123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.217056505739
  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
  N      -3.173573     -1.719627      5.798993
  H      -2.698413     -1.847684      6.692522
  H      -3.538284     -0.791409      5.584597
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.240897392777
  N      -3.331491     -3.169566      1.920573
  C      -3.626017     -3.965553      0.710373
  C      -3.217075     -5.421516      0.916666
  N      -3.720910     -5.896535      2.224576
  C      -5.158064     -6.257701      2.150090
  C      -5.792262     -6.037082      3.526462
  N      -5.458073     -4.687071      4.029943
  Mo     -3.521196     -4.217468      3.671219
  N      -2.271984     -5.562454      4.586521
  C      -1.717557     -6.403218      3.527389
  C      -2.882097     -7.016679      2.717700
  H      -1.066371     -7.212431      3.888512
  H      -1.098937     -5.786961      2.853103
  H      -3.482488     -7.631485      3.394479
  H      -2.529873     -7.650823      1.887607
  H      -6.872749     -6.207818      3.426772
  H      -5.419468     -6.807268      4.227591
  H      -5.641478     -5.574666      1.443281
  H      -5.299881     -7.291954      1.796566
  H      -3.083841     -3.610388     -0.177731
  H      -4.702291     -3.909357      0.454928
  H      -2.122550     -5.458927      0.942788
  H      -3.568821     -6.063311      0.091058
  C      -3.770151     -1.162736      0.500280
  C      -2.835010     -1.836366      1.533923
  C      -2.777034     -0.876624      2.728108
  C      -1.394258     -1.923438      0.932283
  C      -0.386090     -2.618084      1.852190
  C       0.846927     -3.175003      1.128880
  C       0.553878     -4.424654      0.295629
  C       1.757022     -4.775544     -0.596244
  C       3.089096     -4.425100      0.090350
  C       2.953420     -4.552158      1.607201
  C       1.950996     -3.517770      2.149217
  C      -6.283806     -2.712719      5.302362
  C      -6.645938     -4.033637      4.609869
  C      -7.309742     -4.929465      5.682965
  C      -7.708467     -3.709997      3.512572
  C      -7.200362     -2.735802      2.447623
  C      -8.042429     -2.675907      1.162902
  C      -9.522010     -2.393140      1.443437
  C     -10.264313     -2.040609      0.143337
  C      -9.707420     -2.826276     -1.058024
  C      -9.139899     -4.168575     -0.598174
  C      -7.913772     -3.949772      0.303411
  C      -3.091606     -5.377604      6.911594
  C      -2.175406     -6.140815      5.929156
  C      -2.649674     -7.616386      5.989922
  C      -0.705383     -6.096579      6.446193
  C      -0.065964     -4.708254      6.357303
  C       1.462573     -4.708871      6.483311
  C       1.934067     -5.258104      7.835503
  C       3.460292     -5.225876      7.946297
  C       3.989724     -3.804643      7.752982
  C       3.532135     -3.251929      6.403048
  C       2.006702     -3.285899      6.300000
  H      -4.792993     -1.150190      0.887121
  H      -3.771686     -1.678953     -0.462596
  H      -3.449126     -0.133155      0.325874
  H      -2.488165      0.119703      2.383165
  H      -2.038801     -1.219780      3.449946
  H      -3.764096     -0.814766      3.192501
  H      -1.444261     -2.462025     -0.021403
  H      -1.054237     -0.906220      0.707411
  H      -0.906206     -3.430852      2.383817
  H      -0.034661     -1.902234      2.605883
  H       1.217251     -2.393605      0.448377
  H      -0.334347     -4.279948     -0.330088
  H       0.341075     -5.256576      0.980424
  H       1.729439     -5.846324     -0.831946
  H       1.684463     -4.231930     -1.545815
  H       3.379567     -3.395986     -0.153467
  H       3.884148     -5.083735     -0.276993
  H       2.615715     -5.567869      1.848003
  H       3.929344     -4.412475      2.085953
  H       1.482131     -3.914823      3.058720
  H       2.479948     -2.597809      2.426438
