123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.088460983368
  N      -3.363440     -3.225774      1.899195
  C      -3.649581     -4.018722      0.720454
  C      -3.226211     -5.465824      0.934945
  N      -3.713777     -5.933829      2.221647
  C      -5.122773     -6.297195      2.159370
  C      -5.751694     -6.072371      3.531705
  N      -5.438010     -4.742306      4.007665
  Mo     -3.527277     -4.282073      3.624135
  N      -2.265727     -5.590302      4.555478
  C      -1.719286     -6.410156      3.506808
  C      -2.879275     -7.027996      2.708442
  H      -1.055012     -7.208046      3.867146
  H      -1.114765     -5.789248      2.828145
  H      -3.469416     -7.643542      3.388454
  H      -2.525537     -7.661104      1.879394
  H      -6.829274     -6.256464      3.438141
  H      -5.366085     -6.831583      4.236386
  H      -5.615559     -5.624560      1.454019
  H      -5.258282     -7.334924      1.814804
  H      -3.117015     -3.663908     -0.173057
  H      -4.727443     -3.980748      0.470645
  H      -2.134640     -5.492113      0.956717
  H      -3.575789     -6.112139      0.112413
  C      -3.823443     -1.195686      0.533771
  C      -2.892292     -1.898323      1.551414
  C      -2.861420     -0.995813      2.786880
  C      -1.449994     -1.940490      0.957220
  C      -0.461349     -2.659796      1.873272
  C       0.787748     -3.182231      1.154164
  C       0.519660     -4.402796      0.275433
  C       1.737548     -4.712047     -0.604009
  C       3.049423     -4.376577      0.117043
  C       2.886540     -4.558245      1.622172
  C       1.871113     -3.552450      2.181101
  C      -6.111361     -2.743044      5.235648
  C      -6.571836     -4.053301      4.589616
  C      -7.256123     -4.888247      5.698501
  C      -7.647482     -3.702636      3.517382
  C      -7.101925     -2.778745      2.431853
  C      -7.954789     -2.688401      1.158111
  C      -9.408398     -2.317609      1.456457
  C     -10.146260     -1.938558      0.166374
  C      -9.654792     -2.767654     -1.027989
  C      -9.161690     -4.131935     -0.558427
  C      -7.913625     -3.975558      0.318446
  C      -3.103485     -5.376946      6.834777
  C      -2.167555     -6.146585      5.887857
  C      -2.627532     -7.625837      5.971910
  C      -0.705737     -6.089407      6.427896
  C      -0.077237     -4.701012      6.324879
  C       1.448090     -4.691262      6.472635
  C       1.897224     -5.211447      7.840084
  C       3.417613     -5.169502      7.973529
  C       3.940341     -3.751587      7.765889
  C       3.504309     -3.228150      6.401217
  C       1.984494     -3.270548      6.274553
  H      -4.843653     -1.211893      0.910570
  H      -3.809191     -1.673767     -0.442362
  H      -3.516264     -0.160414      0.400316
  H      -2.586575      0.017003      2.498792
  H      -2.127049     -1.366632      3.491884
  H      -3.850788     -0.975329      3.238420
  H      -1.480938     -2.443810     -0.010499
  H      -1.115409     -0.917149      0.772670
  H      -0.991749     -3.489094      2.365170
  H      -0.130187     -1.969865      2.653053
  H       1.163555     -2.378043      0.510745
  H      -0.353394     -4.242650     -0.359084
  H       0.302780     -5.255782      0.923291
  H       1.722523     -5.770224     -0.875483
  H       1.678987     -4.137529     -1.531270
  H       3.334705     -3.341803     -0.083531
  H       3.852707     -5.015296     -0.256161
  H       2.552775     -5.579397      1.819091
  H       3.849482     -4.428417      2.120378
  H       1.391282     -3.983294      3.063046
  H       2.387357     -2.643412      2.497766
  H      -5.634926     -2.945566      6.191147
  H      -5.407486     -2.255391      4.567333
  H      -6.964238     -2.091787      5.412217
  H      -7.959622     -4.267508      6.249262
  H      -6.506506     -5.264683      6.391770
  H      -7.803189     -5.736398      5.293561
  H      -8.495743     -3.235006      4.021798
  H      -8.012925     -4.625807      3.064789
  H      -7.010561     -1.770228      2.840895
  H      -6.092733     -3.122713      2.176377
  H      -7.530922     -1.876658      0.554047
  H      -9.443281     -1.481124      2.157220
  H      -9.902879     -3.165618      1.931989
  H      -9.996710     -0.877882     -0.046970
  H     -11.217987     -2.093780      0.309771
  H     -10.460134     -2.886465     -1.755885
  H      -8.833076     -2.252768     -1.530578
  H      -9.959220     -4.621677      0.004293
  H      -8.931308     -4.766361     -1.417488
  H      -7.023408     -3.953807     -0.315872
  H      -7.827559     -4.846686      0.970188
  H      -3.377135     -5.999191      7.684791
  H      -2.626642     -4.483125      7.223871
  H      -4.001810     -5.114466      6.273891
  H      -2.055441     -8.282115      5.320741
  H      -2.505683     -7.988545      6.991249
  H      -3.680951     -7.698224      5.707006
  H      -0.709104     -6.428973      7.465152
  H      -0.096261     -6.790635      5.851517
  H      -0.497847     -4.046697      7.092426
  H      -0.340512     -4.292967      5.341354
  H       1.879229     -5.336606      5.697706
  H       1.447371     -4.595846      8.623519
  H       1.552446     -6.237350      7.980449
  H       3.711982     -5.535545      8.960281
  H       3.863714     -5.831010      7.226192
  H       5.030285     -3.740072      7.840859
  H       3.544102     -3.100292      8.548989
  H       3.859542     -2.204239      6.262232
  H       3.951272     -3.846197      5.618906
  H       1.686214     -2.898133      5.292285
  H       1.543778     -2.614113      7.029686
  N      -3.304350     -2.667054      4.994871
  H      -3.777078     -1.819134      4.685160
  H      -2.330179     -2.407370      5.142913
  H      -3.682044     -2.878148      5.917448
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.109931526046
  N      -3.321565     -3.133352      1.944596
  C      -3.626596     -3.915411      0.745196
  C      -3.219359     -5.366574      0.926871
  N      -3.716771     -5.857955      2.216429
  C      -5.142492     -6.206724      2.143835
  C      -5.761479     -6.004563      3.519373
  N      -5.440464     -4.671379      4.031591
  Mo     -3.513671     -4.217784      3.665259
  N      -2.274398     -5.562085      4.562263
  C      -1.728028     -6.384894      3.494320
  C      -2.888377     -6.981060      2.688411
  H      -1.076843     -7.199856      3.843974
  H      -1.109029     -5.762115      2.825638
  H      -3.488810     -7.603661      3.359427
  H      -2.541708     -7.605544      1.847845
  H      -6.842780     -6.174037      3.422643
  H      -5.385862     -6.783831      4.209197
  H      -5.630303     -5.513978      1.448181
  H      -5.287091     -7.236590      1.777412
  H      -3.088358     -3.551960     -0.142464
  H      -4.704271     -3.853707      0.496288
  H      -2.123850     -5.407449      0.945743
  H      -3.577632     -5.995748      0.093811
  C      -3.766166     -1.144427      0.507554
  C      -2.821825     -1.806000      1.540258
  C      -2.741913     -0.817528      2.705206
  C      -1.389260     -1.916063      0.923685
  C      -0.375515     -2.603555      1.844505
  C       0.844050     -3.185810      1.117708
  C       0.528409     -4.445312      0.306514
  C       1.719363     -4.824315     -0.592572
  C       3.064221     -4.478015      0.074257
  C       2.944167     -4.578555      1.595320
  C       1.957239     -3.524422      2.131201
  C      -6.316176     -2.712459      5.311838
  C      -6.635697     -4.038715      4.616773
  C      -7.276047     -4.956971      5.684280
  C      -7.703109     -3.732582      3.520137
  C      -7.214717     -2.739609      2.461866
  C      -8.053331     -2.690213      1.174158
  C      -9.541283     -2.442594      1.447943
  C     -10.285363     -2.100286      0.144621
  C      -9.703744     -2.866336     -1.059643
  C      -9.105726     -4.198312     -0.605185
  C      -7.889759     -3.955630      0.306186
  C      -3.106180     -5.351002      6.865207
  C      -2.187118     -6.133735      5.902561
  C      -2.669620     -7.606154      5.965991
  C      -0.721068     -6.095280      6.433239
  C      -0.072217     -4.710434      6.346451
  C       1.455533     -4.714735      6.487216
  C       1.915107     -5.264003      7.844532
  C       3.441482     -5.235639      7.969146
  C       3.978207     -3.815947      7.776603
  C       3.532855     -3.262762      6.421650
  C       2.007281     -3.293321      6.305246
  H      -4.786242     -1.117871      0.906846
  H      -3.782950     -1.678363     -0.447024
  H      -3.440337     -0.118630      0.310232
  H      -2.449820      0.168012      2.332070
  H      -1.994825     -1.142305      3.428774
  H      -3.727191     -0.730008      3.173191
  H      -1.455562     -2.471400     -0.020814
  H      -1.042681     -0.905080      0.674698
  H      -0.896830     -3.403956      2.396498
  H      -0.007851     -1.878205      2.584076
  H       1.215312     -2.418494      0.419917
  H      -0.366433     -4.300979     -0.312427
  H       0.312969     -5.264792      1.007811
  H       1.677252     -5.899465     -0.811438
  H       1.642212     -4.295034     -1.551325
  H       3.364044     -3.455080     -0.190120
  H       3.849066     -5.151331     -0.291846
  H       2.598160     -5.587889      1.856958
  H       3.927481     -4.442225      2.062593
  H       1.493430     -3.902247      3.053126
  H       2.498901     -2.604518      2.389061
  H      -5.847568     -2.893430      6.284577
  H      -5.653495     -2.130515      4.677870
  H      -7.237168     -2.147561      5.479061
  H      -8.041236     -4.403524      6.237189
  H      -6.511948     -5.298989      6.391425
  H      -7.751580     -5.836954      5.239983
  H      -8.598154     -3.342686      4.020326
  H      -7.991349     -4.674719      3.036354
  H      -7.208145     -1.730688      2.896748
  H      -6.174172     -2.993477      2.211668
  H      -7.684295     -1.830532      0.592270
  H      -9.659684     -1.622766      2.168905
  H      -9.977116     -3.342303      1.901291
  H     -10.220416     -1.021238     -0.046661
  H     -11.348878     -2.345216      0.263193
  H     -10.485088     -3.035308     -1.810825
  H      -8.914144     -2.271991     -1.539530
  H      -9.874210     -4.768530     -0.066025
  H      -8.806322     -4.798419     -1.474043
  H      -6.986226     -3.847478     -0.310729
  H      -7.742323     -4.835633      0.946687
  H      -3.384026     -5.975409      7.719101
  H      -2.610584     -4.458298      7.258638
  H      -4.016054     -5.066023      6.322780
  H      -2.104542     -8.267151      5.301275
  H      -2.548413     -7.983013      6.986293
  H      -3.732079     -7.664583      5.701951
  H      -0.725087     -6.450410      7.470753
  H      -0.120360     -6.803696      5.844297
  H      -0.485152     -4.057112      7.128559
  H      -0.334803     -4.280365      5.367545
  H       1.876922     -5.355256      5.694494
  H       1.472405     -4.653549      8.646051
  H       1.559184     -6.294392      7.973841
  H       3.742426     -5.623097      8.951759
  H       3.878875     -5.894013      7.204560
  H       5.074168     -3.813877      7.844553
  H       3.592861     -3.169553      8.578449
  H       3.898055     -2.234765      6.294162
  H       3.970881     -3.873971      5.619295
  H       1.700933     -2.898854      5.327003
  H       1.573651     -2.641748      7.078763
  N      -3.177349     -2.676936      5.139170
  H      -3.608653     -1.785597      4.901013
  H      -2.181672     -2.475967      5.277579
  H      -3.547168     -2.927681      6.060101
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.118989476417
  N      -3.329294     -3.195179      1.955651
  C      -3.629832     -3.974620      0.736253
  C      -3.225584     -5.425746      0.907155
  N      -3.738924     -5.933956      2.200426
  C      -5.179463     -6.279783      2.122689
  C      -5.798738     -6.079988      3.496273
  N      -5.471856     -4.733923      4.016820
  Mo     -3.551644     -4.283881      3.662830
  N      -2.315061     -5.615032      4.555483
  C      -1.752575     -6.457360      3.491799
  C      -2.902548     -7.064842      2.685971
  H      -1.101362     -7.266991      3.856439
  H      -1.126544     -5.841678      2.820988
  H      -3.508487     -7.689362      3.355371
  H      -2.552224     -7.689424      1.846091
  H      -6.880768     -6.238581      3.397179
  H      -5.434106     -6.863480      4.187554
  H      -5.661374     -5.583252      1.422127
  H      -5.322205     -7.308476      1.751170
  H      -3.080737     -3.604165     -0.140586
  H      -4.704179     -3.901790      0.477443
  H      -2.127272     -5.472553      0.936392
  H      -3.577691     -6.052333      0.069203
  C      -3.729515     -1.145950      0.577664
  C      -2.806016     -1.848219      1.603283
  C      -2.752969     -0.919249      2.824238
  C      -1.358093     -1.951321      1.020889
  C      -0.355204     -2.679500      1.926577
  C       0.878776     -3.231887      1.199294
  C       0.575642     -4.440421      0.305447
  C       1.791675     -4.784845     -0.582260
  C       3.127666     -4.489889      0.137458
  C       2.970309     -4.667002      1.651443
  C       1.970671     -3.634571      2.218515
  C      -6.268561     -2.743191      5.298330
  C      -6.655740     -4.061412      4.611732
  C      -7.302518     -4.962477      5.688845
  C      -7.712861     -3.721709      3.514548
  C      -7.208463     -2.732064      2.455044
  C      -8.051991     -2.651702      1.170873
  C      -9.537320     -2.369640      1.439507
  C     -10.271966     -2.004413      0.131465
  C      -9.702154     -2.774118     -1.083276
  C      -9.125889     -4.123873     -0.642610
  C      -7.910048     -3.912110      0.283799
  C      -3.119335     -5.358770      6.886544
  C      -2.209045     -6.154661      5.921314
  C      -2.665582     -7.630763      6.007687
  C      -0.732761     -6.070401      6.413644
  C      -0.113926     -4.670139      6.305967
  C       1.416554     -4.630751      6.412460
  C       1.934412     -5.176909      7.753459
  C       3.465838     -5.105212      7.838985
  C       3.964744     -3.670422      7.629195
  C       3.460962     -3.118639      6.290030
  C       1.930921     -3.194257      6.214577
  H      -4.765119     -1.127414      0.954655
  H      -3.729550     -1.639930     -0.403482
  H      -3.392798     -0.110424      0.428730
  H      -2.441199      0.084353      2.508223
  H      -2.026357     -1.276631      3.566745
