  H      -0.896488     -2.876659      1.019353
  H      -1.075575     -1.313953      3.683478
  H      -0.403759     -2.914684      3.291786
  H      -1.639406     -2.755204      4.554836
  H      -4.137830     -2.031491      3.708188
  H      -3.352136     -0.676484      2.868128
  H      -4.367218     -1.826742      1.965775
  H      -5.457296     -3.378484     -0.514712
  H      -7.158572     -2.905963     -0.675443
  H      -6.047205     -1.922831      0.300018
  H      -5.736300     -3.856872      1.899181
  H      -6.832928     -4.838760      0.934656
  H      -7.740789     -1.201559      1.724151
  H      -8.404117     -1.606460      3.319172
  H      -6.653789     -1.704552      3.030217
  H      -9.985770     -3.120490      1.913935
  H      -9.296214     -4.432226      0.926987
  H      -9.079660     -2.732770      0.437993
  H      -8.361162     -5.275449      2.880008
  H      -8.936731     -3.952799      3.860187
  H      -6.965842     -5.935745      6.178201
  H      -8.097970     -6.489817      4.912472
  H      -8.529593     -5.105228      5.938199
  H      -7.621965     -2.853974      5.505604
  H      -6.160555     -3.619547      6.179054
  H      -6.048887     -2.669821      4.695980
  H      -0.014162     -3.948564     10.899409
  H      -0.009363     -2.444878      9.953301
  H      -1.375102     -2.819523     11.016470
  H      -1.989416     -3.248711      8.624092
  H      -2.081535     -4.697162      9.620110
  H       0.790731     -6.502434      8.106276
  H      -0.423971     -6.545339      9.404462
  H       1.006905     -5.510760      9.560741
  H       1.196200     -4.280575      6.842147
  H       1.259052     -3.400766      8.382482
  H       0.114441     -2.897978      7.110654
  H      -0.578209     -5.672297      6.244728
  H      -1.620902     -4.262603      6.411646
  H      -3.683395     -5.647907      8.748242
  H      -3.917977     -4.449282      7.466723
  H      -4.677527     -6.054090      7.330591
  H      -3.091547     -8.168350      7.399617
  H      -1.323382     -7.914850      7.280584
  H      -2.217402     -7.323571      8.686779
  N      -3.777102     -3.500147      5.342259
  N      -3.681309     -2.578980      6.182753
  H      -3.640601     -1.646434      5.736206
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624635996136
  N      -2.826565     -4.083473      2.675827
  C      -2.711969     -4.927014      1.482794
  C      -2.590514     -6.382521      1.878580
  N      -3.627397     -6.727662      2.866696
  C      -4.966341     -6.891854      2.268890
  C      -6.013662     -6.564330      3.314486
  N      -5.744426     -5.259036      3.943324
  Mo     -3.788144     -4.917930      4.257075
  N      -2.925151     -6.274336      5.483536
  C      -2.296821     -7.403511      4.792430
  C      -3.223562     -7.883921      3.693127
  H      -2.120601     -8.254438      5.464093
  H      -1.304377     -7.137496      4.373804
  H      -4.128171     -8.304122      4.153381
  H      -2.756696     -8.663992      3.063692
  H      -6.995797     -6.577538      2.816551
  H      -6.048345     -7.370657      4.073100
  H      -5.051157     -6.183890      1.434062
  H      -5.095887     -7.915091      1.869808
  H      -1.813920     -4.695306      0.892186
  H      -3.572684     -4.791748      0.794146
  H      -1.615141     -6.537602      2.361550
  H      -2.651372     -7.047377      0.996326
  C      -0.392270      1.358202      0.865485
  C      -0.819396      0.008483      1.446946
  C      -1.613838     -0.917755      0.500381
  C      -2.927260     -0.244106      0.059154
  C      -0.788322     -1.179506     -0.777070
  C      -1.860002     -2.343518      1.097376
  C      -2.417561     -2.621666      2.525581
  C      -1.321828     -2.378401      3.578119
  C      -3.640461     -1.732749      2.783511
  C      -6.314570     -2.955783      0.027513
  C      -6.628202     -3.804328      1.260039
  C      -7.821070     -3.344077      2.128262
  C      -7.639751     -1.884772      2.578415
  C      -9.118391     -3.414653      1.298744
  C      -8.044884     -4.316863      3.321201
  C      -6.999776     -4.623744      4.444818
  C      -7.696496     -5.602490      5.423279
  C      -6.684885     -3.364703      5.246704
  C      -0.643602     -3.261189     10.318012
  C      -1.372498     -3.978221      9.179531
  C      -0.479738     -4.727462      8.164180
  C       0.260903     -5.889118      8.846073
  C       0.583292     -3.765952      7.594659
  C      -1.298960     -5.181709      6.922753
  C      -2.556401     -6.103121      6.932944
  C      -3.777339     -5.513485      7.663238
  C      -2.272619     -7.461190      7.601677
  H      -1.254872      1.948709      0.524290
  H       0.128825      1.951705      1.630641
  H       0.294518      1.245744      0.014720
  H       0.077398     -0.532901      1.791040
  H      -1.427868      0.198304      2.344313
  H      -3.548447     -0.948773     -0.514443
  H      -3.523109      0.117445      0.906078
  H      -2.718292      0.616575     -0.592248
  H       0.204224     -1.587542     -0.531216
  H      -0.646540     -0.260047     -1.361645
  H      -1.303208     -1.907389     -1.422997
  H      -2.537412     -2.817656      0.371340
  H      -0.897444     -2.876422      1.020402
  H      -1.074974     -1.314822      3.684680
  H      -0.405346     -2.916697      3.293812
  H      -1.641610     -2.754980      4.556056
  H      -4.138879     -2.031579      3.709288
  H      -3.352781     -0.676330      2.870522
  H      -4.367712     -1.825337      1.967272
  H      -5.455241     -3.379377     -0.514469
  H      -7.157084     -2.909869     -0.677757
  H      -6.048601     -1.923419      0.298020
  H      -5.736085     -3.856307      1.899571
  H      -6.831083     -4.840159      0.934840
  H      -7.742862     -1.202872      1.721680
  H      -8.407442     -1.607890      3.316185
  H      -6.656703     -1.704419      3.028924
  H      -9.986296     -3.122966      1.909989
  H      -9.295159     -4.435466      0.925149
  H      -9.078874     -2.736490      0.434468
  H      -8.361896     -5.276376      2.879320
  H      -8.937905     -3.953126      3.858398
  H      -6.967017     -5.932853      6.178826
  H      -8.097720     -6.489409      4.912988
  H      -8.531189     -5.103955      5.936668
  H      -7.623182     -2.852269      5.502529
  H      -6.161479     -3.616777      6.176645
  H      -6.050229     -2.668743      4.692309
  H      -0.009378     -3.948064     10.898137
  H      -0.005303     -2.445445      9.950383
  H      -1.370076     -2.818825     11.015261
  H      -1.987825     -3.250376      8.624907
  H      -2.077278     -4.698579      9.621509
  H       0.794512     -6.501075      8.102571
  H      -0.420682     -6.547575      9.400123
  H       1.008852     -5.511676      9.559001
  H       1.196213     -4.281296      6.838815
  H       1.260878     -3.401219      8.378884
  H       0.114796     -2.898838      7.108107
  H      -0.579309     -5.673334      6.243580
  H      -1.620591     -4.262865      6.411441
  H      -3.683824     -5.645747      8.748888
  H      -3.916519     -4.447011      7.467420
  H      -4.677842     -6.050848      7.330988
  H      -3.093861     -8.166920      7.402201
  H      -1.325566     -7.915307      7.281245
  H      -2.217735     -7.321982      8.687792
  N      -3.778938     -3.500309      5.343478
  N      -3.682821     -2.579864      6.184631
  H      -3.643938     -1.646949      5.738412
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624640033278
  N      -2.827107     -4.083302      2.677048
  C      -2.713413     -4.926577      1.483731
  C      -2.591413     -6.382143      1.879245
  N      -3.628349     -6.727741      2.867088
  C      -4.967395     -6.891661      2.269443
  C      -6.014450     -6.563691      3.315196
  N      -5.744739     -5.258308      3.943664
  Mo     -3.788410     -4.918471      4.258326
  N      -2.925661     -6.275912      5.484170
  C      -2.297886     -7.405160      4.792633
  C      -3.224691     -7.884481      3.692888
  H      -2.122957     -8.256720      5.463812
  H      -1.305012     -7.139768      4.374637
  H      -4.129339     -8.304953      4.152860
  H      -2.757941     -8.664305      3.063038
  H      -6.996578     -6.576911      2.817290
  H      -6.049272     -7.369769      4.074008
  H      -5.052287     -6.183946      1.434444
  H      -5.097224     -7.914966      1.870655
  H      -1.816033     -4.694530      0.892229
  H      -3.574956     -4.791546      0.795937
  H      -1.616152     -6.536878      2.362519
  H      -2.651686     -7.046900      0.996848
  C      -0.393036      1.358418      0.867459
  C      -0.820307      0.008611      1.448651
  C      -1.614825     -0.917390      0.501915
  C      -2.928425     -0.243583      0.061217
  C      -0.789516     -1.178913     -0.775726
  C      -1.860938     -2.343249      1.098678
  C      -2.418173     -2.621468      2.526838
  C      -1.322596     -2.379032      3.579626
  C      -3.640768     -1.732454      2.785252
  C      -6.311533     -2.957740      0.026757
  C      -6.626030     -3.805072      1.259941
  C      -7.820085     -3.344442      2.126347
  C      -7.640111     -1.884656      2.575358
  C      -9.116479     -3.416595      1.295625
  C      -8.044776     -4.315862      3.320218
  C      -6.999874     -4.621754      4.444322
  C      -7.697015     -5.599105      5.423785
  C      -6.684555     -3.361760      5.244638
  C      -0.641968     -3.258994     10.314958
  C      -1.371138     -3.978325      9.178283
  C      -0.478792     -4.727998      8.162874
  C       0.262497     -5.889028      8.845060
  C       0.583822     -3.766871      7.592163
  C      -1.298752     -5.182923      6.922249
  C      -2.555828     -6.104757      6.933409
  C      -3.776049     -5.515001      7.664653
  C      -2.271306     -7.462803      7.601872
  H      -1.255587      1.949361      0.527042
  H       0.128801      1.951385      1.632522
  H       0.293137      1.246058      0.016251
  H       0.076386     -0.532864      1.792763
  H      -1.429014      0.198281      2.345892
  H      -3.550428     -0.948309     -0.511434
  H      -3.523589      0.118618      0.908400
  H      -2.719584      0.616809     -0.590720
  H       0.203180     -1.586747     -0.530041
  H      -0.647995     -0.259387     -1.360341
  H      -1.304416     -1.906886     -1.421594
  H      -2.538636     -2.817255      0.372801
  H      -0.898493     -2.876227      1.021418
  H      -1.073899     -1.315854      3.685858
  H      -0.407055     -2.919380      3.296291
  H      -1.644670     -2.754612      4.557158
  H      -4.139086     -2.031236      3.711218
  H      -3.352780     -0.676043      2.872327
  H      -4.368370     -1.824601      1.969173
  H      -5.450721     -3.380932     -0.513266
  H      -7.153000     -2.914317     -0.680054
  H      -6.047727     -1.924446      0.296228
  H      -5.734523     -3.855948      1.900428
  H      -6.828162     -4.841369      0.935504
  H      -7.743081     -1.203505      1.718068
  H      -8.408675     -1.607858      3.312262
  H      -6.657615     -1.703016      3.026583
  H      -9.985117     -3.123861      1.905323
  H      -9.292788     -4.438103      0.923787
  H      -9.075969     -2.740093      0.430167
  H      -8.362038     -5.275750      2.879454
  H      -8.937810     -3.951181      3.856742
  H      -6.968247     -5.927685      6.180737
  H      -8.097202     -6.487191      4.914679
  H      -8.532662     -5.100297      5.935366
  H      -7.622652     -2.848427      5.499374
  H      -6.161617     -3.612924      6.175052
  H      -6.049233     -2.666918      4.689433
  H      -0.007738     -3.944411     10.896778
  H      -0.003723     -2.444095      9.945477
  H      -1.368491     -2.814957     11.011117
  H      -1.987908     -3.251942      8.623411
  H      -2.074568     -4.699055      9.621864
  H       0.798389     -6.499144      8.101670
  H      -0.418914     -6.549175      9.397180
  H       1.008474     -5.511210      9.559909
  H       1.196455     -4.282175      6.836153
  H       1.262088     -3.401683      8.375714
  H       0.114725     -2.900047      7.105800
  H      -0.579640     -5.673815      6.242126
  H      -1.621442     -4.264122      6.411596
  H      -3.682252     -5.647693      8.750319
  H      -3.914982     -4.448312      7.469225
  H      -4.676830     -6.052131      7.332438
  H      -3.092484     -8.168717      7.403253
  H      -1.324419     -7.916742      7.280858
  H      -2.215699     -7.323442      8.687846
  N      -3.779388     -3.501377      5.345327
  N      -3.682835     -2.581269      6.186811
  H      -3.648813     -1.647953      5.741096
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624644043637
  N      -2.828731     -4.083184      2.678006
  C      -2.715385     -4.926554      1.484736
  C      -2.592148     -6.381947      1.880293
  N      -3.629124     -6.728260      2.867770
  C      -4.968252     -6.891880      2.270271
  C      -6.015118     -6.563390      3.316161
  N      -5.745214     -5.257719      3.944020
  Mo     -3.788927     -4.919332      4.259739
  N      -2.925754     -6.277668      5.484729
  C      -2.298432     -7.406864      4.792869
  C      -3.225394     -7.885347      3.692875
  H      -2.124732     -8.259007      5.463640
  H      -1.305194     -7.142093      4.375458
  H      -4.129929     -8.306209      4.152720
  H      -2.758634     -8.664823      3.062563
  H      -6.997246     -6.576869      2.818232
  H      -6.049842     -7.369156      4.075293
  H      -5.053031     -6.184452      1.435059
  H      -5.098418     -7.915322      1.871948
  H      -1.818816     -4.693802      0.892314
  H      -3.577774     -4.792376      0.797823
  H      -1.617005     -6.535789      2.364011
  H      -2.651463     -7.046782      0.997872
  C      -0.393409      1.358322      0.870422
  C      -0.820676      0.008170      1.450826
  C      -1.616086     -0.916713      0.503820
  C      -2.929255     -0.241713      0.063949
  C      -0.791313     -1.178274     -0.774114
  C      -1.862949     -2.342685      1.099915
  C      -2.419682     -2.621334      2.528074
  C      -1.324031     -2.380330      3.581106
  C      -3.642046     -1.732461      2.787691
  C      -6.308221     -2.958451      0.026030
  C      -6.623889     -3.805244      1.259120
  C      -7.819342     -3.344703      2.123584
  C      -7.641245     -1.884267      2.571409
  C      -9.114589     -3.418779      1.291315
  C      -8.044765     -4.314844      3.318518
  C      -7.000328     -4.619930      4.443509
  C      -7.698067     -5.595938      5.423926
  C      -6.684895     -3.359144      5.242582
  C      -0.638546     -3.253939     10.310139
  C      -1.368758     -3.975343      9.175734
  C      -0.477568     -4.728411      8.161603
  C       0.261938     -5.889105      8.846152
  C       0.586538     -3.770011      7.589126
  C      -1.298049     -5.184192      6.921744
  C      -2.554627     -6.106766      6.933768
  C      -3.774090     -5.517445      7.666565
  C      -2.269022     -7.465085      7.601124
  H      -1.256154      1.950117      0.531857
  H       0.129904      1.950163      1.635401
  H       0.291524      1.246457      0.018076
  H       0.076104     -0.533861      1.793927
  H      -1.428927      0.197199      2.348578
  H      -3.552396     -0.945861     -0.508065
  H      -3.523493      0.121179      0.911462
  H      -2.720007      0.618415     -0.588066
  H       0.201012     -1.587144     -0.528736
  H      -0.648972     -0.258608     -1.358245
  H      -1.306926     -1.905406     -1.420318
  H      -2.541334     -2.815856      0.374161
  H      -0.900928     -2.876313      1.021992
  H      -1.072585     -1.317703      3.686598
  H      -0.409876     -2.923634      3.299097
  H      -1.649148     -2.754087      4.558374
  H      -4.140186     -2.032453      3.713275
  H      -3.353951     -0.676205      2.876181
  H      -4.369729     -1.823116      1.971599
  H      -5.445337     -3.380378     -0.511635
  H      -7.148139     -2.917592     -0.682638
  H      -6.047238     -1.924487      0.295067
  H      -5.733250     -3.855089      1.900702
  H      -6.824962     -4.841731      0.934988
  H      -7.744306     -1.203857      1.713425
  H      -8.410833     -1.607775      3.307441
  H      -6.659388     -1.700942      3.023368
  H      -9.984204     -3.124893      1.899067
  H      -9.290242     -4.441174      0.921557
  H      -9.072861     -2.744242      0.424375
  H      -8.362064     -5.275213      2.878869
  H      -8.937975     -3.949303      3.854167
  H      -6.970030     -5.922527      6.182446
  H      -8.096941     -6.485316      4.916052
  H      -8.534886     -5.096936      5.933460
  H      -7.622934     -2.844979      5.495877
  H      -6.162879     -3.609535      6.173682
  H      -6.048705     -2.665288      4.687041
  H      -0.005574     -3.938323     10.894429
  H       0.001032     -2.441167      9.938379
  H      -1.364651     -2.806419     11.004585
  H      -1.985485     -3.250034      8.619592
  H      -2.072114     -4.694937      9.621257
  H       0.799011     -6.499611      8.103912
  H      -0.420283     -6.548798      9.397703
  H       1.006679     -5.511113      9.562214
  H       1.198250     -4.286332      6.833216
  H       1.266000     -3.404997      8.371923
  H       0.118104     -2.902813      7.103035
  H      -0.579247     -5.673908      6.240547
  H      -1.621994     -4.265437      6.411816
  H      -3.679924     -5.651529      8.752005
  H      -3.912745     -4.450446      7.472432
  H      -4.675270     -6.053868      7.334066
  H      -3.090508     -8.171015      7.403526
  H      -1.322508     -7.918797      7.278517
  H      -2.211848     -7.326200      8.687158
  N      -3.780508     -3.503045      5.347747
  N      -3.683475     -2.583830      6.190341
  H      -3.658608     -1.649533      5.746052
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624647056578
  N      -2.829175     -4.083689      2.678461
  C      -2.715541     -4.927112      1.485194
  C      -2.592419     -6.382514      1.880779
  N      -3.629666     -6.728999      2.867956
  C      -4.968868     -6.891938      2.270294
  C      -6.015645     -6.563110      3.316231
  N      -5.745289     -5.257482      3.944055
  Mo     -3.788773     -4.920559      4.260398
  N      -2.925595     -6.279657      5.484786
  C      -2.299093     -7.409113      4.792657
  C      -3.226411     -7.886609      3.692515
  H      -2.126253     -8.261699      5.463062
  H      -1.305574     -7.145126      4.375429
  H      -4.131121     -8.307210      4.152244
  H      -2.759991     -8.666049      3.061888
  H      -6.997784     -6.576397      2.818227
  H      -6.050415     -7.368904      4.075329
  H      -5.053310     -6.184408      1.435149
  H      -5.099486     -7.915330      1.871981
  H      -1.818768     -4.694384      0.893049
  H      -3.577696     -4.792929      0.797984
  H      -1.617424     -6.536342      2.364858
  H      -2.651393     -7.047286      0.998254
  C      -0.394861      1.358341      0.872269
  C      -0.821177      0.007568      1.451987
  C      -1.616679     -0.917024      0.504867
  C      -2.930313     -0.242216      0.065911
  C      -0.792254     -1.177895     -0.773443
  C      -1.863073     -2.343204      1.100732
  C      -2.419774     -2.621910      2.528748
  C      -1.324305     -2.382006      3.582128
  C      -3.641604     -1.732634      2.788945
  C      -6.307006     -2.958169      0.025396
  C      -6.622601     -3.804311      1.259008
  C      -7.818373     -3.343653      2.122878
  C      -7.640451     -1.883178      2.570606
  C      -9.113238     -3.417847      1.290119
  C      -8.044223     -4.313523      3.317922
  C      -7.000164     -4.618960      4.443140
  C      -7.698512     -5.594397      5.423648
  C      -6.684366     -3.358247      5.242162
  C      -0.638839     -3.250107     10.306742
  C      -1.368984     -3.972881      9.173264
  C      -0.477643     -4.727760      8.160441
  C       0.261512     -5.887428      8.847163
  C       0.586643     -3.770114      7.586877
  C      -1.297769     -5.185038      6.920994
  C      -2.553423     -6.108835      6.933668
  C      -3.772690     -5.520266      7.667563
  C      -2.266485     -7.467047      7.600497
  H      -1.258032      1.949880      0.534439
  H       0.128356      1.949992      1.637324
  H       0.289749      1.247330      0.019711
  H       0.076007     -0.534347      1.794231
  H      -1.428978      0.195709      2.350132
  H      -3.553483     -0.946374     -0.506043
  H      -3.524248      0.119955      0.913995
  H      -2.721843      0.618403     -0.585857
  H       0.200186     -1.586911     -0.528450
  H      -0.650054     -0.257899     -1.357259
  H      -1.308011     -1.904717     -1.419846
  H      -2.541391     -2.816569      0.375002
  H      -0.900902     -2.876564      1.022838
  H      -1.070461     -1.319844      3.686579
  H      -0.411290     -2.927981      3.301673
  H      -1.652040     -2.753678      4.559283
  H      -4.139379     -2.033077      3.714704
  H      -3.353005     -0.676432      2.877954