  H      -5.821735     -2.909153      6.272301
  H      -5.593445     -2.153679      4.674023
  H      -7.187228     -2.120451      5.467493
  H      -8.059406     -4.354617      6.231897
  H      -6.555041     -5.285533      6.390399
  H      -7.806446     -5.799163      5.244880
  H      -8.592020     -3.296723      4.011380
  H      -8.017828     -4.646606      3.033969
  H      -7.170248     -1.726185      2.875374
  H      -6.167959     -3.015417      2.196954
  H      -7.657162     -1.829442      0.574287
  H      -9.616742     -1.567145      2.158517
  H      -9.975374     -3.278739      1.903364
  H     -10.174587     -0.965865     -0.054545
  H     -11.331295     -2.260056      0.268779
  H     -10.496101     -2.981594     -1.802785
  H      -8.907235     -2.254704     -1.544545
  H      -9.918038     -4.715440     -0.051751
  H      -8.859816     -4.779856     -1.464207
  H      -7.013253     -3.867423     -0.319269
  H      -7.784487     -4.827529      0.948136
  H      -3.353005     -6.017488      7.758054
  H      -2.599762     -4.488863      7.310373
  H      -4.007049     -5.091582      6.386136
  H      -2.088280     -8.270576      5.317979
  H      -2.518253     -7.997119      7.005867
  H      -3.712311     -7.677450      5.735099
  H      -0.698245     -6.455591      7.480887
  H      -0.106306     -6.796773      5.848439
  H      -0.473618     -4.060526      7.144363
  H      -0.339747     -4.277981      5.383228
  H       1.878792     -5.345545      5.686736
  H       1.497519     -4.651171      8.640728
  H       1.583454     -6.288736      7.965157
  H       3.770239     -5.613233      8.924734
  H       3.892479     -5.880094      7.177403
  H       5.084953     -3.799593      7.811183
  H       3.609048     -3.161970      8.557877
  H       3.892440     -2.223730      6.274848
  H       3.964622     -3.860240      5.597766
  H       1.691794     -2.892085      5.325845
  H       1.578830     -2.637872      7.077333
  N      -3.273378     -2.674023      5.028978
  N      -3.115538     -1.744173      5.858883
  H      -2.638763     -1.904848      6.751873
  H      -3.461212     -0.797480      5.667840
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.268139810341
  N      -3.329954     -3.187277      1.928093
  C      -3.623423     -3.972959      0.700790
  C      -3.209903     -5.420917      0.893397
  N      -3.718156     -5.906812      2.206686
  C      -5.165371     -6.267785      2.132866
  C      -5.789343     -6.056639      3.509053
  N      -5.451799     -4.700783      4.026264
  Mo     -3.523531     -4.224848      3.673636
  N      -2.279241     -5.565703      4.561314
  C      -1.711857     -6.412809      3.501164
  C      -2.869094     -7.032323      2.698666
  H      -1.060429     -7.220617      3.864974
  H      -1.091365     -5.794887      2.827968
  H      -3.470145     -7.651849      3.375705
  H      -2.517587     -7.662803      1.865097
  H      -6.870792     -6.220724      3.413322
  H      -5.417476     -6.830289      4.206474
  H      -5.648415     -5.578744      1.426792
  H      -5.305229     -7.299646      1.772430
  H      -3.078232     -3.605087     -0.179303
  H      -4.698465     -3.909480      0.445125
  H      -2.112128     -5.459456      0.923606
  H      -3.559226     -6.061640      0.066467
  C      -3.750076     -1.147195      0.542906
  C      -2.821673     -1.836695      1.571462
  C      -2.768438     -0.898507      2.786804
  C      -1.376482     -1.934055      0.984462
  C      -0.369405     -2.651939      1.892326
  C       0.861135     -3.207593      1.161976
  C       0.557324     -4.437951      0.299366
  C       1.764139     -4.787553     -0.596899
  C       3.103464     -4.465881      0.102269
  C       2.962430     -4.618903      1.619950
  C       1.963729     -3.582506      2.178802
  C      -6.271923     -2.721513      5.322880
  C      -6.643089     -4.037873      4.620962
  C      -7.297304     -4.944552      5.689376