  H      -3.755466     -0.836209      3.274661
  H      -1.404345     -2.464459      0.046265
  H      -1.004319     -0.927834      0.819266
  H      -0.879214     -3.512849      2.430931
  H      -0.002812     -1.993314      2.717030
  H       1.273062     -2.426957      0.551268
  H      -0.306961     -4.254887     -0.328852
  H       0.330516     -5.298528      0.957965
  H       1.745358     -5.849503     -0.863859
  H       1.743222     -4.203837     -1.517444
  H       3.446203     -3.453744     -0.067487
  H       3.919876     -5.149531     -0.248542
  H       2.611189     -5.690906      1.853395
  H       3.944283     -4.566475      2.155253
  H       1.478394     -4.059266      3.110821
  H       2.509286     -2.729595      2.545647
  H      -5.774639     -2.933755      6.264678
  H      -5.605546     -2.161218      4.647192
  H      -7.169446     -2.146759      5.491431
  H      -8.049282     -4.383712      6.251334
  H      -6.536089     -5.321762      6.393756
  H      -7.811328     -5.836155      5.256798
  H      -8.597072     -3.310792      4.025540
  H      -8.037557     -4.656544      3.029335
  H      -7.170301     -1.722284      2.898986
  H      -6.171986     -3.003959      2.190138
  H      -7.661158     -1.792272      0.595704
  H      -9.643434     -1.551805      2.172003
  H      -9.997238     -3.265776      1.889528
  H     -10.187396     -0.920776     -0.050779
  H     -11.345242     -2.226954      0.244864
  H     -10.485267     -2.918267     -1.843261
  H      -8.898594     -2.186220     -1.559410
  H      -9.909284     -4.692114     -0.112595
  H      -8.833132     -4.724638     -1.518126
  H      -6.994231     -3.813603     -0.325606
  H      -7.779678     -4.806889      0.916425
  H      -3.356914     -5.962732      7.772017
  H      -2.634182     -4.435932      7.239755
  H      -4.063795     -5.109157      6.377154
  H      -2.095389     -8.293996      5.340426
  H      -2.518690     -7.990886      7.035557
  H      -3.736429     -7.717830      5.761967
  H      -0.706483     -6.420847      7.457016
  H      -0.127089     -6.778009      5.819426
  H      -0.528005     -4.017667      7.096145
  H      -0.407667     -4.242696      5.330760
  H       1.833851     -5.261498      5.602793
  H       1.493661     -4.579137      8.573562
  H       1.605713     -6.220229      7.893060
  H       3.807062     -5.490480      8.813823
  H       3.901213     -5.755959      7.059349
  H       5.065853     -3.638800      7.666919
  H       3.588843     -3.031964      8.449160
  H       3.796943     -2.077437      6.153003
  H       3.893567     -3.714730      5.465909
  H       1.580993     -2.800870      5.244902
  H       1.497284     -2.553268      7.005006
  N      -3.168631     -2.750849      5.180317
  H      -3.581773     -1.838884      4.964580
  H      -2.163530     -2.578071      5.313877
  H      -3.536149     -3.015106      6.101877
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.123498246031
  N      -3.344869     -3.195997      1.999371
  C      -3.650071     -3.948401      0.760881
  C      -3.247808     -5.400645      0.899391
  N      -3.767371     -5.939019      2.183442
  C      -5.213652     -6.281533      2.102107
  C      -5.830710     -6.105494      3.477710
  N      -5.497744     -4.763213      4.014479
  Mo     -3.591451     -4.304883      3.679627
  N      -2.350407     -5.640343      4.532351
  C      -1.779147     -6.476362      3.462317
  C      -2.925071     -7.078232      2.654538
  H      -1.126398     -7.283555      3.828189
  H      -1.149887     -5.856577      2.799364
  H      -3.533171     -7.713661      3.311841
  H      -2.578602     -7.685166      1.801120
  H      -6.915687     -6.248245      3.378844
  H      -5.475153     -6.897683      4.161734
  H      -5.689128     -5.572967      1.409411
  H      -5.352437     -7.303244      1.711451
  H      -3.095792     -3.553498     -0.103077
  H      -4.722675     -3.859438      0.504002
  H      -2.150271     -5.456947      0.934127
  H      -3.600105     -6.012723      0.051613
  C      -3.700516     -1.127610      0.660359
  C      -2.797218     -1.845355      1.686232
  C      -2.749335     -0.944944      2.926722
  C      -1.352116     -1.970876      1.119391
  C      -0.373661     -2.725830      2.026107
  C       0.861985     -3.293818      1.316907
  C       0.551433     -4.469820      0.382830
  C       1.782878     -4.832771     -0.475517
  C       3.107114     -4.594258      0.286102
  C       2.905139     -4.793993      1.791484
  C       1.916717     -3.748188      2.353193
  C      -6.218764     -2.751475      5.284395
  C      -6.663555     -4.058373      4.611881
  C      -7.320486     -4.941503      5.691192
  C      -7.704628     -3.707415      3.510495
  C      -7.184679     -2.726154      2.452574
  C      -8.016055     -2.641570      1.162811
  C      -9.502843     -2.348543      1.405343
  C     -10.215722     -1.987645      0.083951
  C      -9.630949     -2.761460     -1.121581
  C      -9.060906     -4.110954     -0.673706
  C      -7.863527     -3.901530      0.276608
  C      -3.104365     -5.423786      6.898013
  C      -2.202331     -6.182241      5.902807
  C      -2.617915     -7.665462      5.973925
  C      -0.715680     -6.054600      6.344931
  C      -0.145126     -4.635196      6.249575
  C       1.383761     -4.545672      6.303139
  C       1.975412     -5.116344      7.601845
  C       3.505138     -4.994569      7.631365
  C       3.953490     -3.541349      7.436856
  C       3.373813     -2.964680      6.139783
  C       1.846199     -3.090787      6.121857
  H      -4.740889     -1.100361      1.022590
  H      -3.693737     -1.610434     -0.326477
  H      -3.351132     -0.093804      0.525257
  H      -2.418764      0.060380      2.633426
  H      -2.036801     -1.315361      3.675907
  H      -3.755028     -0.848071      3.369660
  H      -1.397595     -2.467689      0.135822
  H      -0.978871     -0.950869      0.930864
  H      -0.913504     -3.562388      2.509582
  H      -0.026315     -2.062955      2.838670
  H       1.295719     -2.485008      0.698474
  H      -0.307297     -4.246468     -0.270990
  H       0.258220     -5.334810      1.007349
  H       1.713038     -5.888618     -0.783877
  H       1.777689     -4.233226     -1.400124
  H       3.463248     -3.564966      0.109114
  H       3.891120     -5.266278     -0.094854
  H       2.514057     -5.811760      1.964605
  H       3.865416     -4.733991      2.326603
  H       1.388943     -4.177400      3.223551
  H       2.466065     -2.864966      2.719556
  H      -5.697551     -2.949284      6.234680
  H      -5.566707     -2.169691      4.616142
  H      -7.099480     -2.134261      5.506688
  H      -8.056439     -4.346994      6.252758
  H      -6.560455     -5.309139      6.398022
  H      -7.847578     -5.808234      5.267345
  H      -8.586428     -3.285113      4.018221
  H      -8.046315     -4.638643      3.029192
  H      -7.134654     -1.716123      2.894938
  H      -6.148570     -3.004598      2.190809
  H      -7.611485     -1.785658      0.591434
  H      -9.618974     -1.529674      2.135021
  H      -9.975426     -3.239070      1.854714
  H     -10.127871     -0.904524     -0.099634
  H     -11.291731     -2.204109      0.181096
  H     -10.401448     -2.901524     -1.894896
  H      -8.821234     -2.174154     -1.588442
  H      -9.852984     -4.681647     -0.158776
  H      -8.754935     -4.714611     -1.542425
  H      -6.933717     -3.805074     -0.311666
  H      -7.744324     -4.797287      0.910534
  H      -3.276354     -6.036880      7.792703
  H      -2.647325     -4.481688      7.233793
  H      -4.085683     -5.216822      6.440805
  H      -2.046248     -8.302010      5.283274
  H      -2.435269     -8.037977      6.992215
  H      -3.691273     -7.781028      5.753272
  H      -0.641019     -6.429549      7.378312
  H      -0.107295     -6.732862      5.720067
  H      -0.553184     -4.011019      7.066320
  H      -0.485235     -4.191063      5.296995
  H       1.787968     -5.139894      5.458689
  H       1.547229     -4.558542      8.456940
  H       1.683013     -6.172070      7.726429
  H       3.898553     -5.396497      8.579024
  H       3.929698     -5.612998      6.819438
  H       5.053400     -3.475150      7.430998
  H       3.597999     -2.935973      8.290926
  H       3.671697     -1.910486      6.017649
  H       3.789946     -3.519459      5.278579
  H       1.440524     -2.680539      5.180777
  H       1.422585     -2.485437      6.946138
  N      -3.168701     -2.813838      5.268214
  H      -3.561851     -1.884013      5.094299
  H      -2.159791     -2.675027      5.401188
  H      -3.532405     -3.112242      6.178661
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.125799713434
  N      -3.351807     -3.222472      2.038971
  C      -3.661463     -3.967563      0.798173
  C      -3.267778     -5.419496      0.935264
  N      -3.797584     -5.957702      2.215154
  C      -5.244021     -6.297550      2.128357
  C      -5.867447     -6.117921      3.498320
  N      -5.533299     -4.773172      4.022435
  Mo     -3.636527     -4.313789      3.713564
  N      -2.399006     -5.645035      4.557343
  C      -1.817194     -6.491362      3.500545
  C      -2.957999     -7.095684      2.694338
  H      -1.167616     -7.289603      3.886921
  H      -1.178017     -5.881955      2.839087
  H      -3.573331     -7.728012      3.346986
  H      -2.613337     -7.700382      1.839020
  H      -6.954565     -6.248778      3.397522
  H      -5.522029     -6.903267      4.193674
  H      -5.709121     -5.591291      1.428027
  H      -5.376252     -7.320367      1.738319
  H      -3.100149     -3.569256     -0.059571
  H      -4.731757     -3.866149      0.540296
  H      -2.172628     -5.488569      0.978527
  H      -3.621378     -6.032188      0.088602
  C      -3.695137     -1.135507      0.735254
  C      -2.789764     -1.869984      1.743473
  C      -2.736056     -0.996042      2.997849
  C      -1.353006     -1.994837      1.163859
  C      -0.358752     -2.746715      2.049379
  C       0.883056     -3.282770      1.326695
  C       0.590975     -4.433474      0.356433
  C       1.830485     -4.765525     -0.499598
  C       3.147322     -4.535509      0.273631
  C       2.940915     -4.770364      1.771479
  C       1.938872     -3.751629      2.352579
  C      -6.238055     -2.731959      5.249132
  C      -6.696456     -4.038379      4.595316
  C      -7.369685     -4.900475      5.675739
  C      -7.720447     -3.698843      3.479495
  C      -7.200647     -2.719981      2.422824
  C      -8.026415     -2.641761      1.130535
  C      -9.514995     -2.355591      1.358114
  C     -10.218265     -2.003979      0.030695
  C      -9.618214     -2.771985     -1.169007
  C      -9.039616     -4.115311     -0.719463
  C      -7.857711     -3.899061      0.245505
  C      -3.090200     -5.414493      6.951300
  C      -2.214181     -6.170010      5.940666
  C      -2.633638     -7.648550      6.025112
  C      -0.718339     -6.040296      6.345948
  C      -0.142318     -4.626711      6.246617
  C       1.385578     -4.544489      6.276417
  C       1.999102     -5.122833      7.559552
  C       3.527655     -5.008359      7.562268
  C       3.982896     -3.561065      7.353270
  C       3.379025     -2.977562      6.072049
  C       1.852890     -3.095222      6.082711
  H      -4.732518     -1.108258      1.101343
  H      -3.695358     -1.600932     -0.258131
  H      -3.343654     -0.101233      0.612122
  H      -2.400649      0.012049      2.719463
  H      -2.022910     -1.373857      3.739725
  H      -3.735928     -0.895811      3.448903
  H      -1.408234     -2.479651      0.176046
  H      -0.985150     -0.972856      0.975040
  H      -0.877669     -3.601936      2.521748
  H      -0.021028     -2.097427      2.875409
  H       1.312346     -2.453671      0.733241
  H      -0.263783     -4.202264     -0.297437
  H       0.296954     -5.316975      0.952923
  H       1.770988     -5.812541     -0.835946
  H       1.825683     -4.145851     -1.409856
  H       3.496384     -3.500843      0.120848
  H       3.939332     -5.188596     -0.121077
  H       2.561657     -5.795647      1.921515
  H       3.895855     -4.715067      2.314892
  H       1.414039     -4.205046      3.210751
  H       2.473554     -2.872344      2.746029
  H      -5.704401     -2.920583      6.191274
  H      -5.601216     -2.146270      4.571212
  H      -7.115721     -2.113796      5.481914
  H      -8.115381     -4.299019      6.215817
  H      -6.624282     -5.256104      6.401640
  H      -7.890532     -5.772310      5.257453
  H      -8.610820     -3.278936      3.974789
  H      -8.059060     -4.633075      3.004384
  H      -7.153427     -1.709963      2.862857
  H      -6.162675     -2.990637      2.163484
  H      -7.622021     -1.785206      0.560874
  H      -9.644139     -1.537851      2.085215
  H      -9.987130     -3.245089      1.808563
  H     -10.139905     -0.921014     -0.153007
  H     -11.292899     -2.226745      0.118431
  H     -10.379500     -2.914911     -1.949712
  H      -8.811915     -2.176929     -1.630057
  H      -9.831024     -4.695758     -0.216038
  H      -8.720029     -4.716668     -1.583748
  H      -6.919631     -3.796729     -0.326654
  H      -7.739557     -4.793886      0.879083
  H      -3.211340     -6.019871      7.858880
  H      -2.639330     -4.463871      7.261916
  H      -4.095705     -5.233171      6.539727
  H      -2.080515     -8.290693      5.327888
  H      -2.432436     -8.019860      7.039908
  H      -3.710107     -7.760755      5.827326
  H      -0.617649     -6.422614      7.374430
  H      -0.125158     -6.719465      5.709683
  H      -0.535362     -3.999301      7.067593
  H      -0.491711     -4.176545      5.300732
  H       1.770620     -5.139602      5.424045
  H       1.589148     -4.565788      8.423209
  H       1.700770     -6.174717      7.690794
  H       3.936783     -5.411826      8.501291
  H       3.934276     -5.633338      6.746910
  H       5.081806     -3.502352      7.324984
  H       3.654392     -2.951749      8.214407
  H       3.681914     -1.926781      5.942983
  H       3.773560     -3.531013      5.200794
  H       1.428826     -2.683822      5.151486
  H       1.446915     -2.485752      6.912187
  N      -3.171658     -2.825364      5.329183
  H      -3.538009     -1.883562      5.169187
  H      -2.158927     -2.724649      5.458071
  H      -3.536962     -3.130577      6.234224