  H      -4.369613     -1.822699      1.972913
  H      -5.443062     -3.379331     -0.511075
  H      -7.146338     -2.919240     -0.684058
  H      -6.047638     -1.923596      0.293622
  H      -5.732121     -3.853321      1.900892
  H      -6.823201     -4.841088      0.935551
  H      -7.743516     -1.202773      1.712608
  H      -8.410159     -1.606802      3.306503
  H      -6.658690     -1.699662      3.022649
  H      -9.983108     -3.123454      1.897156
  H      -9.288989     -4.440368      0.920919
  H      -9.070783     -2.743880      0.422824
  H      -8.361769     -5.273841      2.878399
  H      -8.937343     -3.947608      3.853375
  H      -6.970910     -5.920495      6.182793
  H      -8.097018     -6.484080      4.916076
  H      -8.535709     -5.095207      5.932357
  H      -7.622319     -2.843785      5.495075
  H      -6.162760     -3.608706      6.173454
  H      -6.047844     -2.664609      4.686760
  H      -0.005945     -3.933737     10.892022
  H       0.000840     -2.437807      9.934060
  H      -1.364987     -2.801513     11.000433
  H      -1.985786     -3.248417      8.616107
  H      -2.072199     -4.692162      9.619533
  H       0.798500     -6.499362      8.106009
  H      -0.420426     -6.546114      9.400276
  H       1.006420     -5.508134      9.562389
  H       1.198413     -4.286725      6.831288
  H       1.266230     -3.404312      8.369307
  H       0.117822     -2.903120      7.100748
  H      -0.578587     -5.673890      6.239630
  H      -1.622937     -4.266785      6.410978
  H      -3.677603     -5.654513      8.752990
  H      -3.911823     -4.453226      7.473589
  H      -4.673997     -6.057015      7.335612
  H      -3.087313     -8.173701      7.402807
  H      -1.319587     -7.919746      7.277571
  H      -2.209322     -7.328568      8.686548
  N      -3.780637     -3.504646      5.348794
  N      -3.683199     -2.585833      6.191730
  H      -3.666264     -1.650974      5.748311
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624650907394
  N      -2.830572     -4.084066      2.678776
  C      -2.715350     -4.927822      1.485877
  C      -2.592308     -6.383107      1.881704
  N      -3.629993     -6.729769      2.868353
  C      -4.969136     -6.891763      2.270215
  C      -6.016069     -6.562667      3.315951
  N      -5.745440     -5.257177      3.943997
  Mo     -3.788845     -4.921835      4.261131
  N      -2.925142     -6.281443      5.484837
  C      -2.299672     -7.411290      4.792611
  C      -3.227366     -7.887858      3.692388
  H      -2.127616     -8.264173      5.462825
  H      -1.305864     -7.148245      4.375490
  H      -4.132294     -8.307956      4.152107
  H      -2.761403     -8.667337      3.061482
  H      -6.998140     -6.575599      2.817722
  H      -6.051040     -7.368616      4.074888
  H      -5.052838     -6.183976      1.435230
  H      -5.100284     -7.915005      1.871708
  H      -1.817854     -4.695057      0.894829
  H      -3.576532     -4.793835      0.797521
  H      -1.617551     -6.536731      2.366370
  H      -2.650676     -7.047936      0.999168
  C      -0.395944      1.358004      0.873363
  C      -0.821236      0.006736      1.452617
  C      -1.617571     -0.917378      0.505704
  C      -2.931263     -0.242327      0.067666
  C      -0.793817     -1.178126     -0.773053
  C      -1.863875     -2.343577      1.101432
  C      -2.420756     -2.622370      2.529337
  C      -1.325583     -2.383628      3.583232
  C      -3.642239     -1.732899      2.790372
  C      -6.305000     -2.957177      0.025287
  C      -6.621310     -3.803205      1.258682
  C      -7.817480     -3.342564      2.122004
  C      -7.639727     -1.881963      2.569811
  C      -9.112007     -3.416759      1.288618
  C      -8.043681     -4.312409      3.317003
  C      -7.000107     -4.618058      4.442594
  C      -7.699155     -5.592966      5.423123
  C      -6.684084     -3.357333      5.241742
  C      -0.638592     -3.246992     10.304085
  C      -1.368915     -3.969874      9.170791
  C      -0.477497     -4.726830      8.159350
  C       0.260741     -5.885679      8.848301
  C       0.587186     -3.770089      7.584833
  C      -1.297153     -5.185561      6.920207
  C      -2.551840     -6.110630      6.933524
  C      -3.771286     -5.523563      7.668609
  C      -2.263025     -7.468676      7.599658
  H      -1.259753      1.949413      0.536919
  H       0.127862      1.949441      1.638238
  H       0.287774      1.247711      0.019926
  H       0.076476     -0.535291      1.793277
  H      -1.427829      0.194074      2.351716
  H      -3.554585     -0.946261     -0.504432
  H      -3.524720      0.119302      0.916289
  H      -2.723216      0.618593     -0.583743
  H       0.198266     -1.588208     -0.528515
  H      -0.650867     -0.257922     -1.356297
  H      -1.310348     -1.904073     -1.419825
  H      -2.541964     -2.817101      0.375592
  H      -0.901564     -2.876732      1.023660
  H      -1.068035     -1.322129      3.685304
  H      -0.414265     -2.933791      3.305493
  H      -1.656975     -2.751309      4.560632
  H      -4.139726     -2.034848      3.715726
  H      -3.353343     -0.676924      2.881077
  H      -4.370152     -1.821661      1.974184
  H      -5.439603     -3.377261     -0.509654
  H      -7.143214     -2.919622     -0.685343
  H      -6.047227     -1.922356      0.293433
  H      -5.731208     -3.852091      1.900969
  H      -6.821634     -4.839902      0.935323
  H      -7.742733     -1.201481      1.711824
  H      -8.409556     -1.605646      3.305595
  H      -6.658012     -1.698380      3.021984
  H      -9.982200     -3.121974      1.894973
  H      -9.287842     -4.439403      0.919668
  H      -9.068806     -2.743115      0.421094
  H      -8.361084     -5.272777      2.877330
  H      -8.936922     -3.946401      3.852174
  H      -6.972017     -5.918655      6.182888
  H      -8.097344     -6.482943      4.915784
  H      -8.536657     -5.093444      5.931021
  H      -7.622058     -2.842710      5.494371
  H      -6.162889     -3.607858      6.173296
  H      -6.047353     -2.663655      4.686571
  H      -0.005961     -3.930774     10.889470
  H       0.001489     -2.435030      9.931223
  H      -1.364458     -2.797749     10.997639
  H      -1.984899     -3.245432      8.612700
  H      -2.072843     -4.688377      9.617141
  H       0.796137     -6.500468      8.108355
  H      -0.421024     -6.541986      9.404439
  H       1.007109     -5.505200      9.561309
  H       1.198916     -4.287294      6.829630
  H       1.266662     -3.403585      8.366990
  H       0.118248     -2.903178      7.098504
  H      -0.577367     -5.674086      6.239184
  H      -1.623114     -4.267970      6.409535
  H      -3.674994     -5.658255      8.753862
  H      -3.911520     -4.456557      7.475119
  H      -4.672510     -6.060842      7.337326
  H      -3.083229     -8.176145      7.402126
  H      -1.315823     -7.920217      7.275909
  H      -2.205373     -7.330733      8.685762
  N      -3.781153     -3.506395      5.350172
  N      -3.682913     -2.588277      6.193810
  H      -3.679295     -1.652465      5.752149
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624654862151
  N      -2.832101     -4.084775      2.678779
  C      -2.714720     -4.929113      1.486516
  C      -2.592195     -6.384306      1.882699
  N      -3.630207     -6.730741      2.869065
  C      -4.969293     -6.891961      2.270568
  C      -6.016394     -6.562301      3.315927
  N      -5.745545     -5.256776      3.943872
  Mo     -3.788906     -4.922829      4.261657
  N      -2.924378     -6.282424      5.484926
  C      -2.299927     -7.412839      4.792845
  C      -3.228177     -7.889060      3.692969
  H      -2.127912     -8.265599      5.463248
  H      -1.306079     -7.150510      4.375254
  H      -4.133304     -8.308334      4.153088
  H      -2.762906     -8.668904      3.061994
  H      -6.998391     -6.574987      2.817572
  H      -6.051670     -7.368196      4.074947
  H      -5.052237     -6.184143      1.435521
  H      -5.100986     -7.915144      1.872056
  H      -1.816118     -4.696619      0.897060
  H      -3.574468     -4.795216      0.796442
  H      -1.617572     -6.538006      2.367678
  H      -2.650390     -7.049291      1.000271
  C      -0.398386      1.358209      0.873671
  C      -0.822013      0.006206      1.452560
  C      -1.618693     -0.917944      0.506021
  C      -2.932925     -0.243334      0.068961
  C      -0.795604     -1.177960     -0.773234
  C      -1.864093     -2.344352      1.101752
  C      -2.421178     -2.623379      2.529555
  C      -1.326056     -2.386091      3.583754
  C      -3.641969     -1.733242      2.791507
  C      -6.303726     -2.956211      0.024370
  C      -6.620021     -3.801634      1.258244
  C      -7.816401     -3.340946      2.121162
  C      -7.638604     -1.880321      2.569005
  C      -9.110573     -3.414738      1.287199
  C      -8.043161     -4.310917      3.315941
  C      -7.000090     -4.617039      4.441782
  C      -7.699903     -5.591452      5.422182
  C      -6.683831     -3.356529      5.241130
  C      -0.638914     -3.247030     10.303966
  C      -1.368967     -3.968883      9.169681
  C      -0.476954     -4.725873      8.158702
  C       0.261656     -5.884071      8.848315
  C       0.587096     -3.768480      7.583906
  C      -1.296274     -5.185614      6.919653
  C      -2.550412     -6.111355      6.933504
  C      -3.770251     -5.525548      7.669176
  C      -2.260174     -7.469116      7.599491
  H      -1.263002      1.948925      0.538065
  H       0.125228      1.949871      1.638404
  H       0.284874      1.248975      0.019829
  H       0.076447     -0.535528      1.791780
  H      -1.427474      0.192556      2.352490
  H      -3.555848     -0.947257     -0.503606
  H      -3.526220      0.117081      0.918146
  H      -2.725787      0.618301     -0.581877
  H       0.196445     -1.588605     -0.529322
  H      -0.652532     -0.257324     -1.355924
  H      -1.312665     -1.903248     -1.420298
  H      -2.541597     -2.818440      0.375734
  H      -0.901315     -2.876771      1.024245
  H      -1.063355     -1.325512      3.682166
  H      -0.417188     -2.941901      3.309246
  H      -1.661235     -2.748189      4.561924
  H      -4.139064     -2.036525      3.716646
  H      -3.352262     -0.677578      2.883742
  H      -4.370072     -1.820643      1.975314
  H      -5.437123     -3.375386     -0.509224
  H      -7.141148     -2.920422     -0.687201
  H      -6.047504     -1.920839      0.291839
  H      -5.730028     -3.849939      1.900738
  H      -6.819945     -4.838590      0.935538
  H      -7.741273     -1.199807      1.710983
  H      -8.408523     -1.603822      3.304606
  H      -6.656958     -1.697036      3.021349
  H      -9.981011     -3.120016      1.893215
  H      -9.286385     -4.437200      0.917781
  H      -9.066799     -2.740773      0.419921
  H      -8.360473     -5.271151      2.875919
  H      -8.936551     -3.944841      3.850822
  H      -6.973071     -5.917457      6.182083
  H      -8.098407     -6.481223      4.914809
  H      -8.537164     -5.091348      5.929819
  H      -7.621737     -2.841663      5.493534
  H      -6.163178     -3.607364      6.172867
  H      -6.046835     -2.662900      4.686257
  H      -0.005870     -3.931566     10.888099
  H       0.000856     -2.434302      9.932091
  H      -1.364654     -2.798998     10.998396
  H      -1.984200     -3.243860      8.611400
  H      -2.073642     -4.687198      9.615132
  H       0.794576     -6.501516      8.108792
  H      -0.419452     -6.538181      9.407916
  H       1.010396     -5.502597      9.558261
  H       1.199166     -4.285764      6.828959
  H       1.265935     -3.401032      8.366070
  H       0.117508     -2.901970      7.097128
  H      -0.575981     -5.674759      6.239467
  H      -1.622215     -4.268648      6.407861
  H      -3.672887     -5.659930      8.754359
  H      -3.911810     -4.458778      7.475611
  H      -4.671122     -6.063840      7.338799
  H      -3.080123     -8.177185      7.402596
  H      -1.312958     -7.920106      7.274873
  H      -2.201712     -7.331166      8.685602
  N      -3.781685     -3.507842      5.351375
  N      -3.681997     -2.590970      6.196073
  H      -3.693534     -1.654044      5.756818
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.594838815153
  N      -2.833270     -4.084827      2.678907
  C      -2.713485     -4.929501      1.487187
  C      -2.591804     -6.384745      1.883549
  N      -3.630425     -6.730834      2.869421
  C      -4.969272     -6.891588      2.270369
  C      -6.016633     -6.562063      3.315464
  N      -5.745637     -5.256774      3.943816
  Mo     -3.788961     -4.923293      4.261994
  N      -2.924315     -6.282876      5.485196
  C      -2.300855     -7.413902      4.793277
  C      -3.229316     -7.889438      3.693378
  H      -2.129324     -8.266645      5.463804
  H      -1.306791     -7.152382      4.375644
  H      -4.134813     -8.307906      4.153467
  H      -2.764642     -8.669666      3.062491
  H      -6.998472     -6.574344      2.816891
  H      -6.052435     -7.368123      4.074272
  H      -5.051851     -6.183465      1.435537
  H      -5.100990     -7.914534      1.871313
  H      -1.813593     -4.697239      0.899501
  H      -3.571687     -4.795519      0.795201
  H      -1.617508     -6.538831      2.369052
  H      -2.649706     -7.049754      1.001131
  C      -0.399337      1.358260      0.873051
  C      -0.822227      0.006213      1.452161
  C      -1.619353     -0.918202      0.506104
  C      -2.933714     -0.243830      0.069338
  C      -0.796712     -1.178407     -0.773456
  C      -1.864212     -2.344496      1.102141
  C      -2.421810     -2.623547      2.529826
  C      -1.327071     -2.386925      3.584477
  C      -3.642399     -1.733111      2.792184
  C      -6.302220     -2.955914      0.024470
  C      -6.619229     -3.801350      1.258069
  C      -7.815750     -3.340368      2.120750
  C      -7.637696     -1.879810      2.568828
  C      -9.109816     -3.413671      1.286401
  C      -8.042926     -4.310506      3.315218
  C      -7.000112     -4.616598      4.441247
  C      -7.700378     -5.590749      5.421621
  C      -6.683828     -3.355879      5.240484
  C      -0.638363     -3.248054     10.304621
  C      -1.368567     -3.969430      9.169939
  C      -0.476459     -4.725300      8.158331
  C       0.263308     -5.883268      8.847072
  C       0.586491     -3.766826      7.583390
  C      -1.295997     -5.185436      6.919413
  C      -2.549901     -6.111442      6.933711
  C      -3.770109     -5.526566      7.669510
  C      -2.258569     -7.468867      7.599906
  H      -1.264412      1.948538      0.537962
  H       0.124463      1.950226      1.637538
  H       0.283464      1.249218      0.018706
  H       0.076602     -0.535391      1.790491
  H      -1.426821      0.192491      2.352751
  H      -3.556648     -0.947870     -0.503166
  H      -3.526711      0.116631      0.918701
  H      -2.726766      0.617638     -0.581627
  H       0.195251     -1.589345     -0.529914
  H      -0.653483     -0.257802     -1.356009
  H      -1.314182     -1.903491     -1.420518
  H      -2.540881     -2.819289      0.375797
  H      -0.900995     -2.876178      1.025081
  H      -1.060261     -1.327094      3.679482
  H      -0.420118     -2.947393      3.313118
  H      -1.665326     -2.744003      4.563418
  H      -4.139638     -2.037536      3.716771
  H      -3.352355     -0.677763      2.885956
  H      -4.370277     -1.819377      1.975839
  H      -5.435093     -3.374919     -0.508510
  H      -7.139097     -2.920204     -0.687756
  H      -6.046308     -1.920533      0.292212
  H      -5.729357     -3.850353      1.900744
  H      -6.819537     -4.838162      0.935056
  H      -7.740074     -1.199268      1.710856
  H      -8.407612     -1.603085      3.304363
  H      -6.655982     -1.696929      3.021332
  H      -9.980353     -3.119263      1.892491
  H      -9.285579     -4.435884      0.916114
  H      -9.065859     -2.739026      0.419649
  H      -8.360060     -5.270637      2.874763
  H      -8.936472     -3.944562      3.849965
  H      -6.973744     -5.917270      6.181504
  H      -8.099353     -6.480259      4.914082
  H      -8.537304     -5.090157      5.929360
  H      -7.621735     -2.840995      5.492907
  H      -6.163211     -3.606658      6.172334
  H      -6.046944     -2.662185      4.685424
  H      -0.004173     -3.932854     10.887249
  H       0.000364     -2.434323      9.933123
  H      -1.363830     -2.801653     11.000363
  H      -1.983932     -3.244171      8.612020
  H      -2.073235     -4.687856      9.615194
  H       0.793884     -6.502197      8.107126
  H      -0.417196     -6.535998      9.409012
  H       1.014169     -5.501511      9.554578
  H       1.198530     -4.283943      6.828231
  H       1.265078     -3.398975      8.365461
  H       0.116234     -2.900689      7.096395
  H      -0.575538     -5.675416      6.239893
  H      -1.621730     -4.268848      6.406838
  H      -3.671986     -5.660190      8.754658
  H      -3.912911     -4.460095      7.475455
  H      -4.670522     -6.065962      7.339987
  H      -3.078293     -8.177422      7.403904
  H      -1.311406     -7.919502      7.274664
  H      -2.199350     -7.330526      8.685906
  N      -3.781946     -3.508495      5.351966
  N      -3.681336     -2.591937      6.196882
  H      -3.705804     -1.654535      5.759107
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624602905141
  N      -2.841670     -4.085153      2.679802
  C      -2.704734     -4.932182      1.492073
  C      -2.588966     -6.387775      1.889705
  N      -3.631941     -6.731428      2.872017
  C      -4.969054     -6.888961      2.268950
  C      -6.018324     -6.560463      3.312112
  N      -5.746391     -5.256843      3.943385
  Mo     -3.789450     -4.926557      4.264380
  N      -2.924088     -6.286025      5.487239
  C      -2.307629     -7.421384      4.796555
  C      -3.237429     -7.892034      3.696370
  H      -2.139640     -8.274000      5.467979
  H      -1.311979     -7.165640      4.378767
  H      -4.145573     -8.304811      4.156129
  H      -2.776917     -8.674951      3.066143
  H      -6.999007     -6.569906      2.811930
  H      -6.057882     -7.367697      4.069402
  H      -5.049066     -6.178668      1.435661
  H      -5.100837     -7.910216      1.866016
  H      -1.795782     -4.701500      0.917054
  H      -3.551812     -4.797687      0.786569
  H      -1.617027     -6.544536      2.378990
  H      -2.644691     -7.052975      1.007370
  C      -0.405858      1.358550      0.868833
  C      -0.823645      0.006247      1.449479
  C      -1.623883     -0.920039      0.506796
  C      -2.939068     -0.247302      0.071958
  C      -0.804306     -1.181674     -0.774848
  C      -1.865010     -2.345489      1.104990
  C      -2.426455     -2.624683      2.531768
  C      -1.334610     -2.392653      3.589757
  C      -3.645709     -1.732193      2.796769
  C      -6.291593     -2.953745      0.025152
  C      -6.613687     -3.799365      1.256717
  C      -7.811208     -3.336325      2.117759
  C      -7.631310     -1.876267      2.567589
  C      -9.104524     -3.406111      1.280669
  C      -8.041348     -4.307725      3.309947
  C      -7.000432     -4.613620      4.437365
  C      -7.703946     -5.585996      5.417443
  C      -6.684080     -3.351444      5.235919
  C      -0.633945     -3.255371     10.309105
  C      -1.365412     -3.973309      9.171703
  C      -0.472818     -4.721170      8.155487
  C       0.275234     -5.877523      8.837843
  C       0.582229     -3.755052      7.579431
  C      -1.294071     -5.184082      6.917595
  C      -2.546390     -6.111847      6.935260
  C      -3.769112     -5.533372      7.671926
  C      -2.247407     -7.466818      7.603082
  H      -1.274110      1.945761      0.537345
  H       0.119226      1.952662      1.631608
  H       0.273742      1.250808      0.010967
  H       0.077715     -0.534474      1.781566
  H      -1.422123      0.192085      2.354674
  H      -3.562063     -0.952160     -0.500148
  H      -3.530014      0.113562      0.922506
  H      -2.733345      0.612931     -0.579917
  H       0.187006     -1.594699     -0.533821
  H      -0.659883     -0.261332     -1.356449
  H      -1.324630     -1.905332     -1.421915
  H      -2.535640     -2.825286      0.376275
  H      -0.898711     -2.871944      1.031249
  H      -1.038814     -1.338895      3.660939
  H      -0.441775     -2.985428      3.341141
  H      -1.694082     -2.713788      4.573473
  H      -4.144138     -2.044689      3.717302
  H      -3.353377     -0.679133      2.901458
  H      -4.371821     -1.810475      1.979266
  H      -5.420846     -3.371602     -0.503565
  H      -7.124650     -2.918423     -0.691657
  H      -6.037741     -1.918351      0.294919
  H      -5.724680     -3.853392      1.900670
  H      -6.816745     -4.835129      0.931433