  C      -7.699874     -3.705257      3.521444
  C      -7.199315     -2.720962      2.456465
  C      -8.047310     -2.657454      1.174080
  C      -9.531458     -2.381399      1.453155
  C     -10.276738     -2.028871      0.149011
  C      -9.713518     -2.809314     -1.060134
  C      -9.134793     -4.153174     -0.606640
  C      -7.909848     -3.928674      0.303128
  C      -3.110702     -5.347799      6.893191
  C      -2.194026     -6.131088      5.920929
  C      -2.669370     -7.603739      5.986715
  C      -0.724047     -6.069789      6.430800
  C      -0.086912     -4.676882      6.332419
  C       1.442488     -4.666037      6.458908
  C       1.926244     -5.211498      7.812336
  C       3.456476     -5.167432      7.920834
  C       3.979323     -3.741072      7.717670
  C       3.510394     -3.191086      6.366097
  C       1.981161     -3.238495      6.266805
  H      -4.782831     -1.133731      0.922273
  H      -3.748283     -1.648752     -0.433889
  H      -3.420346     -0.112128      0.387717
  H      -2.468669      0.104444      2.455520
  H      -2.037407     -1.252279      3.521254
  H      -3.762125     -0.832974      3.251238
  H      -1.425400     -2.457304      0.015987
  H      -1.030408     -0.910679      0.777742
  H      -0.890475     -3.477029      2.409739
  H      -0.014233     -1.952832      2.667306
  H       1.242885     -2.413638      0.494987
  H      -0.332708     -4.271537     -0.327970
  H       0.329974     -5.284411      0.971295
  H       1.725124     -5.857267     -0.855912
  H       1.699743     -4.223941     -1.540595
  H       3.408594     -3.431292     -0.123454
  H       3.896127     -5.126730     -0.278307
  H       2.612591     -5.640410      1.842828
  H       3.940977     -4.500171      2.108768
  H       1.484525     -3.992905      3.083300
  H       2.501195     -2.668968      2.479141
  H      -5.799107     -2.923104      6.293907
  H      -5.583029     -2.142312      4.700971
  H      -7.180684     -2.130769      5.497829
  H      -8.047485     -4.370006      6.248444
  H      -6.535454     -5.306325      6.395695
  H      -7.800290     -5.816717      5.249033
  H      -8.585216     -3.296068      4.029007
  H      -8.013765     -4.643498      3.036908
  H      -7.168035     -1.709143      2.892451
  H      -6.163579     -2.992178      2.194285
  H      -7.664942     -1.802977      0.587712
  H      -9.633231     -1.556755      2.176823
  H      -9.983480     -3.275098      1.912607
  H     -10.194332     -0.948035     -0.044493
  H     -11.347290     -2.254421      0.272535
  H     -10.502291     -2.964799     -1.810751
  H      -8.913786     -2.226937     -1.546651
  H      -9.912591     -4.713110     -0.062226
  H      -8.848947     -4.762166     -1.477701
  H      -7.003303     -3.836346     -0.318690
  H      -7.773218     -4.813733      0.946099
  H      -3.369551     -5.977413      7.753998
  H      -2.618729     -4.444709      7.277442
  H      -4.036785     -5.062243      6.377694
  H      -2.102689     -8.267917      5.319206
  H      -2.538886     -7.974932      7.011185
  H      -3.737246     -7.671617      5.728776
  H      -0.717432     -6.423588      7.471889
  H      -0.119965     -6.778837      5.838494
  H      -0.500710     -4.021839      7.118179
  H      -0.361854     -4.247182      5.355060
  H       1.861891     -5.306183      5.659415
  H       1.484290     -4.601914      8.621091
  H       1.579556     -6.248250      7.949248
  H       3.774056     -5.552691      8.902649
  H       3.892888     -5.825954      7.150154
  H       5.079109     -3.727634      7.773798
  H       3.596930     -3.094509      8.526463
  H       3.865518     -2.156957      6.231401
  H       3.946091     -3.800160      5.555012
  H       1.656631     -2.846090      5.289493
  H       1.547133     -2.588024      7.047227
  N      -3.287239     -2.789590      4.966864
  N      -3.113546     -1.876013      5.822800