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.126760681732
  N      -3.350000     -3.221473      2.081928
  C      -3.658777     -3.950478      0.834743
  C      -3.256361     -5.399711      0.957644
  N      -3.789673     -5.953475      2.227162
  C      -5.228660     -6.311885      2.123339
  C      -5.870590     -6.147606      3.485703
  N      -5.552448     -4.804845      4.015432
  Mo     -3.665717     -4.315540      3.743244
  N      -2.418068     -5.640532      4.574149
  C      -1.813520     -6.472937      3.520984
  C      -2.940552     -7.083204      2.702796
  H      -1.159264     -7.260730      3.918398
  H      -1.169656     -5.856642      2.869530
  H      -3.554169     -7.729067      3.343164
  H      -2.585427     -7.672653      1.840835
  H      -6.955890     -6.283436      3.373364
  H      -5.527001     -6.931311      4.183482
  H      -5.693528     -5.608925      1.420190
  H      -5.339514     -7.334560      1.725174
  H      -3.099659     -3.536563     -0.017173
  H      -4.729725     -3.850698      0.579536
  H      -2.161402     -5.465137      1.006166
  H      -3.603823     -6.007431      0.104479
  C      -3.692888     -1.123387      0.797733
  C      -2.780620     -1.869107      1.791999
  C      -2.699276     -1.001105      3.045319
  C      -1.358589     -2.011757      1.188292
  C      -0.353766     -2.753639      2.066336
  C       0.873857     -3.301804      1.330096
  C       0.559074     -4.461994      0.379514
  C       1.782278     -4.817820     -0.488383
  C       3.112346     -4.584811      0.258196
  C       2.930513     -4.793379      1.761804
  C       1.943972     -3.762140      2.343524
  C      -6.265357     -2.767917      5.231689
  C      -6.724294     -4.066357      4.568962
  C      -7.417038     -4.926630      5.638545
  C      -7.729769     -3.722600      3.438978
  C      -7.204224     -2.732574      2.398339
  C      -8.027495     -2.636525      1.105817
  C      -9.514662     -2.348890      1.334307
  C     -10.214419     -1.978533      0.011366
  C      -9.612399     -2.727147     -1.197842
  C      -9.037453     -4.077711     -0.769516
  C      -7.861394     -3.882116      0.204887
  C      -3.058602     -5.413667      6.986413
  C      -2.196746     -6.158981      5.960202
  C      -2.610248     -7.640332      6.052549
  C      -0.697119     -6.021902      6.338230
  C      -0.129524     -4.607161      6.239149
  C       1.398093     -4.520372      6.261697
  C       2.019810     -5.098310      7.539986
  C       3.546929     -4.981695      7.534217
  C       4.001101     -3.536493      7.316418
  C       3.386279     -2.953100      6.041519
  C       1.861597     -3.071786      6.062368
  H      -4.723922     -1.085481      1.178269
  H      -3.711530     -1.587615     -0.195755
  H      -3.334337     -0.092552      0.668344
  H      -2.353870      0.002450      2.762278
  H      -1.979790     -1.385991      3.775982
  H      -3.689137     -0.885221      3.510739
  H      -1.437203     -2.510057      0.209437
  H      -0.987062     -0.996317      0.972591
  H      -0.863973     -3.602834      2.558644
  H      -0.003492     -2.096699      2.880418
  H       1.298565     -2.482049      0.721061
  H      -0.302563     -4.233530     -0.265488
  H       0.262766     -5.333950      0.991528
  H       1.709215     -5.869275     -0.806736
  H       1.767764     -4.214959     -1.409538
  H       3.466216     -3.555850      0.081670
  H       3.893394     -5.248439     -0.140122
  H       2.550799     -5.814210      1.936712
  H       3.894279     -4.734501      2.288676
  H       1.433235     -4.197973      3.218611
  H       2.488762     -2.880091      2.715420
  H      -5.723329     -2.964980      6.165807
  H      -5.639327     -2.167761      4.557339
  H      -7.144503     -2.158657      5.482470
  H      -8.181130     -4.330950      6.158183
  H      -6.687463     -5.272903      6.384305
  H      -7.920612     -5.803725      5.211705
  H      -8.631197     -3.312537      3.922705
  H      -8.059336     -4.653867      2.952925
  H      -7.155336     -1.728808      2.850973
  H      -6.165756     -3.000368      2.137887
  H      -7.619775     -1.774256      0.547642
  H      -9.643262     -1.540574      2.071454
  H      -9.990867     -3.240897      1.774672
  H     -10.136862     -0.893158     -0.156127
  H     -11.289186     -2.201451      0.093443
  H     -10.371494     -2.854991     -1.982963
  H      -8.805286     -2.125561     -1.648063
  H      -9.832086     -4.666108     -0.281239
  H      -8.715123     -4.665736     -1.641605
  H      -6.918254     -3.778108     -0.357745
  H      -7.752423     -4.786044      0.826445
  H      -3.127914     -6.011609      7.904176
  H      -2.624264     -4.449545      7.275466
  H      -4.083352     -5.267334      6.611432
  H      -2.067646     -8.284319      5.349738
  H      -2.395088     -8.012460      7.063924
  H      -3.688671     -7.753187      5.870294
  H      -0.574568     -6.412389      7.361093
  H      -0.109759     -6.693770      5.689928
  H      -0.521543     -3.980680      7.060846
  H      -0.483286     -4.157074      5.294381
  H       1.779380     -5.114684      5.407447
  H       1.613843     -4.543477      8.406591
  H       1.722591     -6.149641      7.673804
  H       3.961756     -5.381049      8.472147
  H       3.950617     -5.611411      6.721377
  H       5.099447     -3.479253      7.277517
  H       3.684752     -2.924381      8.179749
  H       3.688126     -1.902656      5.910076
  H       3.774762     -3.504151      5.166537
  H       1.429740     -2.664227      5.133684
  H       1.459537     -2.459793      6.891473
  N      -3.216638     -2.839696      5.396258
  H      -3.569765     -1.892193      5.246985
  H      -2.204419     -2.760039      5.539675
  H      -3.598334     -3.161922      6.288336
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.127251811593
  N      -3.352931     -3.217475      2.122387
  C      -3.694758     -3.930149      0.876576
  C      -3.311022     -5.385276      0.986847
  N      -3.837313     -5.936486      2.259024
  C      -5.276478     -6.289896      2.163195
  C      -5.913640     -6.120265      3.528131
  N      -5.579876     -4.782422      4.052877
  Mo     -3.692325     -4.302312      3.781776
  N      -2.448758     -5.644806      4.592776
  C      -1.854911     -6.475032      3.533967
  C      -2.992819     -7.071977      2.721717
  H      -1.206937     -7.267751      3.931389
  H      -1.205326     -5.865486      2.880806
  H      -3.604910     -7.718015      3.363485
  H      -2.649922     -7.657837      1.852073
  H      -7.000538     -6.245254      3.418822
  H      -5.574600     -6.906344      4.225940
  H      -5.743506     -5.586995      1.461122
  H      -5.391880     -7.312747      1.766121
  H      -3.148370     -3.517596      0.016294
  H      -4.769537     -3.816921      0.642732
  H      -2.216468     -5.465551      1.020816
  H      -3.677873     -5.984068      0.135149
  C      -3.698589     -1.102825      0.858369
  C      -2.779974     -1.865418      1.836116
  C      -2.682636     -1.011720      3.096850
  C      -1.364200     -2.008840      1.217667
  C      -0.350324     -2.748340      2.086701
  C       0.880563     -3.274369      1.339416
  C       0.571816     -4.422690      0.372976
  C       1.795386     -4.759298     -0.501598
  C       3.125442     -4.525086      0.243374
  C       2.950262     -4.755129      1.744081
  C       1.957240     -3.740747      2.342961
  C      -6.293964     -2.712960      5.219989
  C      -6.751000     -4.021179      4.577652
  C      -7.467379     -4.852052      5.656645
  C      -7.737893     -3.699774      3.425803
  C      -7.197422     -2.732908      2.372653
  C      -8.004511     -2.667835      1.067791
  C      -9.494553     -2.378117      1.273409
  C     -10.180138     -2.039718     -0.064999
  C      -9.560339     -2.810551     -1.250254
  C      -8.988441     -4.150577     -0.787138
  C      -7.826586     -3.934496      0.199491
  C      -3.034564     -5.434366      7.023496
  C      -2.194586     -6.168834      5.971818
  C      -2.612974     -7.651625      6.059503
  C      -0.689608     -6.040766      6.319940
  C      -0.122693     -4.625725      6.228063
  C       1.406257     -4.543245      6.236462
  C       2.037557     -5.132661      7.504536
  C       3.564757     -5.023276      7.484364
  C       4.024858     -3.579941      7.268962
  C       3.398202     -2.984018      6.006122
  C       1.873489     -3.095079      6.042660
  H      -4.724567     -1.061425      1.251420
  H      -3.731178     -1.558959     -0.138682
  H      -3.335515     -0.073327      0.732534
  H      -2.319454     -0.011984      2.822771
  H      -1.970396     -1.417534      3.824308
  H      -3.670408     -0.882086      3.561632
  H      -1.452618     -2.508029      0.240694
  H      -0.993934     -0.994623      0.993956
  H      -0.848539     -3.607034      2.574868
  H      -0.004829     -2.094571      2.905193
  H       1.297309     -2.441776      0.742784
  H      -0.291230     -4.189814     -0.268651
  H       0.279165     -5.304591      0.972297
  H       1.728810     -5.807493     -0.831980
  H       1.774375     -4.146539     -1.416141
  H       3.470994     -3.491271      0.078952
  H       3.910265     -5.177367     -0.166225
  H       2.580931     -5.781635      1.906883
  H       3.915437     -4.694498      2.268352
  H       1.454184     -4.192402      3.214371
  H       2.495913     -2.859277      2.725411
  H      -5.748620     -2.897501      6.154232
  H      -5.673380     -2.119291      4.535901
  H      -7.174898     -2.105660      5.469601
  H      -8.245942     -4.246043      6.140974
  H      -6.754233     -5.174599      6.428933
  H      -7.957433     -5.742823      5.242601
  H      -8.649039     -3.282490      3.884378
  H      -8.057500     -4.642034      2.953940
  H      -7.153538     -1.719280      2.802953
  H      -6.155776     -3.007278      2.131996
  H      -7.591593     -1.818228      0.494496
  H      -9.632437     -1.552496      1.989551
  H      -9.974626     -3.259639      1.730020
  H     -10.106246     -0.957776     -0.255059
  H     -11.254756     -2.266204      0.009301
  H     -10.309416     -2.956539     -2.041901
  H      -8.749496     -2.216061     -1.702998
  H      -9.789062     -4.731132     -0.299336
  H      -8.652637     -4.754927     -1.642887
  H      -6.874667     -3.845934     -0.350711
  H      -7.728998     -4.823555      0.844252
  H      -3.060740     -6.032242      7.943706
  H      -2.606846     -4.464168      7.300753
  H      -4.073686     -5.308054      6.682578
  H      -2.086082     -8.294005      5.342884
  H      -2.385054     -8.035256      7.063650
  H      -3.694865     -7.754832      5.892479
  H      -0.545974     -6.446731      7.333726
  H      -0.115094     -6.703241      5.651028
  H      -0.505662     -4.005344      7.058241
  H      -0.484338     -4.167573      5.289726
  H       1.777035     -5.132573      5.374443
  H       1.642671     -4.583764      8.379880
  H       1.737118     -6.183720      7.633010
  H       3.986269     -5.427663      8.417288
  H       3.958499     -5.652755      6.666610
  H       5.123035     -3.530581      7.214833
  H       3.726429     -2.970530      8.140456
  H       3.703915     -1.933870      5.880737
  H       3.774818     -3.528592      5.122117
  H       1.433868     -2.681222      5.120609
  H       1.482842     -2.485339      6.878561
  N      -3.206160     -2.821978      5.429076
  H      -3.527277     -1.864945      5.272188
  H      -2.191627     -2.779182      5.570993
  H      -3.600920     -3.129395      6.320413
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.127621342883
  N      -3.314315     -3.244270      2.121838
  C      -3.657738     -3.953679      0.874613
  C      -3.286981     -5.412827      0.988385
  N      -3.826188     -5.957828      2.257933
  C      -5.263058     -6.315480      2.146711
  C      -5.915207     -6.140750      3.505107
  N      -5.585026     -4.802672      4.028787
  Mo     -3.693028     -4.319175      3.779682
  N      -2.457851     -5.663519      4.603767
  C      -1.856154     -6.497967      3.552505
  C      -2.988109     -7.093375      2.730322
  H      -1.217790     -7.292505      3.961218
  H      -1.195914     -5.895515      2.903056
  H      -3.605123     -7.738369      3.368847
  H      -2.638025     -7.681664      1.865096
  H      -7.000505     -6.269655      3.386984
  H      -5.578872     -6.924963      4.206816
  H      -5.727103     -5.618194      1.436851
  H      -5.371626     -7.340463      1.753357
  H      -3.108752     -3.546199      0.013913
  H      -4.731363     -3.836223      0.637798
  H      -2.192960     -5.499841      1.027648
  H      -3.653139     -6.008600      0.134330
  C      -3.659104     -1.120536      0.864516
  C      -2.740294     -1.891967      1.836388
  C      -2.637435     -1.040645      3.098536
  C      -1.325540     -2.035291      1.212576
  C      -0.304319     -2.768314      2.079993
  C       0.932256     -3.274722      1.327400
  C       0.633961     -4.418957      0.352529
  C       1.859912     -4.737577     -0.526228
  C       3.188724     -4.492834      0.217792
  C       3.018806     -4.736732      1.717120
  C       2.015661     -3.737702      2.325880
  C      -6.308234     -2.736791      5.201197
  C      -6.759911     -4.043523      4.550229
  C      -7.477658     -4.877890      5.627117
  C      -7.751860     -3.718859      3.402404
  C      -7.223066     -2.743585      2.351467
  C      -8.055658     -2.658297      1.062762
  C      -9.536705     -2.348902      1.305309
  C     -10.247705     -1.987223     -0.014053
  C      -9.663178     -2.752843     -1.220487
  C      -9.103599     -4.107190     -0.783795
  C      -7.918385     -3.921745      0.182001
  C      -3.038906     -5.403083      7.024274
  C      -2.199605     -6.163257      5.988542
  C      -2.628306     -7.643063      6.106882
  C      -0.695521     -6.034690      6.335076
  C      -0.127474     -4.620632      6.222768
  C       1.402390     -4.539355      6.246128
  C       2.018358     -5.104078      7.533203
  C       3.546380     -4.998771      7.526997
  C       4.013155     -3.561188      7.286701
  C       3.399774     -2.988175      6.006587
  C       1.874075     -3.095162      6.030432
  H      -4.683114     -1.075458      1.262664
  H      -3.697604     -1.574238     -0.133630
  H      -3.291293     -0.092565      0.740348
  H      -2.256074     -0.046656      2.828361
  H      -1.938345     -1.461558      3.830731