  H      -7.731620     -1.195486      1.710011
  H      -8.401182     -1.597962      3.302687
  H      -6.649093     -1.696292      3.021219
  H      -9.975777     -3.113992      1.887308
  H      -9.279922     -4.426509      0.904131
  H      -9.059282     -2.726578      0.417725
  H      -8.357148     -5.267103      2.866346
  H      -8.936041     -3.942785      3.843727
  H      -6.978772     -5.916252      6.177217
  H      -8.106257     -6.473602      4.908643
  H      -8.538506     -5.081984      5.925923
  H      -7.622047     -2.836537      5.488528
  H      -6.163685     -3.601842      6.168544
  H      -6.048068     -2.657167      4.679583
  H       0.008469     -3.941979     10.880849
  H      -0.002722     -2.434527      9.940263
  H      -1.357268     -2.820640     11.014236
  H      -1.981779     -3.246337      8.616502
  H      -2.069963     -4.692529      9.615670
  H       0.789035     -6.506937      8.095050
  H      -0.400660     -6.520414      9.416409
  H       1.041061     -5.493841      9.527740
  H       1.193932     -4.271010      6.822692
  H       1.259114     -3.384388      8.360770
  H       0.107213     -2.891568      7.090953
  H      -0.572543     -5.680073      6.242800
  H      -1.618300     -4.270184      6.399455
  H      -3.665623     -5.661461      8.756818
  H      -3.920625     -4.469074      7.474275
  H      -4.666299     -6.080493      7.348570
  H      -3.065596     -8.178729      7.413525
  H      -1.300702     -7.915083      7.273428
  H      -2.182772     -7.325557      8.688246
  N      -3.783993     -3.512932      5.355943
  N      -3.677034     -2.598118      6.201841
  H      -3.792233     -1.661109      5.777911
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.549765330295
  N      -2.835376     -4.085083      2.679114
  C      -2.711401     -4.930476      1.488474
  C      -2.591344     -6.385805      1.885121
  N      -3.630904     -6.731035      2.870258
  C      -4.969422     -6.890888      2.270383
  C      -6.017179     -6.561321      3.314951
  N      -5.745895     -5.256358      3.943846
  Mo     -3.789208     -4.923674      4.262617
  N      -2.924117     -6.283246      5.485626
  C      -2.302271     -7.415352      4.794075
  C      -3.231318     -7.890030      3.694450
  H      -2.131229     -8.267854      5.465051
  H      -1.307991     -7.155035      4.376049
  H      -4.137354     -8.307026      4.154823
  H      -2.767905     -8.671091      3.063712
  H      -6.998761     -6.572905      2.815990
  H      -6.054070     -7.367519      4.073548
  H      -5.051260     -6.182389      1.435762
  H      -5.101338     -7.913494      1.870539
  H      -1.809350     -4.698730      0.903794
  H      -3.566999     -4.796397      0.793251
  H      -1.617547     -6.540749      2.371330
  H      -2.649040     -7.050838      1.002737
  C      -0.402743      1.359167      0.871991
  C      -0.823632      0.006699      1.451475
  C      -1.620649     -0.918697      0.506208
  C      -2.935598     -0.245397      0.069718
  C      -0.798435     -1.178612     -0.773656
  C      -1.863857     -2.345010      1.102764
  C      -2.422155     -2.624298      2.530258
  C      -1.327605     -2.389456      3.585328
  C      -3.641913     -1.732853      2.793440
  C      -6.299564     -2.956145      0.024133
  C      -6.617771     -3.801126      1.257687
  C      -7.814466     -3.339199      2.119764
  C      -7.635934     -1.878596      2.567586
  C      -9.108233     -3.411834      1.284704
  C      -8.042751     -4.309163      3.314114
  C      -7.000289     -4.615361      4.440378
  C      -7.701346     -5.589195      5.420521
  C      -6.683861     -3.354546      5.239579
  C      -0.637670     -3.251084     10.306485
  C      -1.367786     -3.971566      9.170888
  C      -0.475304     -4.724449      8.157746
  C       0.267082     -5.882190      8.844157
  C       0.585391     -3.763555      7.582890
  C      -1.295329     -5.184937      6.918987
  C      -2.549134     -6.111018      6.934030
  C      -3.769841     -5.527502      7.669888
  C      -2.256265     -7.467930      7.600740
  H      -1.268847      1.948294      0.537507
  H       0.120850      1.951852      1.636142
  H       0.279588      1.250971      0.017058
  H       0.076078     -0.534096      1.788742
  H      -1.427326      0.192470      2.352811
  H      -3.558230     -0.949968     -0.502542
  H      -3.528390      0.115081      0.919154
  H      -2.729218      0.615865     -0.581627
  H       0.193677     -1.589348     -0.530626
  H      -0.655567     -0.257882     -1.356027
  H      -1.316043     -1.903681     -1.420669
  H      -2.538991     -2.821156      0.375895
  H      -0.899717     -2.875129      1.026427
  H      -1.051591     -1.331383      3.672956
  H      -0.425214     -2.960046      3.319939
  H      -1.671321     -2.736031      4.566132
  H      -4.139348     -2.038581      3.717409
  H      -3.350696     -0.678088      2.889252
  H      -4.369795     -1.817184      1.977060
  H      -5.431789     -3.375275     -0.507827
  H      -7.135640     -2.920703     -0.689082
  H      -6.044007     -1.920615      0.291894
  H      -5.728075     -3.851093      1.900632
  H      -6.818861     -4.837854      0.934531
  H      -7.737630     -1.198364      1.709353
  H      -8.405952     -1.601142      3.302799
  H      -6.654220     -1.696245      3.020401
  H      -9.978930     -3.117842      1.890914
  H      -9.283856     -4.433684      0.913115
  H      -9.063969     -2.736152      0.418705
  H      -8.360023     -5.269128      2.873346
  H      -8.936426     -3.942923      3.848511
  H      -6.975069     -5.916939      6.180198
  H      -8.101343     -6.477997      4.912501
  H      -8.537583     -5.087793      5.928596
  H      -7.621638     -2.839422      5.492030
  H      -6.163420     -3.605571      6.171490
  H      -6.046909     -2.660955      4.684279
  H      -0.001453     -3.936244     10.886546
  H      -0.000947     -2.435392      9.935900
  H      -1.362977     -2.807944     11.004449
  H      -1.983622     -3.245895      8.613886
  H      -2.072188     -4.690540      9.615640
  H       0.794188     -6.502613      8.103011
  H      -0.412430     -6.533425      9.409018
  H       1.021045     -5.500347      9.548265
  H       1.197521     -4.279986      6.827215
  H       1.263569     -3.395179      8.364916
  H       0.113843     -2.898132      7.095586
  H      -0.574889     -5.676457      6.240422
  H      -1.620451     -4.268765      6.405339
  H      -3.670642     -5.659372      8.755105
  H      -3.914937     -4.461638      7.474743
  H      -4.669233     -6.069277      7.341867
  H      -3.076261     -8.176856      7.407292
  H      -1.309800     -7.918781      7.273817
  H      -2.194697     -7.328408      8.686437
  N      -3.782574     -3.509378      5.353284
  N      -3.679506     -2.593975      6.199065
  H      -3.727624     -1.656076      5.764463
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624551505083
  N      -2.836026     -4.089852      2.683533
  C      -2.716955     -4.936964      1.493225
  C      -2.593482     -6.391029      1.891724
  N      -3.634314     -6.736497      2.874751
  C      -4.973497     -6.892401      2.273874
  C      -6.021760     -6.557701      3.316668
  N      -5.749863     -5.251613      3.943695
  Mo     -3.793635     -4.925136      4.267230
  N      -2.926882     -6.288340      5.488001
  C      -2.305626     -7.421546      4.797782
  C      -3.235643     -7.895992      3.698133
  H      -2.139618     -8.274888      5.469563
  H      -1.309736     -7.163937      4.381535
  H      -4.141548     -8.313788      4.158980
  H      -2.772328     -8.677162      3.066565
  H      -7.002962     -6.569371      2.815654
  H      -6.060116     -7.362633      4.076690
  H      -5.050982     -6.185869      1.437086
  H      -5.109241     -7.916371      1.877749
  H      -1.819811     -4.703900      0.902637
  H      -3.578123     -4.806628      0.803960
  H      -1.620030     -6.542865      2.380103
  H      -2.648551     -7.057176      1.009872
  C      -0.422278      1.365959      0.891944
  C      -0.834972      0.006730      1.465464
  C      -1.622091     -0.919703      0.515467
  C      -2.940544     -0.251112      0.077755
  C      -0.794534     -1.170466     -0.761457
  C      -1.861377     -2.349540      1.108646
  C      -2.416400     -2.631383      2.535899
  C      -1.317032     -2.405880      3.588500
  C      -3.631598     -1.736403      2.801233
  C      -6.295424     -2.959379      0.014764
  C      -6.612386     -3.798250      1.254188
  C      -7.811743     -3.335300      2.110331
  C      -7.637346     -1.872733      2.552202
  C      -9.100947     -3.412957      1.271325
  C      -8.045323     -4.299648      3.309767
  C      -7.004829     -4.608833      4.437629
  C      -7.707964     -5.582004      5.416061
  C      -6.687410     -3.351536      5.238914
  C      -0.629047     -3.236085     10.286107
  C      -1.360028     -3.965218      9.158499
  C      -0.469997     -4.724178      8.147215
  C       0.272673     -5.878967      8.838418
  C       0.591237     -3.768075      7.565417
  C      -1.293102     -5.188077      6.913286
  C      -2.546942     -6.114314      6.934666
  C      -3.761349     -5.525240      7.676590
  C      -2.255203     -7.471603      7.600674
  H      -1.290864      1.952635      0.557411
  H       0.095856      1.957199      1.658974
  H       0.263052      1.266906      0.040083
  H       0.067442     -0.528830      1.806502
  H      -1.446153      0.183369      2.362394
  H      -3.559758     -0.957614     -0.494473
  H      -3.537289      0.105117      0.926018
  H      -2.737745      0.613975     -0.572471
  H       0.199375     -1.577275     -0.515416
  H      -0.654782     -0.246345     -1.342041
  H      -1.306409     -1.895808     -1.411109
  H      -2.539340     -2.823536      0.383112
  H      -0.897395     -2.880273      1.030623
  H      -1.029020     -1.350424      3.674506
  H      -0.422120     -2.986969      3.320687
  H      -1.663235     -2.749390      4.569784
  H      -4.127816     -2.037160      3.728799
  H      -3.335651     -0.681020      2.891541
  H      -4.363223     -1.820130      1.985715
  H      -5.422345     -3.374976     -0.509698
  H      -7.128359     -2.937821     -0.702080
  H      -6.050571     -1.919153      0.274405
  H      -5.724522     -3.837965      1.899300
  H      -6.808159     -4.838067      0.938158
  H      -7.738563     -1.194392      1.691153
  H      -8.410319     -1.595793      3.284585
  H      -6.658401     -1.685221      3.006408
  H      -9.973944     -3.112062      1.870236
  H      -9.276726     -4.437867      0.910352
  H      -9.050866     -2.746683      0.398269
  H      -8.366800     -5.260286      2.874911
  H      -8.938106     -3.926879      3.840748
  H      -6.984600     -5.904819      6.180027
  H      -8.102289     -6.473121      4.909172
  H      -8.549261     -5.083133      5.917399
  H      -7.624291     -2.833705      5.487988
  H      -6.171151     -3.605785      6.170902
  H      -6.045603     -2.660719      4.687094
  H       0.004864     -3.915125     10.875190
  H       0.009176     -2.425176      9.908367
  H      -1.355169     -2.783463     10.977247
  H      -1.980621     -3.245189      8.600740
  H      -2.058518     -4.686261      9.609360
  H       0.811983     -6.489516      8.097553
  H      -0.404689     -6.540093      9.393679
  H       1.016017     -5.495468      9.553374
  H       1.202155     -4.284118      6.809339
  H       1.273928     -3.397198      8.343897
  H       0.117780     -2.903400      7.080756
  H      -0.577111     -5.673303      6.226888
  H      -1.623625     -4.270790      6.405368
  H      -3.663008     -5.661931      8.762446
  H      -3.900454     -4.457426      7.486005
  H      -4.664503     -6.062173      7.346510
  H      -3.081997     -8.175996      7.417536
  H      -1.314764     -7.929697      7.265819
  H      -2.181860     -7.329080      8.685651
  N      -3.789504     -3.513503      5.361185
  N      -3.682620     -2.603680      6.212846
  H      -3.741264     -1.665103      5.786707
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624666926654
  N      -2.842222     -4.085940      2.686882
  C      -2.723800     -4.931406      1.495516
  C      -2.598354     -6.385867      1.892847
  N      -3.635693     -6.733232      2.879215
  C      -4.974631     -6.896811      2.280787
  C      -6.022571     -6.565633      3.324753
  N      -5.753851     -5.258575      3.950341
  Mo     -3.797796     -4.922885      4.270693
  N      -2.928958     -6.281554      5.493350
  C      -2.303026     -7.411460      4.801695
  C      -3.231627     -7.890259      3.703354
  H      -2.129968     -8.263491      5.472863
  H      -1.309643     -7.148156      4.383458
  H      -4.135580     -8.310799      4.164877
  H      -2.765860     -8.669995      3.072377
  H      -7.004231     -6.580603      2.825290
  H      -6.057856     -7.369829      4.085482
  H      -5.057818     -6.191334      1.443750
  H      -5.105405     -7.921255      1.884906
  H      -1.826335     -4.697514      0.905058
  H      -3.584637     -4.800244      0.806085
  H      -1.623438     -6.537359      2.377955
  H      -2.655295     -7.051610      1.010868
  C      -0.409420      1.352123      0.863789
  C      -0.830561      0.000293      1.445935
  C      -1.632744     -0.923987      0.504778
  C      -2.948686     -0.248006      0.073665
  C      -0.816565     -1.186298     -0.778056
  C      -1.876759     -2.349583      1.103903
  C      -2.426988     -2.625698      2.534808
  C      -1.324107     -2.389189      3.581549
  C      -3.643714     -1.731908      2.801223
  C      -6.261873     -2.946011      0.028794
  C      -6.592573     -3.793592      1.257819
  C      -7.798258     -3.333115      2.107309
  C      -7.624225     -1.873433      2.559231
  C      -9.082281     -3.403888      1.258082
  C      -8.041054     -4.303940      3.298634
  C      -7.011067     -4.614186      4.435506
  C      -7.726481     -5.586391      5.405970
  C      -6.701082     -3.355642      5.239640
  C      -0.618742     -3.271415     10.320288
  C      -1.356444     -3.987068      9.187480
  C      -0.470650     -4.721383      8.154692
  C       0.289095     -5.881082      8.819003
  C       0.576018     -3.745684      7.578480
  C      -1.301755     -5.173915      6.920931
  C      -2.548888     -6.109175      6.940470
  C      -3.767766     -5.534699      7.686289
  C      -2.243768     -7.466070      7.601688
  H      -1.275315      1.943871      0.532742
  H       0.119143      1.943163      1.625120
  H       0.269041      1.242386      0.006581
  H       0.069491     -0.541635      1.781402
  H      -1.431995      0.187193      2.348268
  H      -3.576523     -0.952185     -0.492711
  H      -3.536587      0.116027      0.924990
  H      -2.743689      0.611882     -0.580858
  H       0.176276     -1.598133     -0.538658
  H      -0.675337     -0.266273     -1.362760
  H      -1.337979     -1.911417     -1.421367
  H      -2.558506     -2.823903      0.382063
  H      -0.915019     -2.883461      1.022777
  H      -1.043134     -1.331649      3.660931
  H      -0.426200     -2.964688      3.311950
  H      -1.660006     -2.729367      4.567223
  H      -4.136994     -2.031782      3.729799
  H      -3.350382     -0.676616      2.889516
  H      -4.376483     -1.818811      1.988612
  H      -5.388413     -3.363652     -0.494450
  H      -7.090519     -2.910525     -0.693168
  H      -6.010462     -1.910388      0.300570
  H      -5.710008     -3.843137      1.910289
  H      -6.789618     -4.829960      0.931070
  H      -7.716219     -1.191603      1.701187
  H      -8.402588     -1.597665      3.286223
  H      -6.648004     -1.691418      3.023167
  H      -9.959361     -3.108318      1.853974
  H      -9.255308     -4.425680      0.885924
  H      -9.026921     -2.729326      0.391857
  H      -8.356090     -5.262996      2.854863
  H      -8.939454     -3.935800      3.823564
  H      -7.016746     -5.910069      6.181324
  H      -8.115390     -6.477358      4.893668
  H      -8.573912     -5.085574      5.895604
  H      -7.640539     -2.838613      5.481539
  H      -6.191801     -3.609025      6.176645
  H      -6.055925     -2.663553      4.692555
  H       0.028568     -3.955878     10.888581
  H       0.007808     -2.447924      9.949801
  H      -1.340242     -2.838875     11.028918
  H      -1.987246     -3.262004      8.647128
  H      -2.046578     -4.719023      9.633524
  H       0.820730     -6.480354      8.063732
  H      -0.378170     -6.551945      9.375611
  H       1.041013     -5.502212      9.527226
  H       1.179125     -4.243253      6.803437
  H       1.266307     -3.387330      8.355381
  H       0.090161     -2.872425      7.117330
  H      -0.586779     -5.649469      6.226003
  H      -1.640889     -4.253722      6.423814
  H      -3.660570     -5.667464      8.771035
  H      -3.921799     -4.469413      7.493871
  H      -4.665544     -6.083319      7.364066
  H      -3.061455     -8.179010      7.412601
  H      -1.297107     -7.911239      7.267477
  H      -2.175304     -7.328267      8.687308
  N      -3.794625     -3.507853      5.360149
  N      -3.692384     -2.592757      6.206952
  H      -3.758049     -1.655021      5.774679
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624577992772
  N      -2.846629     -4.071165      2.686617
  C      -2.717695     -4.914399      1.494529
  C      -2.594205     -6.370294      1.889726
  N      -3.632832     -6.721059      2.874325
  C      -4.968980     -6.893446      2.273401
  C      -6.019456     -6.571283      3.317412
  N      -5.758703     -5.263970      3.944888
  Mo     -3.803820     -4.914280      4.265394
  N      -2.934737     -6.266485      5.492242
  C      -2.304591     -7.395092      4.801611
  C      -3.227656     -7.876329      3.700541
  H      -2.127736     -8.245792      5.472604
  H      -1.311878     -7.127856      4.384666
  H      -4.132077     -8.298702      4.158678
  H      -2.757749     -8.654855      3.071901
  H      -7.000672     -6.591351      2.818137
  H      -6.050307     -7.376439      4.077042
  H      -5.057496     -6.187071      1.437819
  H      -5.091164     -7.917442      1.874592
  H      -1.814241     -4.679846      0.912820
  H      -3.571205     -4.781181      0.796782
  H      -1.620447     -6.522822      2.376326
  H      -2.648592     -7.034474      1.006490
  C      -0.335994      1.346602      0.890760
  C      -0.782957      0.004134      1.471785
  C      -1.586435     -0.913202      0.522783
  C      -2.888620     -0.223917      0.075285
  C      -0.758778     -1.186814     -0.751564
  C      -1.851209     -2.335466      1.118601
  C      -2.426385     -2.610343      2.541261
  C      -1.341359     -2.373993      3.606223
  C      -3.644648     -1.712232      2.790241
  C      -6.362263     -2.975760     -0.005874
  C      -6.659011     -3.821278      1.232016
  C      -7.849867     -3.366377      2.106155
  C      -7.676664     -1.904490      2.552593
  C      -9.151671     -3.447233      1.282919
  C      -8.062138     -4.337367      3.301901
  C      -7.018908     -4.628280      4.432242
  C      -7.722315     -5.601136      5.410745
  C      -6.718078     -3.360638      5.228333
  C      -0.578354     -3.280233     10.316148
  C      -1.328849     -3.986969      9.184635
  C      -0.454380     -4.726340      8.146276
  C       0.298443     -5.894696      8.803551
  C       0.597506     -3.757084      7.568401
  C      -1.294950     -5.169771      6.914342
  C      -2.554926     -6.087547      6.938914
  C      -3.769873     -5.489397      7.671975
  C      -2.269115     -7.440340      7.617568
  H      -1.190117      1.947263      0.547412
  H       0.191106      1.934559      1.657226
  H       0.351137      1.223567      0.040720
  H       0.105638     -0.548667      1.817508
  H      -1.390057      0.203651      2.368723
  H      -3.516564     -0.921582     -0.499927
  H      -3.482282      0.147429      0.919716
  H      -2.665635      0.631585     -0.576584
  H       0.226880     -1.607539     -0.501592
  H      -0.602013     -0.270111     -1.334919
  H      -1.280035     -1.908351     -1.400457
  H      -2.522986     -2.805728      0.384823
  H      -0.891536     -2.874358      1.051203
  H      -1.062007     -1.316856      3.688063
  H      -0.438619     -2.949370      3.352872
  H      -1.690821     -2.710567      4.588410
  H      -4.156335     -2.016218      3.706148
  H      -3.349499     -0.659983      2.892259
  H      -4.361194     -1.790680      1.964809
  H      -5.500694     -3.392333     -0.550560
  H      -7.209387     -2.943037     -0.707019
  H      -6.106668     -1.939209      0.258412
  H      -5.761282     -3.865017      1.864699
  H      -6.856872     -4.859719      0.911781
  H      -7.789956     -1.225514      1.695218
  H      -8.441930     -1.631307      3.294253
  H      -6.691772     -1.716090      2.997256
  H     -10.018619     -3.160993      1.898394
  H      -9.323165     -4.469702      0.910210
  H      -9.121214     -2.769081      0.418413