  H      -2.633229     -2.063918      6.712953
  H      -3.451495     -0.918167      5.655770
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.286632021135
  N      -3.331028     -3.199363      1.938163
  C      -3.622416     -3.972750      0.701949
  C      -3.207481     -5.415206      0.881540
  N      -3.716383     -5.906507      2.193739
  C      -5.165093     -6.265409      2.122103
  C      -5.780607     -6.058922      3.496978
  N      -5.442376     -4.703525      4.022594
  Mo     -3.528535     -4.218663      3.679068
  N      -2.288495     -5.556824      4.533520
  C      -1.711532     -6.410395      3.478774
  C      -2.862388     -7.032885      2.681997
  H      -1.061073     -7.216526      3.848363
  H      -1.088677     -5.793217      2.807965
  H      -3.464671     -7.654184      3.357353
  H      -2.512584     -7.660817      1.845839
  H      -6.863457     -6.215457      3.406418
  H      -5.410239     -6.833240      4.193198
  H      -5.646222     -5.573317      1.416814
  H      -5.303297     -7.295676      1.757020
  H      -3.074127     -3.591416     -0.170386
  H      -4.696130     -3.900138      0.447004
  H      -2.109324     -5.456845      0.915627
  H      -3.555399     -6.054973      0.053614
  C      -3.733918     -1.143812      0.575326
  C      -2.813006     -1.839659      1.602288
  C      -2.762483     -0.912765      2.824517
  C      -1.368092     -1.946096      1.025084
  C      -0.364830     -2.675642      1.926699
  C       0.863621     -3.231969      1.194046
  C       0.554765     -4.450154      0.314844
  C       1.763886     -4.800172     -0.580240
  C       3.104668     -4.496400      0.127758
  C       2.957438     -4.662890      1.644201
  C       1.961909     -3.625296      2.209850
  C      -6.255267     -2.721024      5.331304
  C      -6.631916     -4.033151      4.627133
  C      -7.278208     -4.944982      5.692169
  C      -7.685327     -3.699435      3.529288
  C      -7.191101     -2.711929      2.463938
  C      -8.043404     -2.649409      1.184788
  C      -9.529116     -2.378049      1.462317
  C     -10.275903     -2.029749      0.156401
  C      -9.709274     -2.808708     -1.054281
  C      -9.123012     -4.150565     -0.602106
  C      -7.900092     -3.919760      0.310713
  C      -3.121438     -5.325935      6.873831
  C      -2.209013     -6.114504      5.904260
  C      -2.683335     -7.582951      5.966661
  C      -0.739505     -6.044206      6.408115
  C      -0.105227     -4.650149      6.309071
  C       1.423325     -4.632959      6.434081
  C       1.916233     -5.182056      7.783503
  C       3.447260     -5.131076      7.888404
  C       3.965484     -3.702262      7.684840
  C       3.487753     -3.148075      6.337180
  C       1.957902     -3.203198      6.242260
  H      -4.770690     -1.127201      0.947399
  H      -3.729378     -1.637941     -0.406528
  H      -3.398751     -0.107703      0.428933
  H      -2.455282      0.090387      2.497087
  H      -2.038341     -1.267717      3.567315
  H      -3.757927     -0.840372      3.288173
  H      -1.416066     -2.460162      0.050145
  H      -1.017942     -0.920860      0.827099
  H      -0.885963     -3.506843      2.436443
  H      -0.008592     -1.987546      2.712937
  H       1.253649     -2.432907      0.535765
  H      -0.333273     -4.271687     -0.313922
  H       0.317059     -5.302965      0.977843
  H       1.718063     -5.867422     -0.852048
  H       1.706566     -4.226623     -1.519505
  H       3.419379     -3.461046     -0.087422
  H       3.894988     -5.158093     -0.258543
  H       2.599745     -5.685378      1.856522
  H       3.934703     -4.557528      2.140437
  H       1.475120     -4.041303      3.109414
  H       2.503262     -2.717422      2.523998
  H      -5.774061     -2.922062      6.300015
  H      -5.571928     -2.127382      4.713940
  H      -7.166841     -2.134389      5.512894
  H      -8.027553     -4.372273      6.257268