  H      -3.628366     -0.896129      3.553171
  H      -1.417601     -2.541215      0.239353
  H      -0.957743     -1.022236      0.979620
  H      -0.792276     -3.633751      2.566193
  H       0.034534     -2.112228      2.899635
  H       1.338799     -2.432181      0.737858
  H      -0.230927     -4.188083     -0.287766
  H       0.348594     -5.307879      0.944983
  H       1.804104     -5.785054     -0.861502
  H       1.830964     -4.120402     -1.437760
  H       3.522214     -3.453767      0.060601
  H       3.979923     -5.133890     -0.197689
  H       2.661638     -5.768834      1.872123
  H       3.984764     -4.668408      2.239394
  H       1.519790     -4.201875      3.194858
  H       2.546021     -2.853222      2.713764
  H      -5.752585     -2.928775      6.128397
  H      -5.698038     -2.132156      4.517465
  H      -7.192131     -2.141304      5.468171
  H      -8.267666     -4.278638      6.100826
  H      -6.767379     -5.189619      6.407086
  H      -7.952975     -5.776389      5.211696
  H      -8.663766     -3.309969      3.866688
  H      -8.067251     -4.660225      2.925489
  H      -7.165412     -1.734679      2.791543
  H      -6.188045     -3.023081      2.090529
  H      -7.643821     -1.810080      0.486730
  H      -9.644926     -1.527103      2.031257
  H     -10.019578     -3.227322      1.764949
  H     -10.164890     -0.904112     -0.194416
  H     -11.323128     -2.202405      0.081601
  H     -10.430851     -2.879215     -1.997802
  H      -8.852512     -2.165519     -1.683048
  H      -9.904165     -4.680645     -0.287298
  H      -8.793991     -4.705823     -1.653552
  H      -6.975955     -3.848943     -0.386691
  H      -7.827515     -4.817338      0.818796
  H      -3.050483     -5.971101      7.963827
  H      -2.620091     -4.419709      7.267648
  H      -4.081500     -5.299512      6.685692
  H      -2.102621     -8.305372      5.407218
  H      -2.409636     -8.007045      7.120406
  H      -3.710377     -7.740127      5.934709
  H      -0.552928     -6.426909      7.354242
  H      -0.120298     -6.705700      5.674981
  H      -0.518625     -3.985067      7.037382
  H      -0.479126     -4.180976      5.271742
  H       1.781844     -5.145747      5.399937
  H       1.615381     -4.538101      8.393897
  H       1.715270     -6.152555      7.677753
  H       3.956008     -5.382593      8.474130
  H       3.948071     -5.647261      6.728151
  H       5.112173     -3.518105      7.239004
  H       3.711548     -2.933099      8.143821
  H       3.708662     -1.940540      5.866467
  H       3.784533     -3.549032      5.136274
  H       1.445441     -2.699570      5.095121
  H       1.476582     -2.467934      6.849959
  N      -3.228526     -2.832708      5.427201
  H      -3.523045     -1.870588      5.252079
  H      -2.217286     -2.813620      5.595550
  H      -3.657205     -3.124854      6.308149
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.127814675578
  N      -3.307876     -3.224449      2.159382
  C      -3.662638     -3.920844      0.906734
  C      -3.293191     -5.382107      1.004564
  N      -3.829980     -5.938174      2.271656
  C      -5.264600     -6.306368      2.154977
  C      -5.919386     -6.143418      3.514283
  N      -5.596515     -4.806137      4.046239
  Mo     -3.703648     -4.309785      3.807820
  N      -2.464604     -5.658291      4.622590
  C      -1.857741     -6.481305      3.563948
  C      -2.986214     -7.074211      2.735469
  H      -1.222393     -7.280646      3.968326
  H      -1.195939     -5.873943      2.920708
  H      -3.598864     -7.727962      3.369908
  H      -2.632093     -7.655009      1.866985
  H      -7.003099     -6.280746      3.394192
  H      -5.577023     -6.930446      4.210208
  H      -5.735005     -5.609390      1.448340
  H      -5.365289     -7.329886      1.756390
  H      -3.120043     -3.506763      0.045125
  H      -4.738084     -3.801463      0.677788
  H      -2.198623     -5.468913      1.038473
  H      -3.662318     -5.968274      0.145569
  C      -3.655039     -1.078199      0.938136
  C      -2.726169     -1.873947      1.879967
  C      -2.582471     -1.037589      3.149218
  C      -1.328329     -2.029849      1.221856
  C      -0.290910     -2.771533      2.063767
  C       0.921840     -3.284832      1.277752
  C       0.589804     -4.433930      0.319135
  C       1.787315     -4.763478     -0.595343
  C       3.139739     -4.516319      0.105156
  C       3.016279     -4.751126      1.611150
  C       2.034844     -3.745148      2.245268
  C      -6.331123     -2.742992      5.216273
  C      -6.776922     -4.049512      4.557773
  C      -7.506816     -4.884567      5.626821
  C      -7.756075     -3.723600      3.399283
  C      -7.212328     -2.754083      2.349960
  C      -8.027573     -2.675498      1.049123
  C      -9.511159     -2.359575      1.270955
  C     -10.204499     -2.003459     -0.060163
  C      -9.603885     -2.775465     -1.255297
  C      -9.055414     -4.130595     -0.805111
  C      -7.883696     -3.946095      0.178868
  C      -3.040663     -5.411039      7.044930
  C      -2.200485     -6.162264      6.002233
  C      -2.626252     -7.643632      6.112436
  C      -0.695473     -6.032921      6.344941
  C      -0.129774     -4.616045      6.240624
  C       1.400247     -4.531443      6.269160
  C       2.013011     -5.097326      7.557750
  C       3.541498     -4.988919      7.557366
  C       4.006926     -3.549730      7.320525
  C       3.395727     -2.974845      6.039546
  C       1.869608     -3.085439      6.058349
  H      -4.668798     -1.021550      1.361537
  H      -3.723803     -1.520859     -0.063611
  H      -3.273181     -0.054797      0.816997
  H      -2.176112     -0.052097      2.884161
  H      -1.887669     -1.487946      3.868093
  H      -3.565518     -0.870002      3.615457
  H      -1.450251     -2.538489      0.252760
  H      -0.956895     -1.020879      0.976835
  H      -0.771427     -3.633740      2.562394
  H       0.073607     -2.116374      2.873595
  H       1.311788     -2.445699      0.672074
  H      -0.293191     -4.202398     -0.296265
  H       0.318171     -5.317844      0.925726
  H       1.718637     -5.814072     -0.919111
  H       1.731483     -4.154025     -1.511051
  H       3.470065     -3.478615     -0.068598
  H       3.916291     -5.162225     -0.330584
  H       2.661566     -5.781696      1.782887
  H       3.998726     -4.681526      2.102017
  H       1.565471     -4.202662      3.132636
  H       2.580222     -2.859713      2.610076
  H      -5.786183     -2.939727      6.149506
  H      -5.710147     -2.137841      4.541218
  H      -7.217484     -2.148139      5.476547
  H      -8.309045     -4.287717      6.083104
  H      -6.807021     -5.187475      6.420067
  H      -7.968088     -5.789267      5.208074
  H      -8.672583     -3.312453      3.852240
  H      -8.065614     -4.666108      2.920657
  H      -7.158601     -1.742402      2.784867
  H      -6.174370     -3.037661      2.104666
  H      -7.605742     -1.832439      0.472587
  H      -9.625215     -1.532363      1.990326
  H     -10.002823     -3.233989      1.729372
  H     -10.119113     -0.921003     -0.244505
  H     -11.281242     -2.218836      0.021921
  H     -10.360608     -2.903093     -2.043377
  H      -8.784245     -2.192369     -1.707843
  H      -9.865918     -4.699909     -0.319532
  H      -8.733946     -4.732217     -1.668735
  H      -6.932124     -3.884705     -0.376144
  H      -7.809663     -4.837954      0.823258
  H      -3.040893     -5.980089      7.984306
  H      -2.631053     -4.423708      7.287128
  H      -4.085773     -5.317416      6.710619
  H      -2.096028     -8.300833      5.410802
  H      -2.410973     -8.012013      7.125354
  H      -3.707711     -7.741332      5.934161
  H      -0.548406     -6.432873      7.360560
  H      -0.120475     -6.696315      5.676441
  H      -0.524421     -3.985473      7.057793
  H      -0.480008     -4.173255      5.290486
  H       1.783925     -5.135187      5.422631
  H       1.605541     -4.534460      8.418630
  H       1.712771     -6.147575      7.697940
  H       3.947634     -5.371779      8.506718
  H       3.947922     -5.636234      6.759742
  H       5.106275     -3.506221      7.273866
  H       3.703654     -2.923376      8.178576
  H       3.702075     -1.925481      5.904476
  H       3.785159     -3.531984      5.168607
  H       1.444072     -2.689741      5.121244
  H       1.468101     -2.460378      6.877853
  N      -3.265183     -2.832130      5.467162
  H      -3.541074     -1.865577      5.284294
  H      -2.257915     -2.828246      5.659226
  H      -3.721885     -3.118032      6.335873
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.127880389559
  N      -3.311994     -3.196665      2.210609
  C      -3.677241     -3.867909      0.945782
  C      -3.310021     -5.332132      1.013084
  N      -3.845358     -5.911627      2.271795
  C      -5.276395     -6.292353      2.144410
  C      -5.933483     -6.157775      3.506482
  N      -5.623759     -4.825937      4.061129
  Mo     -3.730001     -4.308145      3.837244
  N      -2.478435     -5.661504      4.628379
  C      -1.868971     -6.463421      3.553911
  C      -2.993897     -7.050354      2.717353
  H      -1.234278     -7.270278      3.944654
  H      -1.209544     -5.844206      2.920043
  H      -3.599620     -7.718440      3.343855
  H      -2.635148     -7.616934      1.841692
  H      -7.014883     -6.307473      3.383503
  H      -5.581106     -6.953375      4.187661
  H      -5.754509     -5.589585      1.448309
  H      -5.366509     -7.310317      1.730213
  H      -3.140087     -3.438894      0.088094
  H      -4.754018     -3.744160      0.724514
  H      -2.215152     -5.419132      1.041961
  H      -3.681490     -5.899480      0.143123
  C      -3.616091     -1.020622      1.027950
  C      -2.704619     -1.853820      1.952992
  C      -2.531293     -1.042861      3.235932
  C      -1.311715     -2.036038      1.292113
  C      -0.297372     -2.812375      2.133082
  C       0.910515     -3.344723      1.353370
  C       0.562195     -4.482747      0.387096
  C       1.759143     -4.831631     -0.521912
  C       3.111737     -4.609713      0.187683
  C       2.975511     -4.851488      1.692331
  C       2.007916     -3.831305      2.327035
  C      -6.384655     -2.782676      5.251818
  C      -6.814106     -4.082210      4.566728
  C      -7.560014     -4.933617      5.611981
  C      -7.774710     -3.741458      3.396919
  C      -7.211807     -2.761039      2.367240
  C      -7.997224     -2.674816      1.048228
  C      -9.486585     -2.363182      1.239136
  C     -10.150529     -1.996154     -0.104866
  C      -9.516882     -2.752339     -1.293602
  C      -8.977717     -4.112544     -0.845672
  C      -7.831726     -3.938724      0.171768
  C      -3.024825     -5.436134      7.058523
  C      -2.190710     -6.169365      5.997751
  C      -2.594739     -7.656663      6.106238
  C      -0.680690     -6.020725      6.311745
  C      -0.137085     -4.595233      6.190540
  C       1.391804     -4.487207      6.179783
  C       2.045319     -5.031079      7.458018
  C       3.572048     -4.898375      7.418462
  C       4.008797     -3.453963      7.156158
  C       3.355822     -2.900811      5.885551
  C       1.832193     -3.035866      5.944314
  H      -4.626024     -0.943529      1.458118
  H      -3.701391     -1.447632      0.020494
  H      -3.206459     -0.006316      0.920752
  H      -2.070974     -0.076378      2.990363
  H      -1.871397     -1.542979      3.954754
  H      -3.512211     -0.831309      3.690273
  H      -1.445962     -2.535607      0.319647
  H      -0.913378     -1.035307      1.056066
  H      -0.801520     -3.668165      2.618249
  H       0.075109     -2.172165      2.951457
  H       1.319969     -2.509446      0.755214
  H      -0.311709     -4.229856     -0.233102
  H       0.268662     -5.363613      0.987864
  H       1.674427     -5.880692     -0.847131
  H       1.719306     -4.219552     -1.436701
  H       3.459607     -3.576341      0.022177
  H       3.879916     -5.266623     -0.246667
  H       2.601192     -5.876712      1.854667
  H       3.956453     -4.801409      2.188586
  H       1.524176     -4.286730      3.208401
  H       2.567525     -2.958347      2.700465
  H      -5.865509     -2.993934      6.196732
  H      -5.742336     -2.171447      4.601700
  H      -7.277082     -2.190916      5.497465
  H      -8.378478     -4.346636      6.052208
  H      -6.875569     -5.235750      6.418759
  H      -8.001504     -5.840274      5.176208
  H      -8.699220     -3.336975      3.839006
  H      -8.071511     -4.679035      2.901286
  H      -7.170844     -1.752407      2.810905
  H      -6.167796     -3.040632      2.143707
  H      -7.564127     -1.826658      0.487767
  H      -9.617619     -1.542183      1.962847
  H      -9.986631     -3.243153      1.677502
  H     -10.067505     -0.911267     -0.275588
  H     -11.227387     -2.220042     -0.050985
  H     -10.252831     -2.872661     -2.102325
  H      -8.686652     -2.162353     -1.717102
  H      -9.799953     -4.689261     -0.389311
  H      -8.631681     -4.701211     -1.708769
  H      -6.865862     -3.876944     -0.357966
  H      -7.778362     -4.835820      0.810607
  H      -2.998907     -6.007850      7.996030
  H      -2.630023     -4.442291      7.296217
  H      -4.075991     -5.359614      6.739457
  H      -2.060603     -8.301998      5.396432
  H      -2.366072     -8.025864      7.116019
  H      -3.676075     -7.768072      5.934758
  H      -0.505971     -6.418443      7.323858
  H      -0.111358     -6.673802      5.628201
  H      -0.520838     -3.967868      7.015657
  H      -0.517436     -4.161854      5.247822
  H       1.763928     -5.091962      5.328540
  H       1.650199     -4.467007      8.323837
  H       1.767269     -6.085400      7.613701
  H       4.006582     -5.263644      8.362257
  H       3.969279     -5.547328      6.617600
  H       5.105834     -3.395448      7.078710
  H       3.718979     -2.824009      8.016190
  H       3.640467     -1.847288      5.735286
  H       3.732772     -3.458969      5.009702
  H       1.377835     -2.656149      5.013358
  H       1.441922     -2.409634      6.768382
  N      -3.331258     -2.852803      5.518503
  H      -3.595994     -1.882845      5.335707
  H      -2.328677     -2.856440      5.733817
  H      -3.813373     -3.141655      6.371999