  H      -8.367581     -5.301909      2.862127
  H      -8.960409     -3.981753      3.835974
  H      -7.014943     -5.911661      6.192857
  H      -8.100907     -6.500394      4.904060
  H      -8.576395     -5.104808      5.894349
  H      -7.662078     -2.854907      5.477336
  H      -6.196122     -3.602675      6.162822
  H      -6.087821     -2.661699      4.671543
  H       0.068187     -3.972544     10.876258
  H       0.051963     -2.460096      9.944025
  H      -1.291082     -2.846066     11.032556
  H      -1.953385     -3.253995      8.646648
  H      -2.026713     -4.710293      9.632954
  H       0.813296     -6.504974      8.045697
  H      -0.373514     -6.553354      9.369577
  H       1.063801     -5.523410      9.500958
  H       1.184403     -4.256363      6.781484
  H       1.299617     -3.416476      8.341583
  H       0.117592     -2.870959      7.120285
  H      -0.586124     -5.663109      6.224529
  H      -1.619558     -4.248167      6.409928
  H      -3.659443     -5.597017      8.758148
  H      -3.917355     -4.427959      7.454094
  H      -4.671930     -6.038308      7.366796
  H      -3.091547     -8.147275      7.428606
  H      -1.323896     -7.897535      7.296610
  H      -2.209136     -7.292226      8.702020
  N      -3.807351     -3.498033      5.353112
  N      -3.715257     -2.578271      6.196180
  H      -3.785587     -1.641574      5.757606
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624691999818
  N      -2.843920     -4.085121      2.681888
  C      -2.719656     -4.931801      1.491552
  C      -2.597292     -6.386621      1.889564
  N      -3.635786     -6.732976      2.875540
  C      -4.974251     -6.898969      2.277071
  C      -6.022052     -6.570235      3.322146
  N      -5.754670     -5.263597      3.948945
  Mo     -3.798258     -4.922865      4.265077
  N      -2.928955     -6.277859      5.489918
  C      -2.304029     -7.409240      4.799527
  C      -3.232372     -7.888839      3.701725
  H      -2.129946     -8.260054      5.471640
  H      -1.310918     -7.146494      4.380326
  H      -4.136830     -8.307968      4.163261
  H      -2.766844     -8.669740      3.072369
  H      -7.004006     -6.586390      2.823873
  H      -6.055387     -7.374879      4.082354
  H      -5.059800     -6.193275      1.440485
  H      -5.102730     -7.923170      1.880268
  H      -1.818850     -4.699434      0.905515
  H      -3.576345     -4.800050      0.797357
  H      -1.623108     -6.539500      2.375543
  H      -2.653973     -7.052548      1.007750
  C      -0.404112      1.360159      0.869261
  C      -0.830371      0.012290      1.455173
  C      -1.612839     -0.923036      0.507366
  C      -2.924926     -0.257573      0.051044
  C      -0.774654     -1.188095     -0.761291
  C      -1.857686     -2.347000      1.109227
  C      -2.433820     -2.623000      2.530851
  C      -1.354689     -2.377323      3.599367
  C      -3.660614     -1.735370      2.772898
  C      -6.287181     -2.947302      0.029161
  C      -6.610591     -3.796165      1.258670
  C      -7.810198     -3.335397      2.116944
  C      -7.631046     -1.876744      2.570762
  C      -9.100830     -3.402740      1.276215
  C      -8.045150     -4.309322      3.306287
  C      -7.010178     -4.620758      4.438450
  C      -7.724600     -5.593831      5.408595
  C      -6.696710     -3.363109      5.244162
  C      -0.610745     -3.277466     10.318269
  C      -1.349392     -3.994027      9.185737
  C      -0.464012     -4.725307      8.150813
  C       0.297611     -5.886021      8.811077
  C       0.580717     -3.746502      7.576347
  C      -1.296632     -5.175478      6.916612
  C      -2.549907     -6.102637      6.937064
  C      -3.767407     -5.515714      7.674878
  C      -2.256526     -7.457576      7.607711
  H      -1.266608      1.944970      0.518453
  H       0.108929      1.960326      1.634917
  H       0.289329      1.245347      0.024023
  H       0.065890     -0.523301      1.809263
  H      -1.446630      0.205157      2.346664
  H      -3.538934     -0.968521     -0.522543
  H      -3.528529      0.107529      0.890998
  H      -2.714003      0.599293     -0.604374
  H       0.216842     -1.591494     -0.504212
  H      -0.630305     -0.271038     -1.348670
  H      -1.280794     -1.920857     -1.408865
  H      -2.521164     -2.829653      0.375987
  H      -0.890343     -2.873088      1.047890
  H      -1.080092     -1.318564      3.678715
  H      -0.448594     -2.950271      3.352190
  H      -1.708909     -2.712330      4.580634
  H      -4.172298     -2.040223      3.689260
  H      -3.374867     -0.679478      2.870764
  H      -4.374786     -1.823752      1.945072
  H      -5.419289     -3.366878     -0.502309
  H      -7.121631     -2.906897     -0.685976
  H      -6.029911     -1.913374      0.301625
  H      -5.723462     -3.849038      1.905211
  H      -6.811604     -4.831663      0.931302
  H      -7.727307     -1.194343      1.714468
  H      -8.404146     -1.600319      3.303077
  H      -6.651087     -1.697606      3.028882
  H      -9.973531     -3.109993      1.880131
  H      -9.276378     -4.422863      0.899797
  H      -9.052187     -2.723619      0.413215
  H      -8.360386     -5.267539      2.860206
  H      -8.941748     -3.944340      3.836660
  H      -7.021213     -5.914549      6.190779
  H      -8.108464     -6.486915      4.895690
  H      -8.576459     -5.094292      5.892387
  H      -7.635200     -2.848120      5.494239
  H      -6.180159     -3.618291      6.177491
  H      -6.056442     -2.668108      4.694214
  H       0.039755     -3.961505     10.883638
  H       0.013170     -2.452254      9.946870
  H      -1.331096     -2.847877     11.029795
  H      -1.980786     -3.269036      8.645490
  H      -2.039605     -4.725733      9.632461
  H       0.826000     -6.486606      8.054649
  H      -0.369174     -6.555462      9.369872
  H       1.052633     -5.507510      9.515944
  H       1.175147     -4.238630      6.790994
  H       1.277640     -3.399047      8.351702
  H       0.093707     -2.865680      7.128629
  H      -0.582746     -5.659891      6.226229
  H      -1.628268     -4.255284      6.414227
  H      -3.657505     -5.631817      8.760751
  H      -3.919774     -4.453356      7.466217
  H      -4.666921     -6.067093      7.364150
  H      -3.076679     -8.167075      7.417086
  H      -1.310177     -7.909474      7.282208
  H      -2.194693     -7.314351      8.692959
  N      -3.794875     -3.505892      5.351711
  N      -3.694900     -2.588089      6.196141
  H      -3.758352     -1.650539      5.760627
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624562588258
  N      -2.837588     -4.087266      2.677786
  C      -2.727446     -4.932165      1.485250
  C      -2.604630     -6.387080      1.881700
  N      -3.637908     -6.731982      2.873126
  C      -4.979261     -6.895347      2.280058
  C      -6.022742     -6.561603      3.327547
  N      -5.750559     -5.253833      3.949788
  Mo     -3.792961     -4.919505      4.263182
  N      -2.923833     -6.277844      5.485564
  C      -2.299196     -7.408002      4.793289
  C      -3.230984     -7.887912      3.697812
  H      -2.124324     -8.259346      5.465179
  H      -1.306775     -7.144797      4.372464
  H      -4.133607     -8.307796      4.162665
  H      -2.767303     -8.668705      3.066558
  H      -7.006404     -6.576691      2.832110
  H      -6.055372     -7.364392      4.089906
  H      -5.065142     -6.191074      1.442157
  H      -5.112399     -7.920278      1.886201
  H      -1.831310     -4.701685      0.891615
  H      -3.590462     -4.797272      0.799269
  H      -1.627708     -6.541221      2.362036
  H      -2.667484     -7.052646      1.000031
  C      -0.376242      1.342508      0.865982
  C      -0.802689     -0.010217      1.442333
  C      -1.630134     -0.916708      0.505828
  C      -2.945980     -0.222675      0.104272
  C      -0.838818     -1.174221     -0.793462
  C      -1.879218     -2.345733      1.094483
  C      -2.410326     -2.630584      2.530817
  C      -1.289455     -2.416513      3.562215
  C      -3.613538     -1.727669      2.827065
  C      -6.282388     -2.980434      0.015172
  C      -6.606974     -3.814347      1.255164
  C      -7.804757     -3.341708      2.109283
  C      -7.621054     -1.879712      2.550220
  C      -9.095584     -3.413122      1.270286
  C      -8.041989     -4.303245      3.308706
  C      -7.004365     -4.608142      4.440109
  C      -7.714191     -5.575788      5.418928
  C      -6.687970     -3.346495      5.236885
  C      -0.655184     -3.275471     10.335169
  C      -1.381767     -3.997875      9.199145
  C      -0.484832     -4.709914      8.160703
  C       0.292246     -5.863755      8.814494
  C       0.546659     -3.713009      7.593778
  C      -1.309065     -5.163579      6.922707
  C      -2.548108     -6.109911      6.934212
  C      -3.773454     -5.550613      7.680516
  C      -2.234350     -7.467986      7.588537
  H      -1.240855      1.946643      0.554223
  H       0.170712      1.920686      1.624157
  H       0.287221      1.233637     -0.002969
  H       0.096715     -0.565041      1.757964
  H      -1.387282      0.174732      2.356031
  H      -3.590588     -0.914191     -0.459050
  H      -3.515558      0.137955      0.969374
  H      -2.743083      0.642230     -0.544390
  H       0.153779     -1.598528     -0.575572
  H      -0.698297     -0.249612     -1.371193
  H      -1.378760     -1.887352     -1.434858
  H      -2.577185     -2.805112      0.378627
  H      -0.924520     -2.888957      0.992904
  H      -0.991953     -1.363565      3.642815
  H      -0.404085     -3.003716      3.276255
  H      -1.615807     -2.756489      4.550988
  H      -4.094071     -2.032798      3.761088
  H      -3.307761     -0.676451      2.922085
  H      -4.361075     -1.797819      2.026274
  H      -5.413830     -3.405835     -0.509883
  H      -7.115750     -2.950008     -0.701156
  H      -6.026367     -1.942857      0.274421
  H      -5.719811     -3.860800      1.901673
  H      -6.809868     -4.853288      0.940308
  H      -7.717160     -1.201251      1.688232
  H      -8.392219     -1.596142      3.281928
  H      -6.640446     -1.699343      3.005329
  H      -9.966837     -3.110398      1.871163
  H      -9.275285     -4.436603      0.905868
  H      -9.044494     -2.744131      0.399426
  H      -8.361420     -5.264808      2.873279
  H      -8.936111     -3.929825      3.837183
  H      -7.005520     -5.890316      6.199689
  H      -8.098565     -6.472700      4.913769
  H      -8.564886     -5.074905      5.902951
  H      -7.625400     -2.829612      5.486513
  H      -6.168924     -3.596411      6.169409
  H      -6.048998     -2.655574      4.680974
  H       0.003990     -3.951845     10.899475
  H      -0.042697     -2.440027      9.967955
  H      -1.382970     -2.858592     11.046684
  H      -2.024765     -3.280465      8.662994
  H      -2.059382     -4.743687      9.641698
  H       0.835435     -6.446682      8.054593
  H      -0.365298     -6.550866      9.362259
  H       1.036223     -5.479721      9.528171
  H       1.149872     -4.190834      6.806656
  H       1.237499     -3.359402      8.372270
  H       0.047833     -2.838241      7.151195
  H      -0.587974     -5.629359      6.227452
  H      -1.655042     -4.244017      6.428987
  H      -3.663421     -5.682359      8.765040
  H      -3.940385     -4.487605      7.489277
  H      -4.665116     -6.110204      7.359588
  H      -3.045803     -8.186278      7.392583
  H      -1.283145     -7.903889      7.254977
  H      -2.170862     -7.335467      8.675311
  N      -3.786128     -3.501427      5.348200
  N      -3.680739     -2.585316      6.193655
  H      -3.744295     -1.647366      5.761262
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624725154223
  N      -2.844059     -4.080876      2.686184
  C      -2.721909     -4.926167      1.494919
  C      -2.597792     -6.381050      1.891700
  N      -3.635635     -6.728867      2.877618
  C      -4.973727     -6.895378      2.278512
  C      -6.022216     -6.567419      3.322898
  N      -5.756445     -5.260578      3.949782
  Mo     -3.800431     -4.918716      4.268204
  N      -2.930853     -6.274373      5.492457
  C      -2.303793     -7.404344      4.801747
  C      -3.231031     -7.884758      3.703248
  H      -2.129116     -8.255347      5.473662
  H      -1.310751     -7.139921      4.383372
  H      -4.135024     -8.305507      4.164356
  H      -2.764208     -8.664734      3.073539
  H      -7.003912     -6.584187      2.823818
  H      -6.055418     -7.372180      4.083054
  H      -5.058863     -6.189604      1.441904
  H      -5.101667     -7.919704      1.881688
  H      -1.822217     -4.692563      0.907523
  H      -3.580123     -4.794096      0.802544
  H      -1.623202     -6.533300      2.377172
  H      -2.654339     -7.046366      1.009426
  C      -0.389152      1.351162      0.869065
  C      -0.818105      0.002790      1.452610
  C      -1.617271     -0.922193      0.509003
  C      -2.929584     -0.244944      0.070114
  C      -0.795084     -1.188237     -0.769624
  C      -1.866341     -2.346295      1.108621
  C      -2.428417     -2.620618      2.535467
  C      -1.334682     -2.382741      3.590714
  C      -3.647429     -1.726254      2.791654
  C      -6.287091     -2.956490      0.021414
  C      -6.610081     -3.802419      1.253339
  C      -7.812175     -3.342313      2.108451
  C      -7.637038     -1.882228      2.559040
  C      -9.100887     -3.414476      1.265685
  C      -8.047666     -4.313393      3.300420
  C      -7.014302     -4.619262      4.435694
  C      -7.727912     -5.592140      5.406465
  C      -6.706803     -3.359141      5.239184
  C      -0.603633     -3.281950     10.323745
  C      -1.346232     -3.997441      9.193366
  C      -0.464323     -4.724198      8.152316
  C       0.300282     -5.887075      8.805043
  C       0.577519     -3.742410      7.577825
  C      -1.300147     -5.170839      6.919181
  C      -2.552019     -6.099841      6.939579
  C      -3.770235     -5.516234      7.678887
  C      -2.255701     -7.455068      7.608042
  H      -1.251275      1.944009      0.530637
  H       0.136191      1.943461      1.632127
  H       0.294373      1.236432      0.016112
  H       0.078296     -0.540727      1.794604
  H      -1.423771      0.194812      2.351353
  H      -3.555418     -0.948839     -0.499259
  H      -3.521111      0.121000      0.918177
  H      -2.719681      0.613433     -0.584177
  H       0.196159     -1.600364     -0.525003
  H      -0.650247     -0.269684     -1.355081
  H      -1.314031     -1.914287     -1.414286
  H      -2.542162     -2.821457      0.381759
  H      -0.904041     -2.880338      1.035441
  H      -1.050273     -1.325906      3.665385
  H      -0.436514     -2.963495      3.333036
  H      -1.679963     -2.713807      4.576150
  H      -4.149878     -2.027587      3.714451
  H      -3.354416     -0.671629      2.885322
  H      -4.372250     -1.810848      1.972292
  H      -5.416478     -3.374445     -0.506677
  H      -7.120052     -2.922005     -0.695606
  H      -6.034543     -1.920511      0.290622
  H      -5.723951     -3.850412      1.901347
  H      -6.807561     -4.839586      0.929108
  H      -7.733791     -1.201068      1.701043
  H      -8.411745     -1.606288      3.289903
  H      -6.658283     -1.699833      3.017974
  H      -9.975208     -3.121527      1.867105
  H      -9.273889     -4.436022      0.892246
  H      -9.051791     -2.737969      0.400605
  H      -8.359433     -5.273887      2.856878
  H      -8.946352     -3.948958      3.827513
  H      -7.026078     -5.906815      6.192799
  H      -8.105481     -6.488863      4.895489
  H      -8.584212     -5.095083      5.884847
  H      -7.647626     -2.847165      5.486618
  H      -6.191031     -3.610576      6.173507
  H      -6.068315     -2.663037      4.688993
  H       0.050087     -3.965947     10.885352
  H       0.017591     -2.455428      9.950933
  H      -1.321523     -2.854302     11.038895
  H      -1.981632     -3.272479      8.658105
  H      -2.032290     -4.731971      9.641756
  H       0.830023     -6.481015      8.044234
  H      -0.364342     -6.562294      9.359372
  H       1.054460     -5.511369      9.512370
  H       1.167412     -4.229668      6.786215
  H       1.278947     -3.399492      8.351365
  H       0.088269     -2.859463      7.138590
  H      -0.587806     -5.651628      6.224839
  H      -1.634165     -4.249254      6.421059
  H      -3.659673     -5.632751      8.764789
  H      -3.925359     -4.454157      7.471270
  H      -4.668640     -6.069952      7.368158
  H      -3.075649     -8.165214      7.418681
  H      -1.309611     -7.905832      7.279973
  H      -2.191532     -7.312433      8.693393
  N      -3.800225     -3.502898      5.356182
  N      -3.701663     -2.586738      6.202380
  H      -3.766050     -1.649122      5.769057
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624725220966
  N      -2.840966     -4.084523      2.680586
  C      -2.719695     -4.931040      1.489868
  C      -2.597647     -6.385883      1.887710
  N      -3.634751     -6.731671      2.875243
  C      -4.973663     -6.898512      2.278148
  C      -6.020686     -6.568862      3.323636
  N      -5.753443     -5.261436      3.948778
  Mo     -3.796687     -4.920126      4.263763
  N      -2.927643     -6.274678      5.489196
  C      -2.301342     -7.405360      4.798966
  C      -3.229788     -7.886656      3.701945
  H      -2.125835     -8.255585      5.471517
  H      -1.308762     -7.141400      4.379253
  H      -4.133546     -8.306329      4.164370
  H      -2.763975     -8.667612      3.072822
  H      -7.003021     -6.585948      2.826098
  H      -6.053068     -7.372661      4.084789
  H      -5.059858     -6.193757      1.440849
  H      -5.102340     -7.923175      1.882546
  H      -1.819499     -4.699559      0.902553
  H      -3.577377     -4.798233      0.797079
  H      -1.622768     -6.539245      2.372151
  H      -2.656034     -7.051826      1.006035
  C      -0.387661      1.353850      0.866021
  C      -0.816984      0.006505      1.451117
  C      -1.610148     -0.922390      0.505996
  C      -2.921886     -0.249059      0.060025
  C      -0.781789     -1.188106     -0.768865
  C      -1.857884     -2.346816      1.105723
  C      -2.424834     -2.623948      2.530759
  C      -1.335913     -2.387129      3.591151
  C      -3.644948     -1.730600      2.785247
  C      -6.304843     -2.953746      0.018505
  C      -6.620624     -3.800035      1.251817
  C      -7.816595     -3.338879      2.114933
  C      -7.636517     -1.879389      2.565682
  C      -9.110628     -3.408123      1.279757
  C      -8.046714     -4.310964      3.306977
  C      -7.009153     -4.618809      4.438138
  C      -7.721594     -5.590561      5.410832
  C      -6.696617     -3.359380      5.241224
  C      -0.619961     -3.288429     10.332141
  C      -1.356869     -4.005179      9.198583
  C      -0.469120     -4.720596      8.154694
  C       0.303804     -5.880877      8.802281
  C       0.565569     -3.728304      7.585061
  C      -1.301794     -5.167613      6.919424
  C      -2.550530     -6.100815      6.936973
  C      -3.771095     -5.522059      7.675973
  C      -2.250904     -7.455751      7.604637
  H      -1.249317      1.943948      0.521969
  H       0.133020      1.949405      1.630040
  H       0.300024      1.237872      0.016322
  H       0.078810     -0.534454      1.798270
  H      -1.426774      0.200110      2.346866
  H      -3.543374     -0.955325     -0.511289
  H      -3.518014      0.116947      0.904824
  H      -2.710900      0.608478     -0.594608
  H       0.209483     -1.596976     -0.519552
  H      -0.637020     -0.270136     -1.354830
  H      -1.295882     -1.916657     -1.414844
  H      -2.529342     -2.823731      0.376035
  H      -0.893851     -2.877953      1.035834
  H      -1.051140     -1.330751      3.667317
  H      -0.436975     -2.968490      3.337722
  H      -1.685726     -2.717870      4.575352
  H      -4.150769     -2.035301      3.705015
  H      -3.352598     -0.676524      2.883956
  H      -4.366438     -1.812455      1.963096
  H      -5.438724     -3.372913     -0.516123
  H      -7.142861     -2.916939     -0.692629
  H      -6.048397     -1.918536      0.286934
  H      -5.730228     -3.850000      1.893931
  H      -6.821774     -4.836603      0.927997
  H      -7.737258     -1.198013      1.708791
  H      -8.406394     -1.602536      3.301239
  H      -6.654629     -1.698946      3.018954
  H      -9.980886     -3.115087      1.887037
  H      -9.287149     -4.428826      0.905427
  H      -9.066008     -2.730069      0.415681
  H      -8.361401     -5.270645      2.863664
  H      -8.942725     -3.946334      3.838484
  H      -7.020117     -5.904851      6.197442
  H      -8.099931     -6.487697      4.900991
  H      -8.577447     -5.092650      5.889319
  H      -7.635669     -2.846203      5.492969