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.128115849522
  N      -3.293596     -3.200578      2.196311
  C      -3.669141     -3.869848      0.933950
  C      -3.307575     -5.335109      1.000781
  N      -3.842450     -5.911237      2.261276
  C      -5.275553     -6.285681      2.138430
  C      -5.928365     -6.147011      3.501953
  N      -5.614512     -4.814343      4.052316
  Mo     -3.719224     -4.305468      3.824238
  N      -2.473265     -5.661418      4.615434
  C      -1.866229     -6.467765      3.542637
  C      -2.993750     -7.051743      2.707850
  H      -1.235537     -7.276838      3.935186
  H      -1.203511     -5.852306      2.908851
  H      -3.602180     -7.716123      3.335310
  H      -2.638254     -7.620667      1.832422
  H      -7.010922     -6.292931      3.382676
  H      -5.577032     -6.941485      4.184644
  H      -5.750626     -5.581367      1.442358
  H      -5.370354     -7.303785      1.725389
  H      -3.134480     -3.442407      0.073900
  H      -4.745966     -3.740405      0.719030
  H      -2.213448     -5.428311      1.027663
  H      -3.684529     -5.901980      0.132803
  C      -3.590228     -1.025109      1.018636
  C      -2.678480     -1.861498      1.939236
  C      -2.498819     -1.058566      3.225862
  C      -1.288245     -2.044489      1.272891
  C      -0.269912     -2.822620      2.105696
  C       0.937219     -3.345758      1.318529
  C       0.592527     -4.482069      0.349178
  C       1.788106     -4.820353     -0.565152
  C       3.141740     -4.591900      0.139568
  C       3.013130     -4.839682      1.643570
  C       2.041287     -3.828575      2.285412
  C      -6.367182     -2.758771      5.227586
  C      -6.801233     -4.064868      4.559590
  C      -7.536889     -4.906149      5.618962
  C      -7.774058     -3.735963      3.396594
  C      -7.223924     -2.766688      2.350219
  C      -8.031961     -2.685695      1.045214
  C      -9.514445     -2.358541      1.259413
  C     -10.199092     -1.998006     -0.075627
  C      -9.593027     -2.769591     -1.268332
  C      -9.058365     -4.130521     -0.818336
  C      -7.894041     -3.958507      0.177856
  C      -3.032457     -5.446869      7.045122
  C      -2.191901     -6.173604      5.986215
  C      -2.593151     -7.661955      6.084138
  C      -0.684804     -6.023179      6.313757
  C      -0.142042     -4.596588      6.209881
  C       1.386156     -4.486854      6.222157
  C       2.020805     -5.035591      7.507509
  C       3.547352     -4.900451      7.493013
  C       3.985932     -3.454652      7.243699
  C       3.353085     -2.897102      5.965215
  C       1.829138     -3.034687      5.997617
  H      -4.597933     -0.943965      1.452559
  H      -3.681705     -1.452077      0.011625
  H      -3.177140     -0.012435      0.909518
  H      -2.025174     -0.097312      2.985486
  H      -1.847644     -1.570054      3.944730
  H      -3.477016     -0.835186      3.678813
  H      -1.426182     -2.539123      0.298836
  H      -0.890631     -1.042854      1.039623
  H      -0.770328     -3.682658      2.587344
  H       0.102639     -2.187028      2.927153
  H       1.339398     -2.506147      0.721555
  H      -0.285256     -4.233001     -0.266817
  H       0.307008     -5.366961      0.947806
  H       1.709148     -5.868761     -0.893346
  H       1.740573     -4.205981     -1.477848
  H       3.481687     -3.555711     -0.023758
  H       3.912748     -5.241417     -0.300441
  H       2.646106     -5.867712      1.803730
  H       3.995288     -4.785395      2.136595
  H       1.563753     -4.290015      3.166549
  H       2.595924     -2.953502      2.660559
  H      -5.843197     -2.958626      6.172014
  H      -5.729404     -2.153960      4.567676
  H      -7.258073     -2.163752      5.470710
  H      -8.350847     -4.314699      6.061484
  H      -6.845462     -5.200987      6.422142
  H      -7.983264     -5.816246      5.196262
  H      -8.691997     -3.324875      3.846303
  H      -8.080016     -4.678229      2.915255
  H      -7.170325     -1.755020      2.785226
  H      -6.185311     -3.052659      2.110828
  H      -7.601157     -1.846846      0.469217
  H      -9.625328     -1.530417      1.977946
  H     -10.014415     -3.229781      1.714796
  H     -10.110554     -0.915525     -0.257447
  H     -11.276478     -2.212362     -0.000772
  H     -10.343396     -2.889445     -2.063563
  H      -8.765062     -2.190650     -1.710706
  H      -9.877484     -4.695909     -0.343011
  H      -8.732635     -4.729873     -1.681789
  H      -6.936656     -3.911160     -0.368262
  H      -7.838654     -4.850101      0.824014
  H      -3.011301     -6.023646      7.979320
  H      -2.640363     -4.453695      7.290069
  H      -4.082143     -5.369703      6.721773
  H      -2.052938     -8.301884      5.374297
  H      -2.369726     -8.036016      7.093149
  H      -3.672764     -7.775687      5.905486
  H      -0.518601     -6.427498      7.324649
  H      -0.108285     -6.671212      5.631844
  H      -0.537726     -3.975896      7.034495
  H      -0.509945     -4.155716      5.265649
  H       1.771254     -5.088459      5.374744
  H       1.611295     -4.475707      8.369225
  H       1.741424     -6.090534      7.654824
  H       3.967541     -5.269583      8.441542
  H       3.958016     -5.545250      6.695711
  H       5.083808     -3.393738      7.185080
  H       3.680801     -2.828800      8.101272
  H       3.638657     -1.842871      5.823377
  H       3.745320     -3.451059      5.093706
  H       1.389747     -2.652585      5.060908
  H       1.424102     -2.411391      6.816660
  N      -3.311202     -2.848270      5.502926
  H      -3.570392     -1.877313      5.317968
  H      -2.308714     -2.856694      5.717644
  H      -3.793784     -3.132224      6.357662
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.128201921727
  N      -3.282835     -3.186474      2.222107
  C      -3.667421     -3.844011      0.956572
  C      -3.308827     -5.310575      1.011921
  N      -3.845441     -5.894245      2.268192
  C      -5.278016     -6.268361      2.141121
  C      -5.932134     -6.138125      3.504359
  N      -5.624234     -4.806598      4.060080
  Mo     -3.727374     -4.296245      3.840309
  N      -2.482688     -5.652129      4.626766
  C      -1.872395     -6.455842      3.553434
  C      -2.996949     -7.035946      2.712269
  H      -1.244077     -7.266832      3.945409
  H      -1.206392     -5.838370      2.925598
  H      -3.607977     -7.702835      3.334196
  H      -2.638784     -7.600578      1.835156
  H      -7.014584     -6.286229      3.384236
  H      -5.579203     -6.933789      4.184617
  H      -5.750705     -5.560154      1.447856
  H      -5.370824     -7.284327      1.722069
  H      -3.135338     -3.410488      0.097980
  H      -4.744465     -3.709440      0.748093
  H      -2.215371     -5.408052      1.038848
  H      -3.688109     -5.870773      0.140491
  C      -3.557836     -0.988388      1.086188
  C      -2.647157     -1.854993      1.977923
  C      -2.435979     -1.083659      3.278376
  C      -1.268902     -2.045381      1.288557
  C      -0.247178     -2.847542      2.092334
  C       0.947503     -3.358309      1.278649
  C       0.587531     -4.473981      0.291459
  C       1.769788     -4.795560     -0.645543
  C       3.133041     -4.580395      0.043730
  C       3.026159     -4.858875      1.543752
  C       2.063606     -3.861710      2.219797
  C      -6.394834     -2.748400      5.222408
  C      -6.816441     -4.061008      4.560491
  C      -7.548913     -4.903117      5.620491
  C      -7.788537     -3.744465      3.393689
  C      -7.246003     -2.767724      2.350972
  C      -8.044643     -2.699091      1.040272
  C      -9.533254     -2.393853      1.241625
  C     -10.211722     -2.043980     -0.099113
  C      -9.581187     -2.802963     -1.286626
  C      -9.030669     -4.156499     -0.834320
  C      -7.880508     -3.969446      0.175208
  C      -3.037691     -5.423413      7.054852
  C      -2.201371     -6.160293      6.000297
  C      -2.607954     -7.646554      6.106845
  C      -0.693935     -6.013359      6.329081
  C      -0.141306     -4.591907      6.213023
  C       1.387081     -4.492812      6.241434
  C       2.000328     -5.018838      7.546266
  C       3.527390     -4.894294      7.551520
  C       3.979125     -3.457257      7.278631
  C       3.370076     -2.923199      5.979179
  C       1.845063     -3.049705      5.989837
  H      -4.556323     -0.895288      1.538033
  H      -3.674402     -1.398397      0.074838
  H      -3.128050      0.018196      0.985252
  H      -1.932135     -0.133975      3.053937
  H      -1.798537     -1.630799      3.982984
  H      -3.402888     -0.836571      3.741478
  H      -1.426564     -2.520622      0.308092
  H      -0.863066     -1.044341      1.067533
  H      -0.748403     -3.714493      2.560547
  H       0.137629     -2.233269      2.923715
  H       1.343250     -2.508060      0.692615
  H      -0.298292     -4.211600     -0.307189
  H       0.309097     -5.370349      0.875980
  H       1.686075     -5.837626     -0.991730
  H       1.709425     -4.164667     -1.545955
  H       3.469636     -3.540841     -0.103354
  H       3.898084     -5.219569     -0.420751
  H       2.661117     -5.889810      1.687802
  H       4.014965     -4.815041      2.023973
  H       1.597441     -4.341569      3.096845
  H       2.623093     -2.994970      2.606408
  H      -5.881211     -2.937148      6.174514
  H      -5.753122     -2.145712      4.565027
  H      -7.290787     -2.154828      5.449564
  H      -8.368687     -4.315825      6.057690
  H      -6.858442     -5.189162      6.427400
  H      -7.987387     -5.818187      5.200744
  H      -8.712178     -3.343198      3.840506
  H      -8.083102     -4.690237      2.912038
  H      -7.210768     -1.755447      2.786116
  H      -6.201533     -3.037077      2.119284
  H      -7.621058     -1.854540      0.467369
  H      -9.662824     -1.568031      1.959338
  H     -10.023886     -3.272528      1.692651
  H     -10.141043     -0.960022     -0.279008
  H     -11.285610     -2.277665     -0.034584
  H     -10.320551     -2.931685     -2.090553
  H      -8.757455     -2.210232     -1.718143
  H      -9.845991     -4.735639     -0.369532
  H      -8.686346     -4.748610     -1.695346
  H      -6.917253     -3.910081     -0.359214
  H      -7.821587     -4.860160      0.822164
  H      -3.018807     -5.994823      7.992064
  H      -2.641582     -4.430092      7.292838
  H      -4.087443     -5.342797      6.732592
  H      -2.069638     -8.292697      5.401651
  H      -2.386410     -8.015034      7.118088
  H      -3.687542     -7.758179      5.928457
  H      -0.532456     -6.407755      7.344552
  H      -0.119975     -6.672454      5.655916
  H      -0.540849     -3.958979      7.026422
  H      -0.496456     -4.159060      5.260009
  H       1.777885     -5.116053      5.412762
  H       1.582748     -4.437976      8.389908
  H       1.711009     -6.068114      7.712035
  H       3.931234     -5.246535      8.513251
  H       3.944920     -5.558099      6.773775
  H       5.077968     -3.404174      7.236300
  H       3.664502     -2.811530      8.117677
  H       3.665253     -1.874499      5.818720
  H       3.771961     -3.498564      5.126436
  H       1.423828     -2.686074      5.038051
  H       1.431443     -2.404552      6.787277
  N      -3.337284     -2.848710      5.530418
  H      -3.593278     -1.876788      5.346383
  H      -2.337368     -2.858366      5.756210
  H      -3.829170     -3.135144      6.379037
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.128270026627
  N      -3.270762     -3.183114      2.217309
  C      -3.663240     -3.833709      0.950419
  C      -3.306069     -5.300587      0.997361
  N      -3.840825     -5.888950      2.252372
  C      -5.273034     -6.265457      2.126056
  C      -5.924883     -6.141328      3.490688
  N      -5.623198     -4.808992      4.048302
  Mo     -3.725851     -4.295530      3.830350
  N      -2.478613     -5.650324      4.610910
  C      -1.866112     -6.449346      3.535669
  C      -2.989235     -7.029399      2.693035
  H      -1.236933     -7.260676      3.925816
  H      -1.200271     -5.828736      2.910960
  H      -3.599163     -7.699225      3.312965
  H      -2.629849     -7.590713      1.814284
  H      -7.006926     -6.295020      3.373732
  H      -5.565915     -6.936226      4.168678
  H      -5.747374     -5.555734      1.435690
  H      -5.363898     -7.280306      1.703646
  H      -3.135325     -3.395710      0.091519
  H      -4.741101     -3.697142      0.748551
  H      -2.212813     -5.400205      1.021578
  H      -3.688566     -5.856703      0.124622
  C      -3.518402     -0.977757      1.091195
  C      -2.617800     -1.858994      1.977678
  C      -2.393159     -1.097052      3.281135
  C      -1.242239     -2.064010      1.287170
  C      -0.228214     -2.870089      2.096638
  C       0.967069     -3.390400      1.290780
  C       0.606768     -4.511791      0.310530
  C       1.790886     -4.842875     -0.620745
  C       3.152600     -4.623267      0.069942
  C       3.042625     -4.891880      1.571570
  C       2.078874     -3.889967      2.238976
  C      -6.399655     -2.758335      5.218993
  C      -6.817614     -4.070749      4.554751
  C      -7.540717     -4.920662      5.614747
  C      -7.797677     -3.752975      3.394293
  C      -7.267634     -2.765039      2.355712
  C      -8.075786     -2.689312      1.051309
  C      -9.563745     -2.390169      1.265636
  C     -10.252816     -2.031157     -0.067287
  C      -9.626012     -2.775251     -1.265883
  C      -9.069332     -4.131807     -0.830825
  C      -7.914639     -3.952129      0.174941
  C      -3.037784     -5.448862      7.043925
  C      -2.194777     -6.166244      5.981491
  C      -2.585010     -7.657435      6.073837
  C      -0.688492     -6.007030      6.310138
  C      -0.149070     -4.579977      6.202647
  C       1.378360     -4.467717      6.233876
  C       1.992308     -4.988851      7.540284
  C       3.518003     -4.850420      7.551502
  C       3.957147     -3.409175      7.280996
  C       3.348804     -2.880933      5.978987
  C       1.825057     -3.021055      5.982798
  H      -4.513107     -0.869122      1.547839
  H      -3.646541     -1.385530      0.080280
  H      -3.073531      0.022239      0.988837
  H      -1.862532     -0.160658      3.061907
  H      -1.774731     -1.663370      3.987417
  H      -3.354731     -0.824189      3.739845
  H      -1.404079     -2.540975      0.308215
  H      -0.828058     -1.067030      1.063279
  H      -0.737484     -3.731851      2.565538
  H       0.155723     -2.255512      2.927903
  H       1.367081     -2.545676      0.699611
  H      -0.277024     -4.251627     -0.292239
  H       0.324878     -5.403450      0.900561
  H       1.706998     -5.887848     -0.958035
  H       1.733326     -4.219792     -1.526775
  H       3.489285     -3.584623     -0.083328
  H       3.918715     -5.265216     -0.388904
  H       2.676738     -5.921693      1.721592
  H       4.030373     -4.845624      2.053695
  H       1.608916     -4.364454      3.117348
  H       2.637876     -3.021611      2.622755
  H      -5.888105     -2.946233      6.172409
  H      -5.757794     -2.153788      4.563630
  H      -7.297106     -2.166049      5.443736
  H      -8.361592     -4.339372      6.058084
  H      -6.845189     -5.206095      6.417522
  H      -7.976505     -5.836491      5.193697
  H      -8.720407     -3.359261      3.849672
  H      -8.091032     -4.696779      2.908370
  H      -7.235047     -1.756262      2.799121
  H      -6.223104     -3.025829      2.114672
  H      -7.658847     -1.839109      0.481873
  H      -9.690754     -1.571122      1.991487
  H     -10.048440     -3.274276      1.712576
  H     -10.189307     -0.945162     -0.237347
  H     -11.324980     -2.271414      0.001853
  H     -10.368772     -2.897242     -2.067733
  H      -8.806059     -2.175377     -1.694772
  H      -9.880601     -4.718121     -0.367948
  H      -8.727785     -4.713945     -1.699720
  H      -6.953777     -3.887826     -0.363291
  H      -7.852466     -4.848215      0.814123
  H      -3.015368     -6.032054      7.973737
  H      -2.649892     -4.455685      7.294597
  H      -4.088222     -5.372184      6.722514
  H      -2.039687     -8.290576      5.362226
  H      -2.359000     -8.033034      7.081453
  H      -3.663315     -7.779641      5.894616
  H      -0.522444     -6.406336      7.322960
  H      -0.109458     -6.656639      5.632035
  H      -0.554899     -3.955597      7.019685
  H      -0.507596     -4.143874      5.252357
  H       1.776341     -5.087839      5.406130
  H       1.566399     -4.412057      8.382683
  H       1.711647     -6.040653      7.704669
  H       3.921525     -5.199719      8.514425
  H       3.944477     -5.509710      6.774732
  H       5.055588     -3.345243      7.243871
  H       3.632122     -2.766732      8.118648
  H       3.635105     -1.829682      5.819229
  H       3.759521     -3.452969      5.128115
  H       1.405085     -2.661571      5.028924
  H       1.402048     -2.378704      6.777696
  N      -3.352651     -2.850931      5.524864
  H      -3.608973     -1.879462      5.338645
  H      -2.354506     -2.857660      5.758761
  H      -3.850891     -3.137479      6.369693
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.128300972448
  N      -3.272534     -3.171333      2.214951
  C      -3.672489     -3.817072      0.947994
  C      -3.315669     -5.284327      0.987573
  N      -3.844693     -5.876795      2.242961
  C      -5.277989     -6.250804      2.122971
  C      -5.923436     -6.130389      3.490769
  N      -5.620448     -4.798837      4.049822
  Mo     -3.722309     -4.289236      3.825823
  N      -2.474307     -5.646886      4.597206
  C      -1.866265     -6.442991      3.517609
  C      -2.992556     -7.019124      2.676522
  H      -1.234869     -7.255137      3.902283
  H      -1.202790     -5.820019      2.892682
  H      -3.601177     -7.690709      3.295916
  H      -2.636519     -7.577534      1.794505
  H      -7.005789     -6.284515      3.378273
  H      -5.561102     -6.926681      4.165476
  H      -5.754630     -5.537366      1.437833
  H      -5.372745     -7.263908      1.697123
  H      -3.150458     -3.375225      0.087478
  H      -4.751914     -3.680236      0.754107
  H      -2.222317     -5.384770      1.005803
  H      -3.703009     -5.837228      0.114840
  C      -3.516153     -0.964888      1.089224
  C      -2.618005     -1.847730      1.976728
  C      -2.394774     -1.084755      3.280193
  C      -1.241966     -2.055456      1.287476
  C      -0.228627     -2.855111      2.104331
  C       0.966354     -3.384677      1.304463
  C       0.604704     -4.515558      0.335695
  C       1.788490     -4.856793     -0.592463
  C       3.150357     -4.630552      0.095740
  C       3.040885     -4.884724      1.599908
  C       2.077234     -3.876418      2.257977
  C      -6.395256     -2.746290      5.215542
  C      -6.814384     -4.061461      4.557348
  C      -7.534143     -4.908468      5.622416
  C      -7.796710     -3.748402      3.397145
  C      -7.264178     -2.772769      2.347897
  C      -8.076534     -2.704841      1.045450
  C      -9.561912     -2.394792      1.262540
  C     -10.254031     -2.044599     -0.071200
  C      -9.635599     -2.803182     -1.264971
  C      -9.086130     -4.159125     -0.819137
  C      -7.926598     -3.977273      0.180682
  C      -3.032096     -5.452059      7.030432
  C      -2.190513     -6.168567      5.965904
  C      -2.583310     -7.659301      6.054898
  C      -0.683711     -6.012809      6.294384
  C      -0.142848     -4.585980      6.192644
  C       1.384966     -4.475482      6.226121
  C       1.995666     -5.000934      7.532449
  C       3.521402     -4.863795      7.547923
  C       3.961508     -3.421717      7.283830
  C       3.357478     -2.889753      5.981413
  C       1.833631     -3.028443      5.980557
  H      -4.510090     -0.851797      1.546555
  H      -3.646780     -1.374014      0.079125
  H      -3.068403      0.033581      0.984544
  H      -1.863045     -0.148770      3.061282
  H      -1.777971     -1.650220      3.988386
  H      -3.356323     -0.810492      3.737835
  H      -1.402815     -2.538845      0.311456
  H      -0.828793     -1.059362      1.057844
  H      -0.740145     -3.711376      2.580763
  H       0.154990     -2.233446      2.930366
  H       1.367531     -2.546592      0.704693
  H      -0.279263     -4.260824     -0.269164
  H       0.322723     -5.401233      0.934577
  H       1.704083     -5.905192     -0.918951
  H       1.731126     -4.243029     -1.504900
  H       3.486883     -3.593364     -0.067650
  H       3.916438     -5.276748     -0.357245
  H       2.675166     -5.913103      1.760166
  H       4.028860     -4.833880      2.081174
  H       1.606339     -4.342911      3.140301
  H       2.636419     -3.004848      2.634329
  H      -5.885585     -2.929165      6.170927
  H      -5.751417     -2.146881      4.557335
  H      -7.291806     -2.150543      5.434831
  H      -8.352110     -4.325787      6.069392
  H      -6.835036     -5.193610      6.422252
  H      -7.973320     -5.824314      5.204785
  H      -8.715456     -3.345083      3.852198
  H      -8.097790     -4.694211      2.920212
  H      -7.224858     -1.760235      2.782040
  H      -6.221498     -3.041242      2.105467
  H      -7.656821     -1.862697      0.466162
  H      -9.681358     -1.567991      1.980919
  H     -10.050045     -3.271636      1.719997
  H     -10.185437     -0.960573     -0.251831
  H     -11.327235     -2.278458      0.004132
  H     -10.381559     -2.927533     -2.063523
  H      -8.813122     -2.212361     -1.701622
  H      -9.899488     -4.735562     -0.347538
  H      -8.751654     -4.751895     -1.683634
  H      -6.967275     -3.924245     -0.361488
  H      -7.867835     -4.867557      0.828287
  H      -3.013837     -6.039377      7.957787
  H      -2.640014     -4.461491      7.285464
  H      -4.081912     -5.369185      6.708371
  H      -2.041368     -8.291932      5.340307
  H      -2.355061     -8.037852      7.060928
  H      -3.662488     -7.779255      5.878939
  H      -0.518285     -6.415660      7.305918
  H      -0.105878     -6.661239      5.614056
  H      -0.548659     -3.964812      7.012118
  H      -0.500715     -4.145288      5.244572
  H       1.783733     -5.093765      5.397264
  H       1.568153     -4.426238      8.375566
  H       1.713461     -6.052944      7.692955
  H       3.922562     -5.217196      8.510385
  H       3.949321     -5.520239      6.769482
  H       5.060079     -3.357176      7.251069
  H       3.632876     -2.782094      8.122307
  H       3.645173     -1.838364      5.824859
  H       3.769934     -3.460248      5.130183
  H       1.416875     -2.665579      5.026608
  H       1.408745     -2.387841      6.775946
  N      -3.348934     -2.850801      5.523550
  H      -3.610480     -1.879934      5.340676
  H      -2.350126     -2.852595      5.755121
  H      -3.843211     -3.141139      6.369595
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.128319926049
  N      -3.272242     -3.172750      2.211952
  C      -3.674859     -3.817226      0.945257
  C      -3.315893     -5.284072      0.982294
  N      -3.841379     -5.878364      2.238226
  C      -5.274560     -6.253862      2.121368
  C      -5.917591     -6.134362      3.490288
  N      -5.617659     -4.801545      4.048814
  Mo     -3.719748     -4.291760      3.822473
  N      -2.469626     -5.647324      4.590770
  C      -1.861129     -6.442304      3.510767
  C      -2.987104     -7.019503      2.669952
  H      -1.226791     -7.252530      3.894649
  H      -1.199592     -5.817622      2.885302
  H      -3.594287     -7.692898      3.288880
  H      -2.630873     -7.576274      1.786928
  H      -6.999659     -6.292068      3.380488
  H      -5.551224     -6.929399      4.164405
  H      -5.753609     -5.540639      1.437690
  H      -5.369273     -7.266825      1.695075
  H      -3.157236     -3.372551      0.083587
  H      -4.755505     -3.682860      0.755773
  H      -2.222338     -5.383177      0.997873
  H      -3.704481     -5.836795      0.109941
  C      -3.514046     -0.963832      1.088226
  C      -2.616650     -1.849590      1.974161
  C      -2.392641     -1.087359      3.278090
  C      -1.241751     -2.060059      1.283246
  C      -0.229593     -2.859761      2.101695
  C       0.963165     -3.396217      1.303222
  C       0.596389     -4.527305      0.336446
  C       1.778865     -4.875593     -0.590978
  C       3.141549     -4.653688      0.096990
  C       3.031076     -4.904931      1.601529
  C       2.071308     -3.891775      2.258044
  C      -6.399283     -2.756138      5.223655
  C      -6.813739     -4.070070      4.559919
  C      -7.530135     -4.924701      5.621426
  C      -7.796820     -3.754496      3.401124
  C      -7.268936     -2.765867      2.361541
  C      -8.077299     -2.693362      1.056719
  C      -9.566531     -2.400152      1.271280
  C     -10.257081     -2.043515     -0.061628
  C      -9.625347     -2.782432     -1.260721
  C      -9.064707     -4.137797     -0.827168
  C      -7.911516     -3.955714      0.179971
  C      -3.030785     -5.452745      7.022413
  C      -2.186038     -6.168974      5.959841
  C      -2.576296     -7.660447      6.049427
  C      -0.680171     -6.009866      6.289541
  C      -0.143406     -4.581666      6.188036
  C       1.384299     -4.466803      6.225812
  C       1.991821     -4.986093      7.536223
  C       3.517047     -4.844146      7.557236
  C       3.953093     -3.401257      7.290817
  C       3.352970     -2.876053      5.983922
  C       1.829550     -3.019283      5.977252
  H      -4.506565     -0.846839      1.547962
  H      -3.648805     -1.372729      0.078518
  H      -3.063584      0.033215      0.981809
  H      -1.861326     -0.150911      3.059635
  H      -1.775196     -1.652206      3.986282
  H      -3.353696     -0.813514      3.737193
  H      -1.404717     -2.545674      0.308645
  H      -0.827560     -1.065031      1.050509
  H      -0.744172     -3.712435      2.581618
  H       0.156097     -2.236388      2.925549
  H       1.368505     -2.561273      0.701844
  H      -0.286431     -4.269652     -0.268874
  H       0.310395     -5.410797      0.936676
  H       1.689952     -5.924366     -0.915266
  H       1.724487     -4.263593     -1.504851
  H       3.482305     -3.618085     -0.068141
  H       3.905118     -5.303599     -0.355054
  H       2.661418     -5.931664      1.763605
  H       4.019338     -4.857275      2.082649
  H       1.597634     -4.355391      3.140388
  H       2.633761     -3.022099      2.634208
  H      -5.891217     -2.940370      6.179583
  H      -5.755815     -2.153335      4.568110
  H      -7.297573     -2.162794      5.442674
  H      -8.348804     -4.347248      6.073960
  H      -6.828615     -5.212868      6.418181
  H      -7.967792     -5.839114      5.198848
  H      -8.718552     -3.360281      3.858240
  H      -8.092108     -4.697864      2.915954
  H      -7.239594     -1.756842      2.804629
  H      -6.223177     -3.022919      2.120124
  H      -7.663892     -1.841544      0.487102
  H      -9.696948     -1.581676      1.997374
  H     -10.047653     -3.286207      1.718398
  H     -10.199901     -0.956895     -0.230656
  H     -11.327990     -2.289966      0.006740
  H     -10.366175     -2.904955     -2.064382
  H      -8.806611     -2.178637     -1.686665
  H      -9.874613     -4.727124     -0.365515
  H      -8.720687     -4.718080     -1.696434
  H      -6.949975     -3.888038     -0.356758
  H      -7.847591     -4.852077      0.818732
  H      -3.013091     -6.039125      7.950473
  H      -2.640554     -4.461116      7.276888
  H      -4.080438     -5.371992      6.699142
  H      -2.034384     -8.293004      5.334640
  H      -2.346262     -8.038237      7.055395
  H      -3.655644     -7.782240      5.875197
  H      -0.515112     -6.411884      7.301511
  H      -0.100023     -6.657447      5.610308
  H      -0.553198     -3.961158      7.006000
  H      -0.500698     -4.142520      5.239231
  H       1.787576     -5.086665      5.400289
  H       1.559243     -4.409986      8.375866
  H       1.711957     -6.038436      7.699053
  H       3.915753     -5.193824      8.522146
  H       3.950217     -5.501267      6.782195
  H       5.051586     -3.332274      7.263239
  H       3.617724     -2.760271      8.125674
  H       3.638247     -1.824397      5.824349
  H       3.770514     -3.448623      5.136442
  H       1.415919     -2.661106      5.020090
  H       1.399066     -2.376917      6.768260
  N      -3.350181     -2.852360      5.519624
  H      -3.614518     -1.882446      5.335288
  H      -2.351598     -2.850563      5.752421
  H      -3.844132     -3.142708      6.365950