  H      -6.177189     -3.612171      6.173467
  H      -6.059375     -2.663689      4.688785
  H       0.039342     -3.969671     10.890660
  H      -0.005350     -2.455448      9.962663
  H      -1.341082     -2.869702     11.049321
  H      -1.997394     -3.282830      8.665689
  H      -2.037884     -4.746391      9.643888
  H       0.838145     -6.467827      8.039305
  H      -0.356361     -6.563173      9.353338
  H       1.055058     -5.502712      9.511376
  H       1.156214     -4.206456      6.788382
  H       1.266610     -3.387214      8.359591
  H       0.069912     -2.844539      7.153501
  H      -0.586733     -5.645009      6.225402
  H      -1.638527     -4.246421      6.422292
  H      -3.658626     -5.636173      8.761809
  H      -3.931383     -4.461108      7.466822
  H      -4.667119     -6.080424      7.367415
  H      -3.067757     -8.168632      7.412472
  H      -1.302438     -7.902634      7.278348
  H      -2.189946     -7.314151      8.690246
  N      -3.793226     -3.502141      5.348784
  N      -3.692820     -2.584346      6.193145
  H      -3.755502     -1.646710      5.757935
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624733562570
  N      -2.843781     -4.084071      2.682868
  C      -2.722941     -4.930242      1.491912
  C      -2.600167     -6.385105      1.889473
  N      -3.637143     -6.731418      2.876922
  C      -4.975937     -6.898146      2.279482
  C      -6.023254     -6.568982      3.324737
  N      -5.756299     -5.261847      3.950500
  Mo     -3.799681     -4.919939      4.265774
  N      -2.930183     -6.274408      5.490963
  C      -2.303802     -7.405101      4.800756
  C      -3.232074     -7.886480      3.703538
  H      -2.128298     -8.255327      5.473338
  H      -1.311201     -7.141034      4.381139
  H      -4.135791     -8.306414      4.165855
  H      -2.766057     -8.667297      3.074341
  H      -7.005422     -6.585802      2.826734
  H      -6.055901     -7.373147      4.085515
  H      -5.061892     -6.193079      1.442368
  H      -5.104520     -7.922718      1.883557
  H      -1.823143     -4.698259      0.904164
  H      -3.581132     -4.797545      0.799678
  H      -1.625175     -6.538170      2.373810
  H      -2.658409     -7.050882      1.007662
  C      -0.391469      1.353407      0.868793
  C      -0.819511      0.004879      1.452334
  C      -1.617479     -0.920952      0.508382
  C      -2.930297     -0.245069      0.069289
  C      -0.794637     -1.185209     -0.770294
  C      -1.864823     -2.346025      1.106630
  C      -2.427050     -2.623762      2.533185
  C      -1.333896     -2.388710      3.589570
  C      -3.645456     -1.729467      2.792361
  C      -6.285465     -2.961467      0.021032
  C      -6.609668     -3.805231      1.253975
  C      -7.809204     -3.340478      2.110261
  C      -7.628579     -1.880752      2.560118
  C      -9.099354     -3.408751      1.269124
  C      -8.046224     -4.310351      3.302684
  C      -7.012580     -4.618470      4.437165
  C      -7.728125     -5.589351      5.408422
  C      -6.701187     -3.358881      5.240257
  C      -0.611679     -3.287825     10.328827
  C      -1.351471     -4.005628      9.197882
  C      -0.466393     -4.721956      8.152346
  C       0.306951     -5.882750      8.798467
  C       0.567890     -3.730492      7.580580
  C      -1.301528     -5.168524      6.918584
  C      -2.552090     -6.099293      6.938250
  C      -3.771286     -5.516503      7.676312
  C      -2.255102     -7.453685      7.608131
  H      -1.253992      1.945212      0.529742
  H       0.132865      1.946512      1.632098
  H       0.292618      1.239041      0.016088
  H       0.077249     -0.537747      1.794505
  H      -1.425510      0.196691      2.350999
  H      -3.555055     -0.949370     -0.500831
  H      -3.522493      0.119838      0.917347
  H      -2.721028      0.613706     -0.584431
  H       0.197142     -1.595889     -0.525776
  H      -0.651080     -0.266228     -1.355136
  H      -1.312337     -1.911793     -1.415506
  H      -2.539687     -2.820952      0.378792
  H      -0.901807     -2.878526      1.032711
  H      -1.046464     -1.332835      3.663983
  H      -0.437210     -2.972282      3.333241
  H      -1.680966     -2.718095      4.575139
  H      -4.148156     -2.033887      3.714020
  H      -3.351724     -0.675569      2.890146
  H      -4.370159     -1.810415      1.972783
  H      -5.417269     -3.383135     -0.508172
  H      -7.119479     -2.924250     -0.694707
  H      -6.028509     -1.926295      0.289179
  H      -5.722789     -3.855872      1.900901
  H      -6.811073     -4.841965      0.930777
  H      -7.724233     -1.199556      1.701942
  H      -8.401285     -1.601855      3.291941
  H      -6.648509     -1.701574      3.017715
  H      -9.971942     -3.113219      1.871816
  H      -9.275932     -4.429730      0.895669
  H      -9.049438     -2.732207      0.404147
  H      -8.360915     -5.270129      2.859587
  H      -8.943397     -3.943294      3.830513
  H      -7.029204     -5.902818      6.197712
  H      -8.104646     -6.487042      4.898300
  H      -8.585684     -5.091162      5.883513
  H      -7.640532     -2.845116      5.489651
  H      -6.183976     -3.611478      6.173668
  H      -6.062388     -2.663835      4.688889
  H       0.048670     -3.968565     10.886681
  H       0.002335     -2.455535      9.956865
  H      -1.331010     -2.867943     11.047121
  H      -1.993180     -3.283698      8.665976
  H      -2.031276     -4.746499      9.645614
  H       0.841032     -6.468673      8.034487
  H      -0.352670     -6.565910      9.349033
  H       1.058486     -5.505265      9.507651
  H       1.155371     -4.208443      6.781506
  H       1.271825     -3.391110      8.353313
  H       0.071997     -2.845807      7.151729
  H      -0.588293     -5.647668      6.223953
  H      -1.637116     -4.247105      6.421176
  H      -3.658650     -5.627672      8.762466
  H      -3.929862     -4.455836      7.464177
  H      -4.668384     -6.074334      7.369602
  H      -3.073871     -8.164974      7.418118
  H      -1.308001     -7.903518      7.281890
  H      -2.192862     -7.310000      8.693440
  N      -3.797293     -3.502428      5.351351
  N      -3.697381     -2.585219      6.196348
  H      -3.759393     -1.647535      5.761744
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624735234625
  N      -2.843781     -4.080987      2.683201
  C      -2.722712     -4.927125      1.492388
  C      -2.599045     -6.381766      1.890018
  N      -3.636155     -6.728450      2.877098
  C      -4.974831     -6.895097      2.279292
  C      -6.022487     -6.566383      3.324349
  N      -5.756468     -5.259301      3.950631
  Mo     -3.799972     -4.916651      4.266195
  N      -2.930080     -6.271541      5.490946
  C      -2.302730     -7.401641      4.800794
  C      -3.230696     -7.883509      3.703487
  H      -2.127068     -8.251879      5.473483
  H      -1.310139     -7.136952      4.381502
  H      -4.134207     -8.304056      4.165743
  H      -2.764203     -8.664003      3.074145
  H      -7.004584     -6.583442      2.825988
  H      -6.054954     -7.370832      4.084882
  H      -5.060440     -6.189893      1.442245
  H      -5.103338     -7.919694      1.883287
  H      -1.823240     -4.694302      0.904343
  H      -3.581289     -4.795035      0.800508
  H      -1.624063     -6.534247      2.374628
  H      -2.656779     -7.047583      1.008202
  C      -0.382699      1.348029      0.864382
  C      -0.812017     -0.000145      1.448275
  C      -1.612027     -0.924848      0.505212
  C      -2.924013     -0.246680      0.066652
  C      -0.790377     -1.191861     -0.773529
  C      -1.862154     -2.348586      1.105402
  C      -2.425169     -2.621619      2.532084
  C      -1.331271     -2.386225      3.587619
  C      -3.642100     -1.724421      2.787733
  C      -6.292670     -2.955936      0.022200
  C      -6.613247     -3.801235      1.255196
  C      -7.814997     -3.341919      2.111143
  C      -7.640900     -1.881444      2.560944
  C      -9.104339     -3.415587      1.269528
  C      -8.048699     -4.312727      3.303702
  C      -7.013834     -4.618264      4.437852
  C      -7.726548     -5.591000      5.409200
  C      -6.705455     -3.358282      5.241107
  C      -0.611292     -3.297912     10.338425
  C      -1.352225     -4.014148      9.207395
  C      -0.467960     -4.720404      8.154330
  C       0.312542     -5.881883      8.790436
  C       0.560023     -3.721044      7.585024
  C      -1.304893     -5.163358      6.920559
  C      -2.552925     -6.097608      6.938488
  C      -3.773868     -5.519849      7.677660
  C      -2.252185     -7.452510      7.605441
  H      -1.244633      1.941193      0.525942
  H       0.142971      1.940225      1.627230
  H       0.300633      1.232936      0.011389
  H       0.084301     -0.544013      1.789964
  H      -1.417301      0.192265      2.347190
  H      -3.550706     -0.950187     -0.502206
  H      -3.514852      0.119971      0.914911
  H      -2.713685      0.611413     -0.587958
  H       0.200728     -1.604457     -0.529033
  H      -0.645227     -0.273595     -1.359449
  H      -1.309953     -1.917886     -1.417660
  H      -2.538139     -2.823466      0.378501
  H      -0.900286     -2.883495      1.032887
  H      -1.039279     -1.331091      3.657084
  H      -0.437104     -2.974900      3.334094
  H      -1.680069     -2.709666      4.574457
  H      -4.146021     -2.024993      3.709987
  H      -3.346367     -0.670548      2.882269
  H      -4.366503     -1.806498      1.967701
  H      -5.422125     -3.373180     -0.506496
  H      -7.126462     -2.923207     -0.693911
  H      -6.041176     -1.919376      0.290220
  H      -5.726402     -3.847376      1.902341
  H      -6.809686     -4.838967      0.932137
  H      -7.739283     -1.200673      1.702748
  H      -8.415083     -1.606071      3.292566
  H      -6.661896     -1.697875      3.018726
  H      -9.978378     -3.123321      1.871668
  H      -9.276695     -4.437379      0.896523
  H      -9.056607     -2.739249      0.404248
  H      -8.360444     -5.273538      2.860803
  H      -8.946928     -3.948473      3.831604
  H      -7.026841     -5.901386      6.199155
  H      -8.099411     -6.490430      4.899610
  H      -8.586321     -5.095751      5.883258
  H      -7.646084     -2.847280      5.491268
  H      -6.187018     -3.609809      6.173891
  H      -6.069014     -2.661347      4.689677
  H       0.054613     -3.977781     10.890627
  H      -0.002927     -2.461016      9.967629
  H      -1.329773     -2.884678     11.061402
  H      -2.000065     -3.293058      8.682070
  H      -2.025682     -4.761175      9.654480
  H       0.849589     -6.457877      8.020939
  H      -0.342314     -6.573931      9.335479
  H       1.062291     -5.506047      9.502426
  H       1.144879     -4.190371      6.779052
  H       1.266952     -3.385212      8.356732
  H       0.058727     -2.835107      7.166171
  H      -0.592091     -5.636878      6.221768
  H      -1.644153     -4.240479      6.428476
  H      -3.661008     -5.632045      8.763757
  H      -3.936007     -4.459472      7.467061
  H      -4.669128     -6.080502      7.370062
  H      -3.069661     -8.165277      7.415141
  H      -1.304456     -7.899750      7.277319
  H      -2.189042     -7.310360      8.691005
  N      -3.798268     -3.499827      5.352579
  N      -3.698217     -2.583603      6.198558
  H      -3.758793     -1.645803      5.765064
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624744153672
  N      -2.843574     -4.082467      2.683300
  C      -2.722056     -4.929257      1.492920
  C      -2.598845     -6.383783      1.891288
  N      -3.636196     -6.729840      2.878365
  C      -4.974688     -6.896961      2.280330
  C      -6.022706     -6.567728      3.324873
  N      -5.756903     -5.260343      3.950590
  Mo     -3.800467     -4.917147      4.266180
  N      -2.931052     -6.271025      5.492211
  C      -2.303375     -7.401512      4.802941
  C      -3.230946     -7.884285      3.705715
  H      -2.127509     -8.251182      5.476234
  H      -1.310799     -7.136839      4.383613
  H      -4.134573     -8.304530      4.167986
  H      -2.764225     -8.665201      3.077093
  H      -7.004592     -6.585096      2.826184
  H      -6.055384     -7.371781      4.085803
  H      -5.060109     -6.192247      1.442864
  H      -5.103001     -7.921767      1.884825
  H      -1.822243     -4.696981      0.905242
  H      -3.580227     -4.797304      0.800529
  H      -1.623984     -6.536287      2.376104
  H      -2.656572     -7.050000      1.009773
  C      -0.386223      1.348875      0.861640
  C      -0.814662      0.001027      1.446808
  C      -1.613801     -0.925213      0.504454
  C      -2.926178     -0.248491      0.064936
  C      -0.791642     -1.192304     -0.773966
  C      -1.862543     -2.349016      1.105260
  C      -2.425136     -2.622979      2.532146
  C      -1.331112     -2.387991      3.587617
  C      -3.642269     -1.726427      2.789213
  C      -6.290184     -2.955475      0.020808
  C      -6.611767     -3.800936      1.253390
  C      -7.812434     -3.339962      2.109989
  C      -7.635501     -1.880048      2.560540
  C      -9.102125     -3.410727      1.268577
  C      -8.047836     -4.310967      3.302057
  C      -7.014031     -4.618200      4.436800
  C      -7.728800     -5.590083      5.407446
  C      -6.704521     -3.358701      5.240484
  C      -0.610224     -3.306894     10.344534
  C      -1.351630     -4.022778      9.213491
  C      -0.467573     -4.719895      8.154204
  C       0.320201     -5.881050      8.781890
  C       0.553899     -3.712996      7.586382
  C      -1.306412     -5.160890      6.920989
  C      -2.554004     -6.095665      6.939626
  C      -3.775187     -5.517302      7.677826
  C      -2.252927     -7.449442      7.608662
  H      -1.248538      1.940973      0.522386
  H       0.138813      1.942314      1.624026
  H       0.297384      1.233378      0.008858
  H       0.082023     -0.541821      1.789073
  H      -1.420146      0.193972      2.345497
  H      -3.552197     -0.953009     -0.503446
  H      -3.517440      0.118570      0.912685
  H      -2.716301      0.609061     -0.590436
  H       0.199811     -1.603716     -0.529024
  H      -0.647291     -0.274314     -1.360418
  H      -1.310349     -1.919307     -1.417751
  H      -2.538026     -2.824635      0.378402
  H      -0.900140     -2.882908      1.032578
  H      -1.036962     -1.333412      3.655302
  H      -0.438136     -2.979007      3.335411
  H      -1.680675     -2.708960      4.575020
  H      -4.145840     -2.028369      3.711233
  H      -3.346823     -0.672669      2.885153
  H      -4.366876     -1.807589      1.969354
  H      -5.420703     -3.374064     -0.508618
  H      -7.124289     -2.920634     -0.694878
  H      -6.036540     -1.919589      0.289406
  H      -5.724736     -3.849113      1.900148
  H      -6.810217     -4.838091      0.929744
  H      -7.732855     -1.198814      1.702751
  H      -8.408937     -1.603564      3.292526
  H      -6.655960     -1.698565      3.018132
  H      -9.975504     -3.117430      1.871185
  H      -9.276338     -4.431913      0.894725
  H      -9.053429     -2.733724      0.403876
  H      -8.360705     -5.271177      2.858647
  H      -8.945796     -3.945648      3.829679
  H      -7.031188     -5.900079      6.199361
  H      -8.100728     -6.489863      4.897758
  H      -8.589588     -5.094322      5.879181
  H      -7.644662     -2.846770      5.490635
  H      -6.186511     -3.611062      6.173345
  H      -6.067202     -2.662230      4.689387
  H       0.061444     -3.985313     10.891530
  H      -0.007766     -2.465382      9.974538
  H      -1.328099     -2.900340     11.071879
  H      -2.005009     -3.303000      8.693277
  H      -2.019530     -4.775086      9.660218
  H       0.859060     -6.449404      8.007974
  H      -0.330014     -6.580057      9.323625
  H       1.069180     -5.505591      9.494885
  H       1.135383     -4.174499      6.773471
  H       1.264133     -3.380605      8.356505
  H       0.047080     -2.825618      7.177116
  H      -0.594474     -5.632982      6.220326
  H      -1.646976     -4.237456      6.430904
  H      -3.661049     -5.625236      8.764169
  H      -3.939070     -4.457945      7.463454
  H      -4.669858     -6.080422      7.373217
  H      -3.070215     -8.162735      7.419617
  H      -1.305094     -7.896957      7.281283
  H      -2.189846     -7.305346      8.694004
  N      -3.799350     -3.499519      5.351416
  N      -3.699784     -2.582846      6.197008
  H      -3.758338     -1.645029      5.762875
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624812398032
  N      -2.850493     -4.088181      2.682246
  C      -2.728871     -4.939615      1.494632
  C      -2.608674     -6.393266      1.897849
  N      -3.645681     -6.734481      2.887054
  C      -4.984373     -6.904284      2.290363
  C      -6.032609     -6.571781      3.333739
  N      -5.767104     -5.262860      3.955994
  Mo     -3.810196     -4.915002      4.266290
  N      -2.941677     -6.262343      5.499009
  C      -2.312376     -7.394908      4.814415
  C      -3.239783     -7.884567      3.720132
  H      -2.133054     -8.240512      5.491583
  H      -1.321050     -7.129640      4.392541
  H      -4.142960     -8.303035      4.184711
  H      -2.772726     -8.668293      3.095402
  H      -7.014086     -6.590619      2.834488
  H      -6.065395     -7.373693      4.096879
  H      -5.070091     -6.202570      1.450417
  H      -5.112596     -7.930412      1.898335
  H      -1.827939     -4.711479      0.907500
  H      -3.585809     -4.808245      0.800718
  H      -1.633690     -6.546384      2.382032
  H      -2.668557     -7.062189      1.018518
  C      -0.379464      1.343601      0.853716
  C      -0.811139     -0.000759      1.443995
  C      -1.606478     -0.931513      0.502668
  C      -2.916344     -0.256498      0.053696
  C      -0.778231     -1.202832     -0.771073
  C      -1.856756     -2.354379      1.106022
  C      -2.426000     -2.629847      2.531096
  C      -1.335778     -2.401194      3.591627
  C      -3.641013     -1.730327      2.787843
  C      -6.280785     -2.976993      0.008715
  C      -6.609566     -3.814356      1.244751
  C      -7.803117     -3.336164      2.102104
  C      -7.606664     -1.877652      2.549746
  C      -9.094888     -3.392172      1.262311
  C      -8.050133     -4.301153      3.296599
  C      -7.022514     -4.613661      4.435859
  C      -7.748708     -5.577804      5.405284
  C      -6.706979     -3.354485      5.238170
  C      -0.601802     -3.402565     10.403812
  C      -1.345699     -4.115709      9.272054
  C      -0.467154     -4.703689      8.144348
  C       0.406576     -5.851852      8.674703
  C       0.473756     -3.610493      7.596735
  C      -1.327305     -5.126077      6.919071
  C      -2.562220     -6.077237      6.944489
  C      -3.787888     -5.507057      7.680811
  C      -2.244779     -7.421549      7.624375
  H      -1.239954      1.933945      0.507249
  H       0.142214      1.941141      1.615494
  H       0.307989      1.223075      0.004453
  H       0.084032     -0.542101      1.792175
  H      -1.419917      0.197544      2.339430
  H      -3.540277     -0.963500     -0.513993
  H      -3.510902      0.115562      0.896831
  H      -2.702728      0.597175     -0.605082
  H       0.212496     -1.612040     -0.520177
  H      -0.632266     -0.287056     -1.360116
  H      -1.293095     -1.933038     -1.414585
  H      -2.527820     -2.831282      0.376121
  H      -0.893403     -2.886975      1.037846
  H      -1.017448     -1.353088      3.642497
  H      -0.455420     -3.017941      3.357864
  H      -1.699133     -2.696029      4.582504
  H      -4.150294     -2.036282      3.705453
  H      -3.342027     -0.678639      2.892570
  H      -4.361947     -1.802856      1.964339
  H      -5.418700     -3.408807     -0.522373
  H      -7.116815     -2.933058     -0.704429
  H      -6.012416     -1.943822      0.273449
  H      -5.721556     -3.871190      1.889634
  H      -6.821229     -4.850069      0.924924
  H      -7.697658     -1.196135      1.690995
  H      -8.374403     -1.590189      3.283458
  H      -6.623465     -1.708025      3.004640
  H      -9.963759     -3.087839      1.866012
  H      -9.281957     -4.411476      0.889335
  H      -9.039233     -2.716336      0.397170
  H      -8.370475     -5.260004      2.855460
  H      -8.945957     -3.925569      3.820528
  H      -7.065778     -5.878333      6.213236
  H      -8.109772     -6.484044      4.899164
  H      -8.619212     -5.080009      5.856997
  H      -7.644638     -2.838008      5.488634
  H      -6.189430     -3.608506      6.171132
  H      -6.066636     -2.661192      4.686236
  H       0.134756     -4.058840     10.891000
  H      -0.070399     -2.509068     10.047185
  H      -1.311034     -3.075239     11.178044
  H      -2.063465     -3.416640      8.812559
  H      -1.944738     -4.929291      9.710395
  H       0.963039     -6.328148      7.852389
  H      -0.184555     -6.629068      9.176101
  H       1.146628     -5.479048      9.398390
  H       1.018754     -3.981251      6.715028
  H       1.217165     -3.305452      8.346486
  H      -0.096943     -2.719447      7.292064
  H      -0.624079     -5.571429      6.192571
  H      -1.692003     -4.197318      6.457691
  H      -3.659323     -5.581442      8.767980
  H      -3.976536     -4.457773      7.438960
  H      -4.673167     -6.097513      7.402394
  H      -3.055984     -8.144698      7.447335
  H      -1.294308     -7.863087      7.297051
  H      -2.178230     -7.264265      8.708054
  N      -3.809436     -3.492266      5.343954
  N      -3.710740     -2.573210      6.187334
  H      -3.741985     -1.635296      5.748535
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624736581796
  N      -2.854018     -4.094690      2.680785
  C      -2.731717     -4.950547      1.496116
  C      -2.613114     -6.402910      1.904816
  N      -3.650988     -6.739969      2.894495
  C      -4.988458     -6.914000      2.296504
  C      -6.039111     -6.578456      3.336421
  N      -5.776570     -5.267286      3.954892
  Mo     -3.820364     -4.913259      4.264400
  N      -2.953385     -6.252830      5.505752
  C      -2.320093     -7.387076      4.827479
  C      -3.244749     -7.884955      3.734498
  H      -2.138061     -8.228301      5.509256
  H      -1.329377     -7.120496      4.404942
  H      -4.147917     -8.302540      4.199791
  H      -2.775232     -8.671163      3.114812
  H      -7.019411     -6.600239      2.835057
  H      -6.072409     -7.377756      4.102297
  H      -5.073296     -6.216008      1.453439
  H      -5.114945     -7.941921      1.908602
  H      -1.829749     -4.725592      0.909648
  H      -3.587520     -4.820721      0.800614
  H      -1.638569     -6.555079      2.390052
  H      -2.672955     -7.074985      1.027885
  C      -0.354589      1.324780      0.843275
  C      -0.793209     -0.015561      1.437434
  C      -1.591413     -0.945850      0.498042
  C      -2.897598     -0.266533      0.045083
  C      -0.762463     -1.223926     -0.773855
  C      -1.848214     -2.366556      1.104092
  C      -2.421551     -2.638695      2.528556
  C      -1.331694     -2.415750      3.590571
  C      -3.632316     -1.733171      2.783979
  C      -6.279401     -2.960105      0.013118
  C      -6.610470     -3.803998      1.244054
  C      -7.805452     -3.329647      2.101373
  C      -7.608421     -1.873274      2.555413
  C      -9.095604     -3.380643      1.258646
  C      -8.056416     -4.299703      3.291095
  C      -7.032786     -4.618264      4.432559
  C      -7.764145     -5.584015      5.396188
  C      -6.717602     -3.362455      5.240395
  C      -0.590560     -3.497098     10.458470
  C      -1.337482     -4.197902      9.320687
  C      -0.472952     -4.676776      8.132159
  C       0.477640     -5.803488      8.567666
  C       0.388050     -3.507443      7.611243
  C      -1.352997     -5.084295      6.915826
  C      -2.571940     -6.055723      6.948790
  C      -3.804043     -5.497083      7.682930
  C      -2.233002     -7.389617      7.638486
  H      -1.211811      1.917857      0.493528
  H       0.168739      1.922538      1.603854
  H       0.333480      1.198150     -0.004692
  H       0.099219     -0.559700      1.788184
  H      -1.402041      0.188664      2.331574
  H      -3.524289     -0.972750     -0.520612
  H      -3.491196      0.111565      0.886157
  H      -2.679203      0.583519     -0.616634
  H       0.226575     -1.635618     -0.520574
  H      -0.612791     -0.310433     -1.365310
  H      -1.278923     -1.954387     -1.415885
  H      -2.519532     -2.841779      0.373445
  H      -0.886798     -2.902929      1.038432
  H      -0.993357     -1.373508      3.627774
  H      -0.462907     -3.053164      3.369669
  H      -1.703068     -2.689903      4.584419
  H      -4.145299     -2.037124      3.700375
  H      -3.327978     -0.683248      2.890512
  H      -4.352136     -1.800668      1.959120
  H      -5.417567     -3.390167     -0.519877
  H      -7.114856     -2.910726     -0.700421
  H      -6.009701     -1.928891      0.284074
  H      -5.723656     -3.863892      1.890371
  H      -6.821649     -4.838011      0.918567
  H      -7.697520     -1.189411      1.699564
  H      -8.376841     -1.587961      3.289209
  H      -6.625499     -1.706440      3.012087
  H      -9.965430     -3.078899      1.862269
  H      -9.282551     -4.397925      0.880059
  H      -9.037882     -2.700344      0.397187
  H      -8.376458     -5.256467      2.845151
  H      -8.953284     -3.925061      3.813790
  H      -7.089489     -5.880121      6.212701
  H      -8.115414     -6.493138      4.888291
  H      -8.642230     -5.089718      5.837112
  H      -7.655336     -2.846957      5.492781
  H      -6.200557     -3.620676      6.172572
  H      -6.076735     -2.666715      4.692186
  H       0.201276     -4.131300     10.884246
  H      -0.125720     -2.558140     10.126704
  H      -1.285634     -3.249604     11.274051
  H      -2.111593     -3.520549      8.924891
  H      -1.869877     -5.066784      9.739406
  H       1.044780     -6.185935      7.704477
  H      -0.055426     -6.649147      9.021206
  H       1.208915     -5.437563      9.303773
  H       0.897057     -3.794065      6.678184
  H       1.158286     -3.217490      8.339586
  H      -0.238471     -2.627147      7.398715
  H      -0.658488     -5.501131      6.164529
  H      -1.743575     -4.152611      6.483070
  H      -3.664241     -5.539083      8.770195
  H      -4.019034     -4.459151      7.415008
  H      -4.677509     -6.115100      7.428192
  H      -3.037438     -8.123887      7.477215
  H      -1.280796     -7.823749      7.306622
  H      -2.158094     -7.219369      8.720056
  N      -3.824358     -3.485710      5.335059
  N      -3.730779     -2.564448      6.176742
  H      -3.721112     -1.627597      5.733180
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624898659447
  N      -2.852154     -4.089554      2.679886
  C      -2.729760     -4.943061      1.493957
  C      -2.609115     -6.395752      1.900182
  N      -3.647220     -6.735354      2.888576
  C      -4.984555     -6.907367      2.289630
  C      -6.034981     -6.573814      3.330251
  N      -5.772038     -5.263819      3.951180
  Mo     -3.816175     -4.912564      4.263610
  N      -2.947042     -6.255886      5.500478
  C      -2.316301     -7.389810      4.819544
  C      -3.241803     -7.883080      3.725193
  H      -2.137100     -8.233523      5.499317
  H      -1.324562     -7.124822      4.398239
  H      -4.145370     -8.301071      4.189497
  H      -2.773201     -8.668031      3.103127
  H      -7.015580     -6.594277      2.829191
  H      -6.068498     -7.374642      4.094568
  H      -5.069021     -6.207397      1.448149
  H      -5.111352     -7.934445      1.899512
  H      -1.828485     -4.715664      0.907093
  H      -3.586307     -4.813305      0.799251
  H      -1.634636     -6.547265      2.385906
  H      -2.667585     -7.066525      1.022164
  C      -0.348814      1.323067      0.847927
  C      -0.788105     -0.018891      1.438407
  C      -1.589203     -0.945048      0.497617
  C      -2.895459     -0.262589      0.049223
  C      -0.763200     -1.222387     -0.776246
  C      -1.848519     -2.365396      1.102553
  C      -2.421018     -2.633697      2.527148
  C      -1.330502     -2.406987      3.587866
  C      -3.632163     -1.727606      2.778502
  C      -6.290479     -2.946237      0.022508
  C      -6.615626     -3.795162      1.251729
  C      -7.816502     -3.333810      2.107687
  C      -7.634881     -1.875923      2.562791
  C      -9.104928     -3.397295      1.263538
  C      -8.058412     -4.307616      3.296318
  C      -7.029825     -4.620966      4.434312
  C      -7.751266     -5.593263      5.399237
  C      -6.720453     -3.364615      5.243130
  C      -0.601089     -3.454831     10.438114
  C      -1.347900     -4.142824      9.292985
  C      -0.474098     -4.679651      8.136217
  C       0.431969     -5.820799      8.625389
  C       0.433605     -3.552799      7.601911
  C      -1.340753     -5.096819      6.913632
  C      -2.563749     -6.063533      6.943735
  C      -3.793559     -5.504747      7.682347
  C      -2.227265     -7.402555      7.625055
  H      -1.205907      1.918828      0.502105
  H       0.177024      1.917208      1.609357
  H       0.337324      1.198596     -0.001679
  H       0.104085     -0.565493      1.786310
  H      -1.395452      0.182812      2.334009
  H      -3.524038     -0.966410     -0.517278
  H      -3.487256      0.113423      0.892618
  H      -2.677496      0.589499     -0.610387
  H       0.225214     -1.637446     -0.525505
  H      -0.612062     -0.307867     -1.366117
  H      -1.282840     -1.949854     -1.418883
  H      -2.522126     -2.839280      0.373007
  H      -0.888512     -2.904410      1.036592
  H      -1.003718     -1.361086      3.632968
  H      -0.455078     -3.032787      3.359709
  H      -1.697481     -2.693403      4.579622
  H      -4.143744     -2.025987      3.697512
  H      -3.328626     -0.676470      2.877338
  H      -4.353005     -1.801550      1.954715
  H      -5.422284     -3.365911     -0.508271
  H      -7.124205     -2.905609     -0.693407
  H      -6.033268     -1.912319      0.295219
  H      -5.729608     -3.846870      1.899743
  H      -6.815781     -4.830845      0.924532
  H      -7.729542     -1.192670      1.707245
  H      -8.407390     -1.598854      3.295477
  H      -6.654580     -1.699334      3.020903
  H      -9.978400     -3.103576      1.865803
  H      -9.281733     -4.416479      0.885358
  H      -9.052546     -2.716997      0.401697
  H      -8.372378     -5.265922      2.849416
  H      -8.957066     -3.940678      3.821482
  H      -7.063638     -5.896456      6.202391
  H      -8.110977     -6.497506      4.888618
  H      -8.621727     -5.100995      5.856828
  H      -7.660622     -2.853586      5.495290
  H      -6.202891     -3.621038      6.175258
  H      -6.082640     -2.665761      4.695704
  H       0.153431     -4.113918     10.892910
  H      -0.090169     -2.540598     10.104972
  H      -1.305304     -3.166362     11.232145
  H      -2.085303     -3.442077      8.868163
  H      -1.925294     -4.981966      9.711790
  H       0.996823     -6.253339      7.784796
  H      -0.136295     -6.630113      9.101895
  H       1.165105     -5.452988      9.358711
  H       0.974111     -3.890984      6.704444
  H       1.180915     -3.247498      8.347807
  H      -0.161831     -2.669222      7.324404
  H      -0.639962     -5.525525      6.175048
  H      -1.721194     -4.167742      6.466480
  H      -3.658787     -5.565580      8.769682
  H      -3.998821     -4.460945      7.429872
  H      -4.671440     -6.111008      7.414069
  H      -3.035877     -8.132369      7.463924
  H      -1.279006     -7.839339      7.285123
  H      -2.144965     -7.239806      8.707053
  N      -3.820452     -3.488305      5.339292
  N      -3.726525     -2.569036      6.182955
  H      -3.729590     -1.631752      5.741975
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624917136132
  N      -2.861121     -4.083373      2.687206
  C      -2.739803     -4.934382      1.499566
  C      -2.620200     -6.388046      1.902297
  N      -3.658606     -6.728588      2.889978
  C      -4.996672     -6.895914      2.290981
  C      -6.046169     -6.563667      3.332916
  N      -5.779481     -5.256500      3.958166
  Mo     -3.823031     -4.910030      4.270719
  N      -2.951617     -6.258154      5.501823
  C      -2.326948     -7.393167      4.817199
  C      -3.255545     -7.879859      3.722659
  H      -2.151438     -8.239715      5.494551
  H      -1.334100     -7.131861      4.395928
  H      -4.159867     -8.296407      4.186920
  H      -2.790213     -8.664493      3.097700
  H      -7.026801     -6.579372      2.831470
  H      -6.082322     -7.367142      4.094325
  H      -5.080055     -6.192859      1.451822
  H      -5.125761     -7.921455      1.897516
  H      -1.838867     -4.706160      0.912448
  H      -3.596842     -4.802637      0.805738
  H      -1.645730     -6.541574      2.387526
  H      -2.679584     -7.056757      1.022748
  C      -0.346455      1.326258      0.865676
  C      -0.790084     -0.014515      1.455978
  C      -1.580727     -0.944307      0.510247
  C      -2.883792     -0.264969      0.047667
  C      -0.742231     -1.223913     -0.754840
  C      -1.843928     -2.363238      1.116827
  C      -2.428553     -2.628074      2.536836
  C      -1.347421     -2.400263      3.606987
  C      -3.641635     -1.721164      2.775572
  C      -6.293715     -2.999046     -0.000562
  C      -6.622028     -3.828156      1.241462
  C      -7.814619     -3.343692      2.096638
  C      -7.615137     -1.883395      2.537036
  C      -9.106503     -3.401848      1.257612
  C      -8.063156     -4.302128      3.296408
  C      -7.036274     -4.608699      4.437356
  C      -7.759225     -5.572764      5.409697
  C      -6.725316     -3.346984      5.236783
  C      -0.578811     -3.475319     10.443080
  C      -1.334902     -4.148877      9.295684
  C      -0.470519     -4.669927      8.124759
  C       0.451893     -5.804986      8.597958
  C       0.421083     -3.532683      7.587143
  C      -1.345262     -5.089676      6.908308
  C      -2.559859     -6.067978      6.943384
  C      -3.790267     -5.523168      7.691791
  C      -2.208296     -7.407226      7.616096
  H      -1.200731      1.920356      0.509891
  H       0.171545      1.923013      1.630206
  H       0.347871      1.200009      0.023225
  H       0.099185     -0.559201      1.814558
  H      -1.406667      0.189146      2.344670
  H      -3.505800     -0.971346     -0.522744
  H      -3.484318      0.112150      0.884368
  H      -2.661080      0.585934     -0.612219
  H       0.244245     -1.637326     -0.493492
  H      -0.586422     -0.310579     -1.345640
  H      -1.254889     -1.953457     -1.400547
  H      -2.510843     -2.839929      0.382847
  H      -0.882935     -2.901735      1.061026
  H      -1.019466     -1.354730      3.653203
  H      -0.470956     -3.028290      3.388967
  H      -1.725180     -2.684062      4.595523
  H      -4.161302     -2.016890      3.690883
  H      -3.338743     -0.669631      2.873947
  H      -4.355540     -1.797335      1.945722
  H      -5.431269     -3.433808     -0.528428
  H      -7.129567     -2.960875     -0.714071
  H      -6.026292     -1.963772      0.256770
  H      -5.733655     -3.880637      1.886043
  H      -6.834103     -4.866000      0.928726
  H      -7.706946     -1.204137      1.675293
  H      -8.380725     -1.591733      3.271377
  H      -6.630793     -1.713359      2.988903
  H      -9.974574     -3.091289      1.859231
  H      -9.296266     -4.423135      0.891781
  H      -9.049142     -2.732155      0.387781
  H      -8.383373     -5.263378      2.860462
  H      -8.959370     -3.923556      3.817579
  H      -7.068071     -5.876583      6.209493
  H      -8.127379     -6.476623      4.904710
  H      -8.623754     -5.073152      5.870301
  H      -7.664777     -2.831924      5.483154
  H      -6.210118     -3.597213      6.171758
  H      -6.084939     -2.654011      4.685077
  H       0.181803     -4.138862     10.880756
  H      -0.073464     -2.554783     10.118715
  H      -1.276053     -3.200237     11.247924
  H      -2.079636     -3.444531      8.889610
  H      -1.905466     -4.995340      9.708334
  H       1.011377     -6.226788      7.748415
  H      -0.103849     -6.621789      9.075595
  H       1.189223     -5.434445      9.325639
  H       0.965787     -3.866618      6.690574
  H       1.165344     -3.214987      8.331096
  H      -0.185776     -2.657937      7.306111
  H      -0.647631     -5.507702      6.160818
  H      -1.737838     -4.161790      6.469613
  H      -3.649991     -5.587749      8.778282
  H      -4.005770     -4.480223      7.444492
  H      -4.664346     -6.135875      7.424982
  H      -3.015654     -8.140460      7.463663
  H      -1.262889     -7.838873      7.261899
  H      -2.112047     -7.248184      8.697471
  N      -3.824747     -3.489046      5.351082
  N      -3.728892     -2.572283      6.197241
  H      -3.726273     -1.634965      5.758514
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624953127565
  N      -2.860418     -4.088883      2.683835
  C      -2.736040     -4.942185      1.498240
  C      -2.617583     -6.395049      1.904182
  N      -3.658389     -6.733292      2.890029
  C      -4.994747     -6.901949      2.287827
  C      -6.046599     -6.568421      3.326797
  N      -5.781567     -5.260522      3.951270
  Mo     -3.825880     -4.912461      4.266910
  N      -2.954454     -6.256923      5.502420
  C      -2.331287     -7.395204      4.821723
  C      -3.258141     -7.882888      3.726284
  H      -2.159216     -8.240583      5.501371
  H      -1.336773     -7.137252      4.402112
  H      -4.163978     -8.297269      4.189526
  H      -2.792418     -8.669563      3.104228
  H      -7.026241     -6.585004      2.823537
  H      -6.084353     -7.370909      4.089180
  H      -5.076410     -6.200346      1.447339
  H      -5.122479     -7.928154      1.895677
  H      -1.833273     -4.715473      0.913324
  H      -3.590927     -4.811627      0.801557
  H      -1.644279     -6.547700      2.392022
  H      -2.674975     -7.065595      1.025913
  C      -0.327310      1.313028      0.873470
  C      -0.775264     -0.028507      1.458628
  C      -1.571820     -0.950965      0.510524
  C      -2.873043     -0.264397      0.053696
  C      -0.737369     -1.229711     -0.757485
  C      -1.840438     -2.370289      1.113000
  C      -2.425009     -2.634470      2.532854
  C      -1.342706     -2.407487      3.601841
  C      -3.635955     -1.724818      2.772001
  C      -6.297320     -2.966077      0.014271
  C      -6.623941     -3.807971      1.248044
  C      -7.823683     -3.339931      2.102129
  C      -7.637835     -1.880950      2.552195
  C      -9.112250     -3.403139      1.258306
  C      -8.067742     -4.308943      3.294197
  C      -7.040134     -4.618119      4.433659
  C      -7.760045     -5.590236      5.400288
  C      -6.734214     -3.359771      5.240384
  C      -0.575611     -3.479491     10.445575
  C      -1.333679     -4.147639      9.296189
  C      -0.472267     -4.657026      8.118177
  C       0.461809     -5.787039      8.581287
  C       0.407448     -3.511099      7.580238
  C      -1.350261     -5.079066      6.904682
  C      -2.561726     -6.061414      6.943361
  C      -3.793720     -5.518190      7.690284
  C      -2.205937     -7.396657      7.620987
  H      -1.179896      1.912207      0.522209
  H       0.194750      1.904236      1.639624
  H       0.364710      1.187734      0.028925
  H       0.112478     -0.578507      1.812771
  H      -1.388958      0.173729      2.349763
  H      -3.498999     -0.965849     -0.518560
  H      -3.470307      0.111387      0.893424
  H      -2.648362      0.588410     -0.602936
  H       0.247779     -1.648615     -0.500017
  H      -0.578736     -0.314878     -1.345075
  H      -1.254869     -1.954405     -1.404839
  H      -2.510047     -2.842294      0.378536
  H      -0.881790     -2.912797      1.055376
  H      -1.011367     -1.362846      3.645304
  H      -0.468485     -3.039101      3.385252
  H      -1.720984     -2.687611      4.591094
  H      -4.154780     -2.017977      3.688638
  H      -3.331033     -0.673680      2.868065
  H      -4.351302     -1.801183      1.943443
  H      -5.428862     -3.389125     -0.513307
  H      -7.130292     -2.929069     -0.702614
  H      -6.039838     -1.930758      0.281338
  H      -5.737880     -3.858121      1.896096
  H      -6.826089     -4.844988      0.926143
  H      -7.731747     -1.199243      1.694369
  H      -8.408600     -1.599524      3.285070
  H      -6.656512     -1.705692      3.008517
  H      -9.984836     -3.103812      1.859092
  H      -9.292339     -4.423468      0.884865
  H      -9.057590     -2.727041      0.393288
  H      -8.381720     -5.268704      2.850430
  H      -8.966800     -3.939772      3.817218
  H      -7.066264     -5.899014      6.195946
  H      -8.128240     -6.490746      4.889238
  H      -8.623926     -5.094952      5.866716
  H      -7.675701     -2.849214      5.488408
  H      -6.219486     -3.613358      6.174749
  H      -6.095523     -2.661587      4.693405
  H       0.189478     -4.143218     10.875073
  H      -0.075226     -2.554379     10.126291
  H      -1.270615     -3.213365     11.255337
  H      -2.083233     -3.443079      8.899191
  H      -1.899649     -4.999084      9.704982
  H       1.019477     -6.200724      7.726615
  H      -0.085359     -6.609789      9.058323
  H       1.200435     -5.414031      9.306246
  H       0.954136     -3.839666      6.682774
  H       1.149880     -3.186661      8.323047