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.128329673894
  N      -3.265051     -3.165879      2.217181
  C      -3.672421     -3.804374      0.948914
  C      -3.315868     -5.272154      0.979757
  N      -3.840655     -5.869859      2.234392
  C      -5.274157     -6.244478      2.117703
  C      -5.916176     -6.127956      3.487435
  N      -5.617568     -4.795344      4.048082
  Mo     -3.718714     -4.287554      3.823789
  N      -2.469813     -5.645553      4.587152
  C      -1.860886     -6.438211      3.505654
  C      -2.986749     -7.012571      2.662727
  H      -1.226853     -7.249277      3.888397
  H      -1.198779     -5.812528      2.881748
  H      -3.594116     -7.688089      3.279212
  H      -2.630310     -7.566561      1.778058
  H      -6.998005     -6.287449      3.378419
  H      -5.547691     -6.923723      4.159589
  H      -5.753936     -5.529368      1.436411
  H      -5.369754     -7.256222      1.688776
  H      -3.157701     -3.356430      0.087305
  H      -4.753650     -3.668643      0.763721
  H      -2.222481     -5.373141      0.993399
  H      -3.706531     -5.821102      0.105992
  C      -3.497108     -0.948881      1.105234
  C      -2.602634     -1.845188      1.983750
  C      -2.370628     -1.090270      3.290375
  C      -1.231272     -2.060835      1.287312
  C      -0.220043     -2.866623      2.101238
  C       0.969823     -3.404993      1.299616
  C       0.598077     -4.530158      0.327618
  C       1.778913     -4.879167     -0.601837
  C       3.142671     -4.665013      0.086429
  C       3.032200     -4.923026      1.589803
  C       2.076095     -3.909846      2.251810
  C      -6.402132     -2.751237      5.223318
  C      -6.814637     -4.066420      4.560417
  C      -7.527740     -4.922090      5.623371
  C      -7.799688     -3.753972      3.402703
  C      -7.275703     -2.764864      2.361618
  C      -8.084956     -2.697825      1.057000
  C      -9.575170     -2.409398      1.271825
  C     -10.267873     -2.058120     -0.061534
  C      -9.632496     -2.795356     -1.259698
  C      -9.067506     -4.148434     -0.824618
  C      -7.915378     -3.961652      0.183066
  C      -3.033336     -5.456447      7.018399
  C      -2.186672     -6.169848      5.955338
  C      -2.576042     -7.661714      6.041311
  C      -0.681310     -6.010155      6.285598
  C      -0.145976     -4.581268      6.186079
  C       1.381585     -4.464326      6.227900
  C       1.985521     -4.978188      7.542190
  C       3.510441     -4.833538      7.568106
  C       3.944674     -3.390622      7.298526
  C       3.348587     -2.871307      5.987434
  C       1.825384     -3.017070      5.975579
  H      -4.486800     -0.826144      1.569703
  H      -3.639395     -1.352118      0.094285
  H      -3.039690      0.045225      1.001169
  H      -1.833098     -0.156620      3.075059
  H      -1.756036     -1.661997      3.995624
  H      -3.329042     -0.811486      3.752371
  H      -1.400674     -2.544730      0.312962
  H      -0.813326     -1.067548      1.053674
  H      -0.737155     -3.718342      2.580261
  H       0.169167     -2.246511      2.926007
  H       1.378702     -2.569129      0.701936
  H      -0.283712     -4.265976     -0.276355
  H       0.308464     -5.415317      0.923628
  H       1.685975     -5.926376     -0.930104
  H       1.726626     -4.263544     -1.513409
  H       3.486868     -3.629788     -0.074020
  H       3.903824     -5.315302     -0.369194
  H       2.659278     -5.949323      1.747168
  H       4.020959     -4.880960      2.070462
  H       1.600561     -4.376528      3.131443
  H       2.641523     -3.044262      2.633046
  H      -5.892881     -2.933979      6.178967
  H      -5.760347     -2.147720      4.566632
  H      -7.301224     -2.159340      5.442994
  H      -8.346787     -4.346566      6.077660
  H      -6.823867     -5.208607      6.418694
  H      -7.964205     -5.837489      5.201686
  H      -8.721955     -3.361631      3.860421
  H      -8.093412     -4.698377      2.918472
  H      -7.249955     -1.755035      2.803112
  H      -6.229136     -3.018213      2.120035
  H      -7.674897     -1.845865      0.485227
  H      -9.708041     -1.589718      1.996153
  H     -10.052879     -3.296097      1.721332
  H     -10.216668     -0.971437     -0.232156
  H     -11.337449     -2.310247      0.007333
  H     -10.372272     -2.920935     -2.063882
  H      -8.815564     -2.188912     -1.685379
  H      -9.875772     -4.739903     -0.362778
  H      -8.721186     -4.728517     -1.693120
  H      -6.953477     -3.892873     -0.352877
  H      -7.849975     -4.856516      0.823799
  H      -3.014338     -6.043597      7.946041
  H      -2.645416     -4.464271      7.273821
  H      -4.083133     -5.377936      6.695134
  H      -2.034153     -8.292563      5.324926
  H      -2.345578     -8.041778      7.046364
  H      -3.655427     -7.783521      5.867210
  H      -0.516179     -6.413795      7.296947
  H      -0.100367     -6.656098      5.605473
  H      -0.558580     -3.961511      7.003187
  H      -0.501889     -4.142239      5.236714
  H       1.788163     -5.086344      5.405721
  H       1.549041     -4.400027      8.378379
  H       1.706771     -6.030478      7.707523
  H       3.906321     -5.179410      8.535573
  H       3.947681     -5.492403      6.796827
  H       5.043126     -3.319275      7.275136
  H       3.604538     -2.747496      8.129829
  H       3.632787     -1.819787      5.824879
  H       3.770106     -3.446359      5.143598
  H       1.415123     -2.663576      5.015086
  H       1.390557     -2.372085      6.762056
  N      -3.355636     -2.851286      5.524730
  H      -3.615309     -1.880508      5.338363
  H      -2.358828     -2.852914      5.764861
  H      -3.856903     -3.139780      6.367364
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.128333028054
  N      -3.264827     -3.167717      2.214625
  C      -3.675303     -3.805938      0.947301
  C      -3.318897     -5.273811      0.977602
  N      -3.842025     -5.870974      2.233077
  C      -5.275750     -6.245244      2.118392
  C      -5.916097     -6.127719      3.488843
  N      -5.617927     -4.794126      4.047962
  Mo     -3.718919     -4.287815      3.822093
  N      -2.469943     -5.645759      4.584312
  C      -1.861375     -6.438985      3.502947
  C      -2.987763     -7.013691      2.660877
  H      -1.227093     -7.249631      3.886084
  H      -1.199750     -5.813756      2.878156
  H      -3.594574     -7.689387      3.277667
  H      -2.631795     -7.567647      1.776026
  H      -6.997899     -6.288437      3.381241
  H      -5.545968     -6.922552      4.161174
  H      -5.756377     -5.530450      1.437402
  H      -5.372313     -7.257153      1.690133
  H      -3.163170     -3.357727      0.084353
  H      -4.757041     -3.670533      0.764983
  H      -2.225543     -5.375070      0.989704
  H      -3.710896     -5.822772      0.104481
  C      -3.495651     -0.951637      1.100789
  C      -2.601522     -1.847742      1.979875
  C      -2.368847     -1.091555      3.285519
  C      -1.230645     -2.064605      1.282768
  C      -0.216860     -2.865684      2.098131
  C       0.973664     -3.403935      1.297355
  C       0.604526     -4.532498      0.328308
  C       1.786042     -4.881104     -0.600426
  C       3.149396     -4.661203      0.086746
  C       3.040225     -4.915697      1.590781
  C       2.081224     -3.903858      2.250596
  C      -6.403392     -2.750727      5.224076
  C      -6.815200     -4.066153      4.561201
  C      -7.526786     -4.922399      5.624607
  C      -7.801057     -3.754138      3.404296
  C      -7.278287     -2.764511      2.363035
  C      -8.088640     -2.697118      1.059130
  C      -9.578689     -2.408836      1.275268
  C     -10.272631     -2.057194     -0.057403
  C      -9.637363     -2.792867     -1.256523
  C      -9.072181     -4.146330     -0.822978
  C      -7.919713     -3.960494      0.184515
  C      -3.033436     -5.455658      7.015607
  C      -2.186961     -6.169623      5.952915
  C      -2.577542     -7.661063      6.038993
  C      -0.681554     -6.011049      6.283550
  C      -0.144952     -4.582482      6.185280
  C       1.382487     -4.466108      6.229716
  C       1.983618     -4.979170      7.545571
  C       3.508494     -4.834894      7.574433
  C       3.943517     -3.392220      7.304807
  C       3.350430     -2.873702      5.992046
  C       1.827200     -3.019152      5.976951
  H      -4.485134     -0.827708      1.565352
  H      -3.638556     -1.355347      0.090129
  H      -3.037412      0.041979      0.995911
  H      -1.830371     -0.158736      3.069163
  H      -1.755175     -1.662631      3.992236
  H      -3.327193     -0.811123      3.746568
  H      -1.401151     -2.552894      0.310858
  H      -0.814274     -1.071893      1.044073
  H      -0.731660     -3.716594      2.580888
  H       0.171935     -2.241715      2.920168
  H       1.380709     -2.568721      0.697557
  H      -0.277912     -4.272081     -0.276303
  H       0.317233     -5.416824      0.926621
  H       1.695831     -5.929532     -0.925450
  H       1.731890     -4.268476     -1.513869
  H       3.490508     -3.625441     -0.076525
  H       3.912262     -5.310420     -0.367495
  H       2.670615     -5.942736      1.750922
  H       4.029025     -4.869303      2.070903
  H       1.606854     -4.370091      3.131047
  H       2.644145     -3.036018      2.630276
  H      -5.893932     -2.933367      6.179570
  H      -5.762101     -2.146776      4.567337
  H      -7.302762     -2.159525      5.444302
  H      -8.345525     -4.347513      6.080186
  H      -6.821677     -5.208780      6.418844
  H      -7.963252     -5.837867      5.203147
  H      -8.723291     -3.362321      3.862502
  H      -8.094648     -4.698590      2.920059
  H      -7.252546     -1.754832      2.804816
  H      -6.231846     -3.017371      2.120436
  H      -7.679180     -1.844928      0.487311
  H      -9.710922     -1.589355      1.999879
  H     -10.055949     -3.295624      1.724996
  H     -10.222812     -0.970357     -0.227240
  H     -11.341852     -2.310593      0.011932
  H     -10.377267     -2.917605     -2.060688
  H      -8.820611     -2.185850     -1.681659
  H      -9.880292     -4.738141     -0.361367
  H      -8.726228     -4.725661     -1.692099
  H      -6.957903     -3.891713     -0.351558
  H      -7.854497     -4.855696      0.824730
  H      -3.014130     -6.042197      7.943635
  H      -2.645528     -4.463478      7.270431
  H      -4.083193     -5.377400      6.692365
  H      -2.036406     -8.292486      5.322628
  H      -2.347212     -8.041214      7.044037
  H      -3.657026     -7.781918      5.865167
  H      -0.516817     -6.415720      7.294564
  H      -0.100862     -6.656848      5.603118
  H      -0.558504     -3.962694      7.001895
  H      -0.499197     -4.143111      5.235424
  H       1.790288     -5.088897      5.408833
  H       1.545646     -4.400261      8.380395
  H       1.704206     -6.031240      7.711099
  H       3.902317     -5.180229      8.542901
  H       3.947180     -5.494357      6.804533
  H       5.041991     -3.320936      7.283897
  H       3.601536     -2.748550      8.134893
  H       3.635308     -1.822426      5.829267
  H       3.773522     -3.449484      5.149566
  H       1.419327     -2.666653      5.015119
  H       1.390685     -2.373210      6.761649
  N      -3.356831     -2.849074      5.521279
  H      -3.616824     -1.878865      5.332683
  H      -2.360222     -2.849648      5.762031
  H      -3.858648     -3.136138      6.364026
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.128335184956
  N      -3.264619     -3.165094      2.213282
  C      -3.676886     -3.801897      0.945823
  C      -3.319769     -5.269693      0.973737
  N      -3.841022     -5.868475      2.229184
  C      -5.274845     -6.242784      2.116063
  C      -5.913494     -6.126632      3.487450
  N      -5.616173     -4.792827      4.047121
  Mo     -3.717361     -4.286661      3.819960
  N      -2.467348     -5.645068      4.578984
  C      -1.859055     -6.437010      3.496425
  C      -2.985813     -7.011514      2.654648
  H      -1.224201     -7.247656      3.878550
  H      -1.198483     -5.810866      2.871529
  H      -3.591660     -7.688533      3.270871
  H      -2.630145     -7.564012      1.768798
  H      -6.995233     -6.288551      3.380766
  H      -5.541702     -6.921485      4.158775
  H      -5.756574     -5.527476      1.436425
  H      -5.372087     -7.254295      1.687068
  H      -3.166637     -3.352290      0.082527
  H      -4.758969     -3.666885      0.765485
  H      -2.226345     -5.370513      0.984418
  H      -3.712491     -5.817694      0.100367
  C      -3.490987     -0.947893      1.100411
  C      -2.599007     -1.846188      1.979445
  C      -2.365135     -1.091298      3.285588
  C      -1.228472     -2.065641      1.282858
  C      -0.216255     -2.867443      2.099259
  C       0.973562     -3.409156      1.300035
  C       0.603069     -4.537009      0.330769
  C       1.785136     -4.888890     -0.595992
  C       3.148013     -4.671880      0.093055
  C       3.036176     -4.925585      1.597045
  C       2.078315     -3.911595      2.255168
  C      -6.403618     -2.751019      5.224950
  C      -6.814038     -4.066629      4.561549
  C      -7.523906     -4.924125      5.624962
  C      -7.800688     -3.755179      3.405350
  C      -7.278916     -2.765863      2.363217
  C      -8.090769     -2.698286      1.060289
  C      -9.580309     -2.408637      1.277984
  C     -10.275652     -2.057104     -0.054046
  C      -9.641801     -2.792999     -1.253740
  C      -9.077380     -4.146917     -0.820678
  C      -7.923863     -3.961947      0.185775
  C      -3.031741     -5.458060      7.010213
  C      -2.184336     -6.170125      5.947181
  C      -2.573529     -7.661919      6.031451
  C      -0.679177     -6.010300      6.278336
  C      -0.144571     -4.580688      6.184129
  C       1.382459     -4.461706      6.229600
  C       1.983900     -4.977618      7.544137
  C       3.508471     -4.830430      7.574074
  C       3.940738     -3.386048      7.309135
  C       3.347308     -2.864557      5.997685
  C       1.824366     -3.013113      5.981318
  H      -4.480959     -0.823429      1.563712
  H      -3.633003     -1.349573      0.088845
  H      -3.031136      0.045215      0.997880
  H      -1.824732     -0.159458      3.070000
  H      -1.753121     -1.663708      3.992769