  H      -0.207849     -2.642077      7.299773
  H      -0.653876     -5.494263      6.154410
  H      -1.747632     -4.152483      6.468057
  H      -3.652088     -5.575538      8.776916
  H      -4.014243     -4.477857      7.436544
  H      -4.665184     -6.136520      7.428154
  H      -3.012953     -8.131746      7.475725
  H      -1.261487     -7.829055      7.265104
  H      -2.105541     -7.232395      8.701223
  N      -3.831548     -3.489061      5.344219
  N      -3.739288     -2.570948      6.189376
  H      -3.735182     -1.633769      5.749520
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624959595617
  N      -2.860024     -4.088429      2.686650
  C      -2.734626     -4.941005      1.500820
  C      -2.616467     -6.394017      1.906457
  N      -3.658592     -6.732475      2.890853
  C      -4.993952     -6.901396      2.286532
  C      -6.047465     -6.568510      3.323949
  N      -5.783202     -5.261115      3.949908
  Mo     -3.828010     -4.912373      4.268101
  N      -2.955810     -6.256248      5.504094
  C      -2.333997     -7.395760      4.824334
  C      -3.259856     -7.882214      3.727596
  H      -2.164770     -8.241557      5.504263
  H      -1.338211     -7.139766      4.406446
  H      -4.166542     -8.296047      4.189628
  H      -2.793910     -8.669240      3.106157
  H      -7.026254     -6.584551      2.819114
  H      -6.086832     -7.371528      4.085680
  H      -5.074640     -6.199628      1.446102
  H      -5.120665     -7.927512      1.893850
  H      -1.831239     -4.713948      0.916850
  H      -3.588835     -4.810135      0.803356
  H      -1.643770     -6.546713      2.395472
  H      -2.672718     -7.064342      1.027950
  C      -0.328294      1.311330      0.864010
  C      -0.775722     -0.028141      1.454166
  C      -1.571207     -0.954750      0.509144
  C      -2.872599     -0.270683      0.049003
  C      -0.736102     -1.237124     -0.757596
  C      -1.839250     -2.372617      1.115662
  C      -2.423341     -2.634581      2.536205
  C      -1.340012     -2.408915      3.604465
  C      -3.633237     -1.723572      2.775826
  C      -6.294129     -2.959177      0.017562
  C      -6.622621     -3.803720      1.248999
  C      -7.823239     -3.337057      2.102676
  C      -7.637082     -1.879077      2.555747
  C      -9.110904     -3.397846      1.257266
  C      -8.068921     -4.308622      3.292327
  C      -7.042598     -4.620203      4.432317
  C      -7.763257     -5.594842      5.395934
  C      -6.738122     -3.363503      5.242171
  C      -0.576839     -3.491724     10.451582
  C      -1.333509     -4.156211      9.299085
  C      -0.472616     -4.653945      8.115984
  C       0.468682     -5.782535      8.568365
  C       0.399086     -3.500237      7.581715
  C      -1.352831     -5.073634      6.903740
  C      -2.561039     -6.059197      6.944366
  C      -3.792956     -5.518506      7.693297
  C      -2.199492     -7.391912      7.623138
  H      -1.181030      1.908532      0.509805
  H       0.192848      1.905941      1.628199
  H       0.364404      1.183180      0.020399
  H       0.112157     -0.576145      1.810918
  H      -1.390065      0.177268      2.344133
  H      -3.497597     -0.974650     -0.521254
  H      -3.470776      0.107654      0.886890
  H      -2.648084      0.579889     -0.610518
  H       0.249289     -1.654381     -0.498479
  H      -0.578047     -0.324142     -1.348148
  H      -1.252899     -1.964374     -1.402663
  H      -2.509070     -2.846483      0.382519
  H      -0.880679     -2.915369      1.058834
  H      -1.006074     -1.365176      3.646638
  H      -0.467532     -3.043087      3.388412
  H      -1.718341     -2.686948      4.594167
  H      -4.151695     -2.015401      3.693086
  H      -3.327229     -0.672722      2.870893
  H      -4.349426     -1.799682      1.948001
  H      -5.425059     -3.381262     -0.509839
  H      -7.126144     -2.920327     -0.700360
  H      -6.036776     -1.924517      0.287360
  H      -5.737397     -3.855526      1.898104
  H      -6.824668     -4.839955      0.924501
  H      -7.729531     -1.196321      1.699085
  H      -8.408521     -1.598416      3.288188
  H      -6.656103     -1.705329      3.013424
  H      -9.983965     -3.099131      1.857683
  H      -9.291233     -4.417334      0.881586
  H      -9.054854     -2.720062      0.393674
  H      -8.382438     -5.267313      2.845946
  H      -8.968603     -3.940589      3.815068
  H      -7.069648     -5.906573      6.190685
  H      -8.132148     -6.493453      4.882014
  H      -8.626720     -5.100267      5.863930
  H      -7.680134     -2.853904      5.490178
  H      -6.224395     -3.618847      6.176655
  H      -6.099073     -2.663847      4.697522
  H       0.191114     -4.154862     10.876836
  H      -0.080231     -2.562876     10.137240
  H      -1.272162     -3.232782     11.263389
  H      -2.086499     -3.452090      8.907920
  H      -1.895950     -5.012354      9.703380
  H       1.025048     -6.187573      7.708728
  H      -0.072871     -6.611298      9.041798
  H       1.208251     -5.410875      9.292964
  H       0.946117     -3.821151      6.681632
  H       1.141110     -3.174709      8.324443
  H      -0.221835     -2.633750      7.306511
  H      -0.657905     -5.484292      6.149620
  H      -1.754806     -4.146875      6.472004
  H      -3.647518     -5.570778      8.779679
  H      -4.018832     -4.480165      7.435927
  H      -4.662502     -6.141726      7.436630
  H      -3.005638     -8.129085      7.483833
  H      -1.255784     -7.823400      7.263975
  H      -2.094331     -7.224639      8.702566
  N      -3.836628     -3.488966      5.345463
  N      -3.747311     -2.570889      6.190908
  H      -3.741479     -1.633849      5.750949
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624967478155
  N      -2.861318     -4.091334      2.688572
  C      -2.734843     -4.944321      1.503145
  C      -2.618006     -6.397306      1.909405
  N      -3.661896     -6.734743      2.892263
  C      -4.996486     -6.903047      2.286034
  C      -6.051338     -6.569507      3.321905
  N      -5.786457     -5.262714      3.949065
  Mo     -3.831398     -4.914852      4.269079
  N      -2.958037     -6.258024      5.505466
  C      -2.339546     -7.400044      4.827141
  C      -3.265594     -7.884637      3.729850
  H      -2.174365     -8.246156      5.507789
  H      -1.342220     -7.147818      4.410507
  H      -4.173382     -8.296690      4.191303
  H      -2.800598     -8.672855      3.109199
  H      -7.029315     -6.584082      2.815529
  H      -6.093211     -7.372831      4.083152
  H      -5.075739     -6.201384      1.445381
  H      -5.123033     -7.929127      1.893232
  H      -1.830688     -4.718028      0.920137
  H      -3.588168     -4.813344      0.804608
  H      -1.646153     -6.550341      2.399986
  H      -2.673262     -7.067925      1.031056
  C      -0.325006      1.309552      0.877378
  C      -0.774421     -0.030693      1.464174
  C      -1.567994     -0.955466      0.515674
  C      -2.867954     -0.270139      0.053320
  C      -0.730033     -1.236428     -0.749486
  C      -1.838501     -2.373947      1.119485
  C      -2.425852     -2.637031      2.538507
  C      -1.345338     -2.409461      3.609132
  C      -3.637287     -1.727318      2.775303
  C      -6.294539     -2.963112      0.014044
  C      -6.624239     -3.806499      1.245929
  C      -7.822989     -3.336493      2.100509
  C      -7.631983     -1.879226      2.553875
  C      -9.111282     -3.392969      1.255736
  C      -8.071002     -4.307874      3.289864
  C      -7.045939     -4.621149      4.430582
  C      -7.768325     -5.595670      5.393101
  C      -6.741259     -3.364999      5.241185
  C      -0.569533     -3.488282     10.445486
  C      -1.328225     -4.152806      9.294376
  C      -0.470588     -4.648416      8.108327
  C       0.475953     -5.774683      8.556070
  C       0.395898     -3.492272      7.571004
  C      -1.354865     -5.069681      6.899637
  C      -2.559798     -6.058902      6.944530
  C      -3.791444     -5.521112      7.696125
  C      -2.191924     -7.389275      7.623807
  H      -1.176591      1.907678      0.521999
  H       0.194424      1.902709      1.643893
  H       0.369803      1.182559      0.035299
  H       0.112366     -0.579595      1.822190
  H      -1.390867      0.173458      2.353025
  H      -3.491539     -0.972926     -0.519953
  H      -3.468369      0.106801      0.890254
  H      -2.641472      0.581543     -0.604040
  H       0.254580     -1.654501     -0.488777
  H      -0.570271     -0.322666     -1.338318
  H      -1.245746     -1.962495     -1.396766
  H      -2.507051     -2.846293      0.384280
  H      -0.880257     -2.917413      1.064255
  H      -1.012918     -1.365237      3.651557
  H      -0.471566     -3.042656      3.395523
  H      -1.725507     -2.687484      4.598133
  H      -4.157290     -2.018855      3.691792
  H      -3.332777     -0.676031      2.869999
  H      -4.351904     -1.804898      1.946278
  H      -5.426894     -3.387492     -0.513883
  H      -7.126979     -2.922398     -0.703305
  H      -6.034475     -1.929015      0.283403
  H      -5.738647     -3.860452      1.894368
  H      -6.829210     -4.842245      0.921727
  H      -7.722729     -1.196121      1.697330
  H      -8.402070     -1.596235      3.286820
  H      -6.650134     -1.708831      3.010988
  H      -9.983033     -3.091383      1.856623
  H      -9.295216     -4.411814      0.880034
  H      -9.053399     -2.715290      0.392193
  H      -8.385993     -5.265828      2.842975
  H      -8.970380     -3.938477      3.812175
  H      -7.074936     -5.910442      6.186871
  H      -8.139913     -6.492385      4.877816
  H      -8.630112     -5.099588      5.862615
  H      -7.683122     -2.854642      5.488185
  H      -6.228836     -3.620966      6.176267
  H      -6.100927     -2.665786      4.697493
  H       0.199154     -4.151266     10.869705
  H      -0.073465     -2.559344     10.130485
  H      -1.263570     -3.229267     11.258379
  H      -2.082639     -3.448787      8.905717
  H      -1.889632     -5.009252      9.699526
  H       1.027721     -6.179113      7.693219
  H      -0.060778     -6.604261      9.033716
  H       1.219265     -5.400727      9.275619
  H       0.943849     -3.812445      6.671161
  H       1.137308     -3.162170      8.312356
  H      -0.228561     -2.628754      7.294684
  H      -0.662174     -5.477155      6.141743
  H      -1.762113     -4.143821      6.471049
  H      -3.642102     -5.569267      8.782120
  H      -4.022808     -4.484604      7.436029
  H      -4.659110     -6.149016      7.444652
  H      -2.997188     -8.128586      7.490799
  H      -1.249207     -7.819718      7.260637
  H      -2.081367     -7.219414      8.702312
  N      -3.840835     -3.491029      5.346023
  N      -3.753124     -2.572651      6.191298
  H      -3.745582     -1.635759      5.750921
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624974066614
  N      -2.863647     -4.095265      2.693658
  C      -2.735583     -4.947559      1.507946
  C      -2.621779     -6.400944      1.913784
  N      -3.669108     -6.737228      2.893349
  C      -5.002097     -6.903596      2.283128
  C      -6.059462     -6.569924      3.316323
  N      -5.793530     -5.265052      3.947264
  Mo     -3.838605     -4.919125      4.271214
  N      -2.963298     -6.262142      5.507087
  C      -2.351253     -7.408350      4.830322
  C      -3.277634     -7.888289      3.731393
  H      -2.193905     -8.255674      5.511419
  H      -1.350996     -7.163018      4.416362
  H      -4.187567     -8.297337      4.191296
  H      -2.814504     -8.678180      3.111440
  H      -7.035901     -6.580999      2.806931
  H      -6.106210     -7.374705      4.075709
  H      -5.078506     -6.201207      1.442792
  H      -5.128349     -7.929180      1.888989
  H      -1.829802     -4.722364      0.927101
  H      -3.587115     -4.815113      0.807469
  H      -1.651615     -6.555453      2.407240
  H      -2.675266     -7.071135      1.034999
  C      -0.320918      1.308195      0.896724
  C      -0.773103     -0.031960      1.481424
  C      -1.559576     -0.957998      0.528199
  C      -2.857189     -0.274140      0.057101
  C      -0.713382     -1.238403     -0.731603
  C      -1.833147     -2.376697      1.130135
  C      -2.427637     -2.640906      2.546148
  C      -1.352645     -2.413529      3.622260
  C      -3.640196     -1.731447      2.777643
  C      -6.293908     -2.965446      0.012629
  C      -6.626357     -3.808083      1.244252
  C      -7.824943     -3.335698      2.097956
  C      -7.630359     -1.879300      2.552628
  C      -9.112589     -3.387919      1.251833
  C      -8.076408     -4.308001      3.285774
  C      -7.053678     -4.623891      4.427879
  C      -7.778503     -5.600201      5.386780
  C      -6.750569     -3.369338      5.241531
  C      -0.552527     -3.476596     10.430531
  C      -1.317275     -4.142090      9.284130
  C      -0.466930     -4.638232      8.093523
  C       0.488577     -5.759039      8.536388
  C       0.391431     -3.480104      7.547678
  C      -1.359011     -5.064125      6.891825
  C      -2.558396     -6.060230      6.944129
  C      -3.789608     -5.528366      7.700742
  C      -2.179899     -7.387206      7.623317
  H      -1.170544      1.905301      0.535044
  H       0.192695      1.902425      1.666386
  H       0.379817      1.181245      0.059500
  H       0.111766     -0.579770      1.845695
  H      -1.395684      0.172262      2.366003
  H      -3.475634     -0.977610     -0.520924
  H      -3.464129      0.101577      0.889889
  H      -2.627341      0.578071     -0.598330
  H       0.270057     -1.655373     -0.464849
  H      -0.551044     -0.324586     -1.319572
  H      -1.224451     -1.965128     -1.381853
  H      -2.498096     -2.848483      0.391356
  H      -0.874863     -2.920482      1.079563
  H      -1.021914     -1.368990      3.667887
  H      -0.477049     -3.045320      3.412080
  H      -1.736998     -2.693438      4.609091
  H      -4.164435     -2.022409      3.691958
  H      -3.336296     -0.680119      2.873154
  H      -4.351281     -1.809245      1.945639
  H      -5.426407     -3.391365     -0.514328
  H      -7.125512     -2.923425     -0.705626
  H      -6.032439     -1.931750      0.282162
  H      -5.741463     -3.863544      1.893607
  H      -6.832866     -4.843464      0.919835
  H      -7.718165     -1.195689      1.696231
  H      -8.400375     -1.594501      3.284907
  H      -6.648452     -1.712272      3.010804
  H      -9.983989     -3.083967      1.852043
  H      -9.299306     -4.405986      0.875329
  H      -9.051774     -2.709922      0.388766
  H      -8.391985     -5.264809      2.836815
  H      -8.976223     -3.938208      3.807069
  H      -7.086024     -5.920101      6.179251
  H      -8.152946     -6.493616      4.867830
  H      -8.638587     -5.103265      5.858537
  H      -7.692937     -2.859354      5.487377
  H      -6.240179     -3.626904      6.177355
  H      -6.109015     -2.669226      4.700540
  H       0.216649     -4.140057     10.853300
  H      -0.055918     -2.549195     10.111837
  H      -1.242843     -3.214444     11.245611
  H      -2.073385     -3.437935      8.898678
  H      -1.877600     -4.997143      9.693415
  H       1.030892     -6.166589      7.669067
  H      -0.038893     -6.587519      9.025958
  H       1.239523     -5.378070      9.244313
  H       0.939575     -3.801481      6.648332
  H       1.132905     -3.141667      8.285247
  H      -0.238353     -2.621312      7.268476
  H      -0.670411     -5.466291      6.127412
  H      -1.775582     -4.140207      6.468215
  H      -3.633261     -5.569639      8.785963
  H      -4.031198     -4.495219      7.436399
  H      -4.653629     -6.164777      7.458328
  H      -2.983465     -8.130142      7.500369
  H      -1.238863     -7.815545      7.253303
  H      -2.060569     -7.213655      8.700247
  N      -3.849429     -3.495474      5.348593
  N      -3.764843     -2.576870      6.193915
  H      -3.753197     -1.640308      5.752977
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624977998204
  N      -2.865010     -4.096274      2.695891
  C      -2.735977     -4.948386      1.510164
  C      -2.623163     -6.401863      1.915867
  N      -3.671885     -6.737871      2.894026
  C      -5.004090     -6.903930      2.282119
  C      -6.062715     -6.570549      3.314065
  N      -5.796846     -5.266438      3.946669
  Mo     -3.842039     -4.920339      4.272076
  N      -2.964878     -6.262605      5.507641
  C      -2.355311     -7.410499      4.831627
  C      -3.281946     -7.889140      3.732368
  H      -2.200779     -8.258059      5.513090
  H      -1.354028     -7.167800      4.418462
  H      -4.192512     -8.297140      4.191975
  H      -2.819503     -8.679700      3.112727
  H      -7.038396     -6.580372      2.803224
  H      -6.111399     -7.376029      4.072586
  H      -5.079454     -6.201328      1.441841
  H      -5.129867     -7.929388      1.887484
  H      -1.829511     -4.723422      0.930292
  H      -3.586730     -4.815532      0.808808
  H      -1.653688     -6.556783      2.410552
  H      -2.675734     -7.071901      1.036910
  C      -0.318690      1.306490      0.903527
  C      -0.772135     -0.033663      1.487250
  C      -1.556195     -0.959878      0.532229
  C      -2.852685     -0.276144      0.057809
  C      -0.706919     -1.240590     -0.725437
  C      -1.831535     -2.378332      1.133807
  C      -2.429208     -2.641866      2.548602
  C      -1.356460     -2.413390      3.626606
  C      -3.642500     -1.732578      2.776756
  C      -6.295344     -2.968953      0.009652
  C      -6.628721     -3.810529      1.241757
  C      -7.825313     -3.334993      2.096578
  C      -7.626029     -1.879306      2.551520
  C      -9.113720     -3.383047      1.251340
  C      -8.078859     -4.307063      3.284154
  C      -7.057116     -4.625051      4.426639
  C      -7.783703     -5.601430      5.384077
  C      -6.753495     -3.371396      5.241467
  C      -0.547277     -3.478845     10.429004
  C      -1.313714     -4.142600      9.282755
  C      -0.465552     -4.633546      8.088458
  C       0.495291     -5.751781      8.525935
  C       0.387390     -3.471494      7.542128
  C      -1.360415     -5.059434      6.888897
  C      -2.556693     -6.059232      6.943800
  C      -3.787268     -5.530838      7.703728
  C      -2.172139     -7.384358      7.623028
  H      -1.167445      1.903434      0.539523
  H       0.192783      1.900913      1.674455
  H       0.384286      1.179581      0.068181
  H       0.111967     -0.581309      1.853676
  H      -1.396880      0.170488      2.370312
  H      -3.469336     -0.979620     -0.522118
  H      -3.462006      0.099178      0.889042
  H      -2.621279      0.576300     -0.596793
  H       0.275858     -1.657594     -0.456276
  H      -0.543135     -0.326869     -1.313175
  H      -1.216545     -1.967379     -1.376736
  H      -2.495014     -2.850087      0.393691
  H      -0.873370     -2.922555      1.085647
  H      -1.025159     -1.368955      3.671049
  H      -0.480858     -3.046129      3.419347
  H      -1.742974     -2.691224      4.613090
  H      -4.168778     -2.022684      3.690220
  H      -3.339013     -0.681070      2.871905
  H      -4.351860     -1.811162      1.943312
  H      -5.429260     -3.396980     -0.517909
  H      -7.127426     -2.925218     -0.707931
  H      -6.031279     -1.935793      0.278688
  H      -5.743350     -3.868020      1.890275
  H      -6.838074     -4.845433      0.917689
  H      -7.712298     -1.195361      1.695256
  H      -8.394653     -1.592336      3.284415
  H      -6.643268     -1.715520      3.009024
  H      -9.983732     -3.076634      1.852314
  H      -9.303849     -4.400377      0.874556
  H      -9.051421     -2.704886      0.388507
  H      -8.396209     -5.263082      2.834795
  H      -8.978093     -3.935686      3.805323
  H      -7.092889     -5.922274      6.177584
  H      -8.157974     -6.494292      4.864102
  H      -8.644204     -5.104192      5.854761
  H      -7.695631     -2.861229      5.487812
  H      -6.243155     -3.630003      6.177040
  H      -6.111662     -2.671048      4.701088
  H       0.223605     -4.142440     10.848486
  H      -0.052426     -2.550174     10.111392
  H      -1.236109     -3.219453     11.246226
  H      -2.072148     -3.438981      8.900721
  H      -1.871279     -4.999759      9.691414
  H       1.034777     -6.157009      7.655748
  H      -0.026506     -6.582465      9.017871
  H       1.248449     -5.368561      9.230336
  H       0.932013     -3.788442      6.639124
  H       1.131539     -3.133608      8.277258
  H      -0.245863     -2.613229      7.268983
  H      -0.673515     -5.457873      6.121047
  H      -1.781412     -4.135872      6.469117
  H      -3.625699     -5.566534      8.788458
  H      -4.035717     -4.500193      7.436065
  H      -4.648896     -6.173041      7.468117