  H      -3.323269     -0.809173      3.745976
  H      -1.400039     -2.555303      0.311819
  H      -0.810297     -1.074118      1.042514
  H      -0.732534     -3.716612      2.583411
  H       0.173806     -2.242774      2.920181
  H       1.383725     -2.575121      0.700722
  H      -0.277721     -4.274546     -0.275342
  H       0.312663     -5.420427      0.928907
  H       1.692908     -5.937276     -0.920496
  H       1.733813     -4.276716     -1.509870
  H       3.491731     -3.636996     -0.070110
  H       3.910010     -5.323019     -0.359850
  H       2.664284     -5.951800      1.757038
  H       4.024389     -4.880948      2.078486
  H       1.601200     -4.376806      3.134713
  H       2.642497     -3.045141      2.636010
  H      -5.893831     -2.933827      6.180211
  H      -5.763122     -2.145892      4.568583
  H      -7.303639     -2.161211      5.446067
  H      -8.342433     -4.350031      6.081874
  H      -6.817612     -5.210535      6.418086
  H      -7.960225     -5.839590      5.203441
  H      -8.722802     -3.363512      3.863897
  H      -8.094200     -4.699901      2.921548
  H      -7.252345     -1.756086      2.804700
  H      -6.232858     -3.019215      2.119399
  H      -7.681313     -1.846587      0.487735
  H      -9.710880     -1.588641      2.002257
  H     -10.057769     -3.294749      1.728774
  H     -10.226132     -0.970312     -0.224066
  H     -11.344750     -2.310630      0.016409
  H     -10.382379     -2.917086     -2.057357
  H      -8.824904     -2.186563     -1.679372
  H      -9.885583     -4.737901     -0.358224
  H      -8.732763     -4.726653     -1.690034
  H      -6.962486     -3.894178     -0.351165
  H      -7.858957     -4.857052      0.826102
  H      -3.011467     -6.045007      7.937945
  H      -2.645322     -4.465499      7.265604
  H      -4.081483     -5.381106      6.686759
  H      -2.031627     -8.291916      5.314477
  H      -2.343035     -8.042995      7.036107
  H      -3.652812     -7.783599      5.857239
  H      -0.513726     -6.417857      7.288084
  H      -0.097510     -6.653111      5.595933
  H      -0.559567     -3.963683      7.002140
  H      -0.499157     -4.139539      5.235171
  H       1.791823     -5.081192      5.407017
  H       1.544433     -4.402044      8.380434
  H       1.706470     -6.030715      7.706328
  H       3.902541     -5.177990      8.541619
  H       3.948785     -5.486610      6.802335
  H       5.039049     -3.312451      7.289103
  H       3.596960     -2.745735      8.141044
  H       3.630187     -1.812248      5.838330
  H       3.771922     -3.436854      5.153644
  H       1.416329     -2.658769      5.020261
  H       1.386099     -2.370395      6.767648
  N      -3.355364     -2.847633      5.519161
  H      -3.617808     -1.878112      5.330488
  H      -2.358465     -2.845716      5.758566
  H      -3.855591     -3.135691      6.362485
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.128335575501
  N      -3.265081     -3.165545      2.212572
  C      -3.677299     -3.802843      0.945362
  C      -3.319892     -5.270586      0.973545
  N      -3.841050     -5.869202      2.229069
  C      -5.274944     -6.243194      2.116112
  C      -5.913480     -6.126768      3.487486
  N      -5.615898     -4.792991      4.046998
  Mo     -3.717132     -4.287064      3.819551
  N      -2.467170     -5.645627      4.578638
  C      -1.859106     -6.437953      3.496296
  C      -2.986022     -7.012369      2.654571
  H      -1.224559     -7.248739      3.878680
  H      -1.198458     -5.812034      2.871301
  H      -3.592025     -7.689251      3.270788
  H      -2.630433     -7.564926      1.768722
  H      -6.995258     -6.288431      3.380746
  H      -5.541838     -6.921598      4.158909
  H      -5.756535     -5.527918      1.436352
  H      -5.372521     -7.254798      1.687364
  H      -3.167151     -3.353455      0.081879
  H      -4.759390     -3.667936      0.764971
  H      -2.226450     -5.371232      0.984239
  H      -3.712530     -5.818794      0.100239
  C      -3.491635     -0.949036      1.098430
  C      -2.599575     -1.846642      1.978071
  C      -2.365954     -1.090882      3.283780
  C      -1.228883     -2.066094      1.281712
  C      -0.216144     -2.866293      2.098915
  C       0.973808     -3.408357      1.300092
  C       0.603746     -4.537086      0.331745
  C       1.785987     -4.889335     -0.594640
  C       3.148766     -4.671395      0.094289
  C       3.036916     -4.923879      1.598492
  C       2.078658     -3.909676      2.255702
  C      -6.402640     -2.751264      5.225148
  C      -6.813561     -4.066745      4.561769
  C      -7.523197     -4.924226      5.625374
  C      -7.800505     -3.755141      3.405809
  C      -7.279092     -2.765338      2.363975
  C      -8.090914     -2.697485      1.061076
  C      -9.580548     -2.408370      1.278772
  C     -10.275971     -2.056722     -0.053183
  C      -9.641752     -2.791943     -1.253085
  C      -9.076858     -4.145809     -0.820451
  C      -7.923443     -3.960700      0.186060
  C      -3.031831     -5.457820      7.009707
  C      -2.184573     -6.170479      5.946969
  C      -2.573965     -7.662241      6.031456
  C      -0.679467     -6.010839      6.278361
  C      -0.144870     -4.581268      6.184124
  C       1.382143     -4.462217      6.229545
  C       1.983820     -4.978207      7.543939
  C       3.508381     -4.830804      7.573671
  C       3.940411     -3.386349      7.308867
  C       3.346746     -2.864721      5.997588
  C       1.823826     -3.013542      5.981351
  H      -4.482209     -0.825751      1.560752
  H      -3.632152     -1.350489      0.086571
  H      -3.032580      0.044536      0.996746
  H      -1.826247     -0.158773      3.067550
  H      -1.753382     -1.662470      3.990995
  H      -3.324197     -0.809228      3.744222
  H      -1.400212     -2.557061      0.311256
  H      -0.811170     -1.074661      1.040198
  H      -0.731730     -3.715178      2.584332
  H       0.173951     -2.240386      2.918878
  H       1.383775     -2.574655      0.700157
  H      -0.277082     -4.275401     -0.274655
  H       0.313633     -5.420113      0.930612
  H       1.694096     -5.938016     -0.918310
  H       1.734507     -4.277888     -1.509003
  H       3.492217     -3.636551     -0.069723
  H       3.910946     -5.322746     -0.358002
  H       2.665390     -5.950100      1.759321
  H       4.025095     -4.878440      2.079942
  H       1.601584     -4.374358      3.135555
  H       2.642554     -3.042756      2.635936
  H      -5.891829     -2.934388      6.179864
  H      -5.762849     -2.145827      4.568444
  H      -7.302561     -2.161721      5.447401
  H      -8.341359     -4.349841      6.082592
  H      -6.816681     -5.210879      6.418225
  H      -7.959972     -5.839557      5.204028
  H      -8.722734     -3.363934      3.864510
  H      -8.093654     -4.699837      2.921715
  H      -7.252738     -1.755696      2.805794
  H      -6.233014     -3.018443      2.120068
  H      -7.681655     -1.845398      0.488929
  H      -9.711359     -1.588570      2.003238
  H     -10.057764     -3.294749      1.729309
  H     -10.226976     -0.969844     -0.222829
  H     -11.344945     -2.310837      0.017123
  H     -10.382240     -2.916037     -2.056793
  H      -8.825044     -2.185045     -1.678438
  H      -9.884858     -4.737226     -0.358181
  H      -8.732002     -4.725138     -1.689987
  H      -6.962121     -3.892234     -0.350911
  H      -7.858072     -4.856048      0.826028
  H      -3.011610     -6.044356      7.937688
  H      -2.645184     -4.465185      7.264677
  H      -4.081555     -5.380727      6.686126
  H      -2.031746     -8.292360      5.314795
  H      -2.343956     -8.043170      7.036274
  H      -3.653181     -7.783864      5.856730
  H      -0.514093     -6.418450      7.288092
  H      -0.097757     -6.653610      5.595923
  H      -0.559953     -3.964196      7.002017
  H      -0.499429     -4.140317      5.235065
  H       1.791586     -5.081539      5.406858
  H       1.544405     -4.402757      8.380364
  H       1.706587     -6.031360      7.706064
  H       3.902646     -5.178384      8.541138
  H       3.948657     -5.486836      6.801775
  H       5.038721     -3.312662      7.288662
  H       3.596688     -2.746208      8.140939
  H       3.629426     -1.812329      5.838435
  H       3.771395     -3.436803      5.153402
  H       1.415594     -2.659201      5.020380
  H       1.385566     -2.371022      6.767858
  N      -3.355294     -2.847584      5.518619
  H      -3.617593     -1.878105      5.329473
  H      -2.358507     -2.845747      5.758500
  H      -3.856030     -3.135442      6.361738
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655501-uzlb/orca E -5894.128335931168
  N      -3.265321     -3.164972      2.212564
  C      -3.677699     -3.802302      0.945426
  C      -3.319942     -5.269975      0.973305
  N      -3.840831     -5.868972      2.228763
  C      -5.274734     -6.242991      2.116006
  C      -5.913079     -6.126752      3.487445
  N      -5.615586     -4.792988      4.046954
  Mo     -3.716881     -4.286929      3.819408
  N      -2.466812     -5.645680      4.578150
  C      -1.858790     -6.438001      3.495841
  C      -2.985711     -7.012189      2.653928
  H      -1.224517     -7.248956      3.878320
  H      -1.198005     -5.812037      2.871046
  H      -3.591774     -7.689249      3.269902
  H      -2.630094     -7.564415      1.767875
  H      -6.994857     -6.288427      3.380770
  H      -5.541312     -6.921549      4.158834
  H      -5.756394     -5.527719      1.436295
  H      -5.372372     -7.254624      1.687293
  H      -3.167800     -3.352763      0.081845
  H      -4.759827     -3.667455      0.765238
  H      -2.226486     -5.370406      0.983863
  H      -3.712570     -5.818106      0.099922
  C      -3.491236     -0.948549      1.098248
  C      -2.599369     -1.846305      1.977900
  C      -2.365495     -1.090616      3.283653
  C      -1.228802     -2.066264      1.281423
  C      -0.215922     -2.865886      2.098963
  C       0.973831     -3.408556      1.300143
  C       0.603509     -4.537601      0.332297
  C       1.785618     -4.890383     -0.594076
  C       3.148515     -4.672386      0.094579
  C       3.036811     -4.924255      1.598903
  C       2.078721     -3.909686      2.255817
  C      -6.402611     -2.751352      5.225147
  C      -6.813356     -4.066872      4.561767
  C      -7.522822     -4.924510      5.625391
  C      -7.800478     -3.755421      3.405832
  C      -7.279551     -2.765067      2.364302
  C      -8.091359     -2.697220      1.061411
  C      -9.581115     -2.408786      1.279124
  C     -10.276733     -2.057322     -0.052786
  C      -9.642034     -2.791879     -1.252827
  C      -9.076518     -4.145591     -0.820497
  C      -7.923226     -3.960120      0.186074
  C      -3.031842     -5.457774      7.009130
  C      -2.184539     -6.170579      5.946524
  C      -2.573966     -7.662346      6.031061
  C      -0.679445     -6.011005      6.278160
  C      -0.144856     -4.581449      6.183943
  C       1.382159     -4.462369      6.229596
  C       1.983728     -4.978063      7.544162
  C       3.508273     -4.830454      7.574112
  C       3.940161     -3.386009      7.309128
  C       3.346675     -2.864661      5.997667
  C       1.823786     -3.013720      5.981109
  H      -4.482314     -0.826314      1.559774
  H      -3.630500     -1.349243      0.085901
  H      -3.032657      0.045382      0.997874
  H      -1.825355     -0.158736      3.067417
  H      -1.753158     -1.662584      3.990682
  H      -3.323606     -0.808553      3.744145
  H      -1.400323     -2.557891      0.311313
  H      -0.811028     -1.075011      1.039240
  H      -0.731261     -3.714479      2.585240
  H       0.174579     -2.239460      2.918340
  H       1.383885     -2.575132      0.699854
  H      -0.277340     -4.276056     -0.274130
  H       0.313373     -5.420357      0.931571
  H       1.693550     -5.939191     -0.917325
  H       1.734080     -4.279269     -1.508670
  H       3.492113     -3.637652     -0.069894
  H       3.910526     -5.324075     -0.357527
  H       2.665205     -5.950385      1.760168
  H       4.025059     -4.878696      2.080214
  H       1.601629     -4.374009      3.135846
  H       2.642775     -3.042713      2.635735
  H      -5.891523     -2.934469      6.179728
  H      -5.763144     -2.145576      4.568447
  H      -7.302706     -2.162169      5.447728
  H      -8.341021     -4.350104      6.082545
  H      -6.816300     -5.211075      6.418282
  H      -7.959553     -5.839909      5.204129
  H      -8.722958     -3.364859      3.864582
  H      -8.093036     -4.700165      2.921487
  H      -7.253635     -1.755542      2.806428
  H      -6.233368     -3.017693      2.120340
  H      -7.682405     -1.844781      0.489554
  H      -9.712236     -1.589100      2.003678
  H     -10.057956     -3.295423      1.729577
  H     -10.228495     -0.970367     -0.222198
  H     -11.345534     -2.312230      0.017437
  H     -10.382392     -2.916109     -2.056645
  H      -8.825564     -2.184459     -1.677921
  H      -9.884260     -4.737495     -0.358370
  H      -8.731349     -4.724556     -1.690158
  H      -6.961951     -3.890998     -0.350914
  H      -7.857345     -4.855616      0.825812
  H      -3.011539     -6.044149      7.937212
  H      -2.645236     -4.465059      7.263892
  H      -4.081591     -5.380692      6.685530
  H      -2.031200     -8.292475      5.314803
  H      -2.344601     -8.043149      7.036067
  H      -3.653067     -7.784059      5.855594
  H      -0.514134     -6.418682      7.287872
  H      -0.097683     -6.653717      5.595672
  H      -0.560110     -3.964289      7.001661
  H      -0.499242     -4.140650      5.234755
  H       1.791846     -5.081817      5.407104
  H       1.544139     -4.402488      8.380432
  H       1.706613     -6.031222      7.706467
  H       3.902438     -5.177769      8.541724
  H       3.948731     -5.486583      6.802387
  H       5.038479     -3.312252      7.289056
  H       3.596250     -2.745766      8.141056
  H       3.629206     -1.812227      5.838467
  H       3.771647     -3.436799      5.153658
  H       1.415671     -2.659698      5.019965
  H       1.385291     -2.371094      6.767421
  N      -3.355351     -2.847299      5.518665
  H      -3.617742     -1.877889      5.329278
  H      -2.358651     -2.845383      5.758915
  H      -3.856431     -3.135270      6.361530