  H      -2.974351     -8.129590      7.505281
  H      -1.231735     -7.811059      7.249555
  H      -2.048458     -7.208466      8.699110
  N      -3.854707     -3.496834      5.349613
  N      -3.772327     -2.578026      6.194951
  H      -3.758021     -1.641656      5.753808
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624981065000
  N      -2.866178     -4.097356      2.698693
  C      -2.736690     -4.949150      1.512760
  C      -2.625116     -6.402759      1.918072
  N      -3.675110     -6.738458      2.894954
  C      -5.006572     -6.903994      2.281441
  C      -6.066376     -6.570850      3.312179
  N      -5.800679     -5.267558      3.946500
  Mo     -3.845783     -4.921371      4.273263
  N      -2.966904     -6.262987      5.508256
  C      -2.359387     -7.412263      4.832839
  C      -3.286484     -7.889951      3.733516
  H      -2.206972     -8.259922      5.514691
  H      -1.357405     -7.171688      4.420056
  H      -4.197506     -8.296991      4.193110
  H      -2.824786     -8.681120      3.114060
  H      -7.041351     -6.579317      2.799892
  H      -6.116971     -7.377111      4.069758
  H      -5.080772     -6.201133      1.441253
  H      -5.132080     -7.929312      1.886297
  H      -1.829598     -4.724575      0.933743
  H      -3.586785     -4.815517      0.810741
  H      -1.656272     -6.558361      2.413782
  H      -2.677054     -7.072485      1.038837
  C      -0.315711      1.304710      0.909789
  C      -0.770550     -0.035195      1.493099
  C      -1.552142     -0.961943      0.536636
  C      -2.847419     -0.278424      0.058472
  C      -0.699673     -1.243306     -0.718685
  C      -1.829263     -2.380110      1.138174
  C      -2.429864     -2.643103      2.551876
  C      -1.358997     -2.414666      3.631663
  C      -3.643506     -1.733753      2.777422
  C      -6.295417     -2.968548      0.009018
  C      -6.629685     -3.810311      1.240790
  C      -7.826589     -3.334632      2.095068
  C      -7.626531     -1.879338      2.550903
  C      -9.114386     -3.381175      1.248833
  C      -8.081809     -4.307262      3.281864
  C      -7.061563     -4.626533      4.425407
  C      -7.789844     -5.603724      5.380590
  C      -6.759297     -3.373700      5.241887
  C      -0.540217     -3.478268     10.425078
  C      -1.309618     -4.141435      9.280524
  C      -0.464333     -4.629027      8.082597
  C       0.500670     -5.745261      8.515613
  C       0.384186     -3.464171      7.534743
  C      -1.362231     -5.054873      6.885482
  C      -2.555360     -6.058208      6.943371
  C      -3.785025     -5.533352      7.706952
  C      -2.164352     -7.381660      7.622325
  H      -1.163499      1.901410      0.543082
  H       0.193556      1.899616      1.681751
  H       0.389605      1.177429      0.076522
  H       0.112733     -0.582561      1.862020
  H      -1.397560      0.169272      2.374426
  H      -3.462221     -0.982055     -0.523196
  H      -3.459202      0.096791      0.887907
  H      -2.614328      0.574072     -0.595554
  H       0.282361     -1.660384     -0.446838
  H      -0.534265     -0.329814     -1.306406
  H      -1.207827     -1.970251     -1.370907
  H      -2.491428     -2.851799      0.396862
  H      -0.871270     -2.924878      1.092256
  H      -1.026816     -1.370479      3.675693
  H      -0.483627     -3.048362      3.426431
  H      -1.747533     -2.691144      4.617670
  H      -4.171559     -2.023234      3.690155
  H      -3.340068     -0.682173      2.872540
  H      -4.351461     -1.812605      1.942722
  H      -5.428900     -3.396426     -0.517915
  H      -7.126938     -2.924822     -0.709188
  H      -6.031601     -1.935393      0.278313
  H      -5.744716     -3.867946      1.889818
  H      -6.839005     -4.845119      0.916430
  H      -7.711491     -1.195076      1.694833
  H      -8.395506     -1.592139      3.283341
  H      -6.643997     -1.716710      3.009216
  H      -9.984583     -3.074557      1.849422
  H      -9.305021     -4.398047      0.871125
  H      -9.050905     -2.702383      0.386577
  H      -8.399187     -5.262835      2.831569
  H      -8.981382     -3.935701      3.802272
  H      -7.101607     -5.923763      6.176649
  H      -8.161172     -6.497124      4.859486
  H      -8.652692     -5.107651      5.848178
  H      -7.701934     -2.864567      5.488496
  H      -6.249158     -3.633024      6.177297
  H      -6.117893     -2.672161      4.702630
  H       0.232496     -4.141852     10.841111
  H      -0.047082     -2.548907     10.106867
  H      -1.226597     -3.220496     11.244862
  H      -2.070586     -3.438914      8.901504
  H      -1.863762     -5.000394      9.690035
  H       1.036881     -6.149801      7.643039
  H      -0.015761     -6.577249      9.011156
  H       1.256524     -5.359656      9.215816
  H       0.922208     -3.776971      6.626438
  H       1.133411     -3.128969      8.265978
  H      -0.251563     -2.605099      7.270131
  H      -0.677265     -5.449909      6.114222
  H      -1.787354     -4.131573      6.469423
  H      -3.617677     -5.562872      8.791047
  H      -4.040960     -4.505441      7.435744
  H      -4.644088     -6.181706      7.478770
  H      -2.964869     -8.129395      7.509313
  H      -1.224357     -7.806197      7.245316
  H      -2.036540     -7.203609      8.697589
  N      -3.859513     -3.498231      5.351173
  N      -3.778878     -2.579186      6.196427
  H      -3.761651     -1.643042      5.755117
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624981884912
  N      -2.866328     -4.097485      2.699920
  C      -2.736870     -4.948659      1.513528
  C      -2.625664     -6.402478      1.918075
  N      -3.675968     -6.738550      2.894518
  C      -5.007130     -6.904053      2.280406
  C      -6.067409     -6.571467      3.310804
  N      -5.802108     -5.268486      3.945903
  Mo     -3.847205     -4.922003      4.273437
  N      -2.967658     -6.263476      5.507911
  C      -2.360372     -7.412813      4.832365
  C      -3.287504     -7.890234      3.732913
  H      -2.208170     -8.260568      5.514150
  H      -1.358341     -7.172398      4.419629
  H      -4.198582     -8.297215      4.192446
  H      -2.825906     -8.681360      3.113332
  H      -7.042141     -6.579670      2.798051
  H      -6.118358     -7.378177      4.067889
  H      -5.081066     -6.200920      1.440427
  H      -5.132350     -7.929257      1.884852
  H      -1.829565     -4.723960      0.934855
  H      -3.586771     -4.814358      0.811406
  H      -1.656965     -6.558493      2.413922
  H      -2.677472     -7.071718      1.038466
  C      -0.312991      1.303307      0.911746
  C      -0.768584     -0.036316      1.495137
  C      -1.549896     -0.963100      0.538480
  C      -2.844828     -0.279420      0.059630
  C      -0.696935     -1.244975     -0.716380
  C      -1.827845     -2.381019      1.140180
  C      -2.429380     -2.643366      2.553537
  C      -1.358948     -2.415273      3.633844
  C      -3.642782     -1.733437      2.777986
  C      -6.295931     -2.967033      0.010163
  C      -6.630616     -3.809563      1.241307
  C      -7.827614     -3.334259      2.095613
  C      -7.627405     -1.879238      2.552243
  C      -9.115251     -3.380119      1.249099
  C      -8.083217     -4.307550      3.281782
  C      -7.063168     -4.628122      4.425193
  C      -7.791677     -5.606337      5.379142
  C      -6.761009     -3.376228      5.243140
  C      -0.538348     -3.473218     10.421254
  C      -1.309175     -4.138160      9.278710
  C      -0.464821     -4.627108      8.080497
  C       0.501146     -5.742261      8.514201
  C       0.382828     -3.462392      7.530712
  C      -1.363396     -5.054038      6.884281
  C      -2.555395     -6.058679      6.942808
  C      -3.785122     -5.535756      7.707452
  C      -2.162271     -7.381961      7.621054
  H      -1.160345      1.900173      0.544300
  H       0.195917      1.898277      1.683885
  H       0.392874      1.175591      0.079025
  H       0.114338     -0.583831      1.864706
  H      -1.396065      0.168520      2.376036
  H      -3.459305     -0.982954     -0.522494
  H      -3.457077      0.095709      0.888773
  H      -2.611317      0.573142     -0.594171
  H       0.284805     -1.662403     -0.443983
  H      -0.530895     -0.331628     -1.304152
  H      -1.205073     -1.971805     -1.368731
  H      -2.489814     -2.852606      0.398620
  H      -0.870083     -2.926276      1.094976
  H      -1.027220     -1.370985      3.678733
  H      -0.483240     -3.048373      3.428280
  H      -1.747680     -2.692591      4.619502
  H      -4.171435     -2.022155      3.690610
  H      -3.338970     -0.681898      2.872649
  H      -4.350339     -1.812465      1.942946
  H      -5.429237     -3.394595     -0.516738
  H      -7.127214     -2.922847     -0.708289
  H      -6.032154     -1.934047      0.280164
  H      -5.745808     -3.867680      1.890521
  H      -6.839976     -4.844142      0.916236
  H      -7.712046     -1.194676      1.696526
  H      -8.396474     -1.592294      3.284675
  H      -6.644922     -1.717038      3.010788
  H      -9.985543     -3.073935      1.849766
  H      -9.305857     -4.396686      0.870563
  H      -9.051570     -2.700656      0.387390
  H      -8.400996     -5.262683      2.830839
  H      -8.982635     -3.935943      3.802401
  H      -7.103984     -5.926282      6.175736
  H      -8.161685     -6.499820      4.857246
  H      -8.655478     -5.111272      5.846032
  H      -7.703689     -2.867617      5.490653
  H      -6.250558     -3.636587      6.178086
  H      -6.119962     -2.673829      4.704596
  H       0.234913     -4.136324     10.836966
  H      -0.045619     -2.544342     10.100938
  H      -1.223522     -3.214357     11.241690
  H      -2.070990     -3.436712      8.899519
  H      -1.861987     -4.997061      9.690089
  H       1.035597     -6.149274      7.641685
  H      -0.013492     -6.573100      9.013553
  H       1.258575     -5.354500      9.211499
  H       0.918224     -3.775271      6.620902
  H       1.134000     -3.127653      8.260177
  H      -0.253316     -2.603119      7.267945
  H      -0.678674     -5.448237      6.112399
  H      -1.789712     -4.131046      6.468773
  H      -3.616275     -5.564013      8.791304
  H      -4.043775     -4.508619      7.435764
  H      -4.643116     -6.186081      7.480808
  H      -2.961835     -8.130701      7.508171
  H      -1.221911     -7.805050      7.243295
  H      -2.034127     -7.204045      8.696270
  N      -3.861947     -3.499341      5.351914
  N      -3.782732     -2.580076      6.197023
  H      -3.765473     -1.644039      5.755547
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624982044595
  N      -2.866465     -4.097551      2.699735
  C      -2.737325     -4.948776      1.513316
  C      -2.626291     -6.402619      1.917812
  N      -3.676424     -6.738532      2.894492
  C      -5.007723     -6.903886      2.280625
  C      -6.067770     -6.571144      3.311220
  N      -5.802288     -5.268134      3.946143
  Mo     -3.847244     -4.921874      4.273398
  N      -2.967696     -6.263364      5.507775
  C      -2.360504     -7.412696      4.832081
  C      -3.287925     -7.890196      3.732907
  H      -2.207898     -8.260371      5.513860
  H      -1.358665     -7.172159      4.418952
  H      -4.198958     -8.296996      4.192689
  H      -2.826555     -8.681426      3.113295
  H      -7.042630     -6.579349      2.798678
  H      -6.118555     -7.377806      4.068366
  H      -5.081712     -6.200763      1.440646
  H      -5.133173     -7.929087      1.885135
  H      -1.830058     -4.724250      0.934531
  H      -3.587296     -4.814297      0.811319
  H      -1.657489     -6.558825      2.413397
  H      -2.678448     -7.071824      1.038200
  C      -0.312163      1.303237      0.912931
  C      -0.768266     -0.036366      1.495972
  C      -1.549221     -0.962961      0.538839
  C      -2.843905     -0.279140      0.059514
  C      -0.695752     -1.244724     -0.715690
  C      -1.827480     -2.380948      1.140245
  C      -2.429381     -2.643444      2.553404
  C      -1.359296     -2.415458      3.634096
  C      -3.642832     -1.733550      2.777706
  C      -6.296083     -2.967029      0.010535
  C      -6.630584     -3.809519      1.241759
  C      -7.828208     -3.334874      2.095530
  C      -7.629150     -1.879643      2.551993
  C      -9.115535     -3.381829      1.248608
  C      -8.083485     -4.308034      3.281863
  C      -7.063368     -4.627792      4.425401
  C      -7.791515     -5.605889      5.379752
  C      -6.761649     -3.375489      5.242868
  C      -0.538109     -3.473156     10.420721
  C      -1.308936     -4.138214      9.278237
  C      -0.464514     -4.627065      8.080003
  C       0.501440     -5.742243      8.513729
  C       0.383008     -3.462277      7.530165
  C      -1.363074     -5.054138      6.883852
  C      -2.555214     -6.058497      6.942615
  C      -3.784743     -5.535344      7.707414
  C      -2.162217     -7.381753      7.620977
  H      -1.159232      1.900271      0.545101
  H       0.196447      1.898057      1.685381
  H       0.394114      1.175472      0.080569
  H       0.114369     -0.584053      1.865969
  H      -1.396185      0.168494      2.376558
  H      -3.458196     -0.982588     -0.522911
  H      -3.456464      0.095968      0.888436
  H      -2.610069      0.573456     -0.594128
  H       0.285814     -1.662312     -0.442912
  H      -0.529338     -0.331298     -1.303231
  H      -1.203674     -1.971380     -1.368401
  H      -2.489287     -2.852342      0.398428
  H      -0.869750     -2.926277      1.095215
  H      -1.027786     -1.371127      3.679457
  H      -0.483410     -3.048327      3.428596
  H      -1.748373     -2.693189      4.619513
  H      -4.171586     -2.022359      3.690247
  H      -3.339102     -0.682005      2.872460
  H      -4.350254     -1.812625      1.942559
  H      -5.428836     -3.394032     -0.515913
  H      -7.127112     -2.923683     -0.708259
  H      -6.033233     -1.933768      0.280381
  H      -5.745961     -3.866847      1.891305
  H      -6.839088     -4.844326      0.916852
  H      -7.714047     -1.195193      1.696183
  H      -8.398607     -1.593164      3.284195
  H      -6.646906     -1.716688      3.010780
  H      -9.986262     -3.076202      1.848923
  H      -9.305246     -4.398609      0.870196
  H      -9.052074     -2.702475      0.386800
  H      -8.400698     -5.263476      2.831148
  H      -8.983150     -3.936740      3.802278
  H      -7.103474     -5.925271      6.176274
  H      -8.161246     -6.499713      4.858236
  H      -8.655428     -5.110975      5.846580
  H      -7.704517     -2.867082      5.490104
  H      -6.251216     -3.635313      6.177967
  H      -6.120816     -2.673078      4.704099
  H       0.235390     -4.136146     10.836177
  H      -0.045671     -2.544132     10.100389
  H      -1.223171     -3.214548     11.241328
  H      -2.070977     -3.436923      8.899270
  H      -1.861479     -4.997377      9.689498
  H       1.035715     -6.149497      7.641226
  H      -0.013244     -6.572925      9.013311
  H       1.259067     -5.354507      9.210835
  H       0.918519     -3.775284      6.620450
  H       1.134037     -3.127234      8.259630
  H      -0.253319     -2.603257      7.267057
  H      -0.678349     -5.448634      6.112121
  H      -1.789160     -4.131156      6.468098
  H      -3.615869     -5.563854      8.791249
  H      -4.043161     -4.508087      7.435920
  H      -4.642952     -6.185326      7.480594
  H      -2.961905     -8.130364      7.508077
  H      -1.221914     -7.804953      7.243187
  H      -2.034006     -7.203842      8.696188
  N      -3.861533     -3.499169      5.351819
  N      -3.782129     -2.579752      6.196732
  H      -3.765122     -1.643730      5.755142
110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca E -5715.624982409253
  N      -2.866341     -4.097691      2.699970
  C      -2.737365     -4.948897      1.513508
  C      -2.626444     -6.402776      1.917920
  N      -3.676549     -6.738627      2.894646
  C      -5.007863     -6.903934      2.280789
  C      -6.067907     -6.571067      3.311362
  N      -5.802387     -5.268000      3.946155
  Mo     -3.847295     -4.921924      4.273565
  N      -2.967710     -6.263374      5.507910
  C      -2.360591     -7.412748      4.832214
  C      -3.288110     -7.890261      3.733139
  H      -2.207851     -8.260368      5.514034
  H      -1.358813     -7.172191      4.418941
  H      -4.199173     -8.296899      4.193006
  H      -2.826859     -8.681596      3.113575
  H      -7.042772     -6.579329      2.798831
  H      -6.118675     -7.377673      4.068567
  H      -5.081789     -6.200852      1.440772
  H      -5.133394     -7.929152      1.885366
  H      -1.830111     -4.724439      0.934683
  H      -3.587373     -4.814275      0.811584
  H      -1.657606     -6.559120      2.413386
  H      -2.678772     -7.071917      1.038271
  C      -0.312269      1.303278      0.913484
  C      -0.768522     -0.036294      1.496475
  C      -1.549148     -0.962969      0.539151
  C      -2.843764     -0.279257      0.059466
  C      -0.695359     -1.244682     -0.715155
  C      -1.827478     -2.380978      1.140502
  C      -2.429537     -2.643507      2.553567
  C      -1.359697     -2.415219      3.634448
  C      -3.643268     -1.733919      2.777687
  C      -6.296137     -2.967254      0.010115
  C      -6.630613     -3.809659      1.241410
  C      -7.828187     -3.334911      2.095184
  C      -7.629049     -1.879654      2.551537
  C      -9.115515     -3.381873      1.248280
  C      -8.083530     -4.307930      3.281641
  C      -7.063470     -4.627545      4.425275
  C      -7.791600     -5.605510      5.379789
  C      -6.761809     -3.375138      5.242587
  C      -0.537366     -3.473363     10.420637
  C      -1.308424     -4.138321      9.278253
  C      -0.464262     -4.627007      8.079781
  C       0.501800     -5.742245      8.513122
  C       0.383076     -3.462134      7.529861
  C      -1.363077     -5.054062      6.883791
  C      -2.555147     -6.058425      6.942709
  C      -3.784750     -5.535403      7.707515
  C      -2.161962     -7.381613      7.621058
  H      -1.159226      1.900262      0.545311
  H       0.196059      1.898173      1.686064
  H       0.394311      1.175469      0.081385
  H       0.113993     -0.583931      1.866822
  H      -1.396760      0.168609      2.376824
  H      -3.457845     -0.982786     -0.523086
  H      -3.456579      0.095831      0.888204
  H      -2.609835      0.573332     -0.594155
  H       0.286148     -1.662252     -0.442129
  H      -0.528817     -0.331236     -1.302634
  H      -1.203096     -1.971331     -1.368015
  H      -2.489186     -2.852348      0.398588
  H      -0.869747     -2.926318      1.095599
  H      -1.028647     -1.370757      3.680071
  H      -0.483514     -3.047689      3.428985
  H      -1.748886     -2.693306      4.619711
  H      -4.171955     -2.022739      3.690271
  H      -3.339885     -0.682266      2.872250
  H      -4.350652     -1.813394      1.942541
  H      -5.428838     -3.394232     -0.516267
  H      -7.127143     -2.924044     -0.708710
  H      -6.033387     -1.933947      0.279879
  H      -5.745971     -3.866988      1.890923
  H      -6.839170     -4.844471      0.916557
  H      -7.714037     -1.195224      1.695715
  H      -8.398407     -1.593132      3.283825
  H      -6.646742     -1.716691      3.010188
  H      -9.986242     -3.076186      1.848565
  H      -9.305249     -4.398681      0.869951
  H      -9.052031     -2.702587      0.386420
  H      -8.400767     -5.263436      2.831081
  H      -8.983209     -3.936518      3.801951
  H      -7.103284     -5.924860      6.176092
  H      -8.161490     -6.499347      4.858406
  H      -8.655367     -5.110507      5.846782
  H      -7.704691     -2.866610      5.489529
  H      -6.251620     -3.634843      6.177848
  H      -6.120806     -2.672861      4.703849
  H       0.236246     -4.136399     10.835831
  H      -0.045027     -2.544300     10.100281
  H      -1.222223     -3.214838     11.241442
  H      -2.070579     -3.436973      8.899656
  H      -1.860858     -4.997614      9.689409
  H       1.035542     -6.149664      7.640375
  H      -0.012771     -6.572797      9.013059
  H       1.259898     -5.354606      9.209778
  H       0.918782     -3.775223      6.620274
  H       1.133929     -3.126714      8.259322
  H      -0.253470     -2.603403      7.266398
  H      -0.678462     -5.448508      6.111933
  H      -1.789226     -4.131072      6.468128
  H      -3.616009     -5.564102      8.791354
  H      -4.043238     -4.508119      7.436155
  H      -4.642928     -6.185343      7.480434
  H      -2.961679     -8.130228      7.508332
  H      -1.221727     -7.804800      7.243065
  H      -2.033499     -7.203685      8.696236
  N      -3.861616     -3.499234      5.352007
  N      -3.782490     -2.579694      6.196792
  H      -3.765650     -1.643698      5.755129