  H      -6.513327     -5.308624      6.396037
  H      -7.784268     -5.817422      5.252968
  H      -8.570906     -3.293266      4.041723
  H      -8.002311     -4.638023      3.044618
  H      -7.158672     -1.699882      2.902781
  H      -6.154647     -2.977093      2.193926
  H      -7.664135     -1.792367      0.598247
  H      -9.635795     -1.554378      2.188129
  H      -9.978931     -3.274037      1.923222
  H     -10.199121     -0.947426     -0.036805
  H     -11.346726     -2.258904      0.279265
  H     -10.497006     -2.965905     -1.806829
  H      -8.912040     -2.221224     -1.541736
  H      -9.898355     -4.717052     -0.058255
  H      -8.834006     -4.759494     -1.473190
  H      -6.991507     -3.822296     -0.309518
  H      -7.758091     -4.805752      0.953475
  H      -3.373112     -5.953243      7.739955
  H      -2.630090     -4.417961      7.250888
  H      -4.056067     -5.038549      6.373306
  H      -2.114498     -8.247983      5.299825
  H      -2.552231     -7.952472      6.993154
  H      -3.752039     -7.655690      5.708267
  H      -0.730861     -6.398465      7.450647
  H      -0.134012     -6.755471      5.817544
  H      -0.521611     -3.994994      7.095877
  H      -0.381818     -4.216438      5.333297
  H       1.842912     -5.270674      5.630459
  H       1.472670     -4.575851      8.596325
  H       1.572465     -6.220940      7.920717
  H       3.770553     -5.519185      8.868146
  H       3.884268     -5.787833      7.114446
  H       5.066214     -3.683838      7.738194
  H       3.584352     -3.057982      8.498136
  H       3.839035     -2.111700      6.202617
  H       3.923083     -3.752496      5.520282
  H       1.626294     -2.807573      5.267385
  H       1.521589     -2.556084      7.026652
  N      -3.307934     -2.897624      4.894698
  N      -3.111472     -2.005397      5.783363
  H      -2.628845     -2.228377      6.660784
  H      -3.437807     -1.042531      5.647284
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.292463780370
  N      -3.326034     -3.226931      1.967747
  C      -3.614081     -3.982761      0.727434
  C      -3.209082     -5.426034      0.892289
  N      -3.729733     -5.921070      2.192050
  C      -5.175593     -6.262458      2.112994
  C      -5.792954     -6.057249      3.482432
  N      -5.453822     -4.711169      4.015383
  Mo     -3.549497     -4.226178      3.701530
  N      -2.323815     -5.578250      4.521297
  C      -1.744513     -6.440225      3.477367
  C      -2.890203     -7.053468      2.678968
  H      -1.103163     -7.246422      3.861553
  H      -1.110186     -5.831882      2.810949
  H      -3.502047     -7.672664      3.346946
  H      -2.544244     -7.678192      1.838684
  H      -6.877716     -6.195764      3.388701
  H      -5.437104     -6.835186      4.181205
  H      -5.644455     -5.564708      1.405621
  H      -5.316878     -7.290461      1.742241
  H      -3.055981     -3.586242     -0.131607
  H      -4.685176     -3.894873      0.468545
  H      -2.112306     -5.480880      0.934670
  H      -3.558382     -6.059217      0.059694
  C      -3.707712     -1.154929      0.635356
  C      -2.798495     -1.862443      1.662288
  C      -2.757993     -0.962005      2.901036
  C      -1.352356     -1.974853      1.096339
  C      -0.357941     -2.719029      1.992746
  C       0.877220     -3.263609      1.263277
  C       0.576218     -4.450018      0.339616
  C       1.798937     -4.785637     -0.541162
  C       3.129639     -4.515433      0.197489
  C       2.956505     -4.719941      1.705520
  C       1.957405     -3.693504      2.282905
  C      -6.239935     -2.722181      5.321471
  C      -6.634324     -4.028552      4.622091
  C      -7.279435     -4.940752      5.685046
  C      -7.681026     -3.695346      3.521578
  C      -7.187149     -2.706172      2.459480
  C      -8.038286     -2.638801      1.180623
  C      -9.524252     -2.365075      1.449323
  C     -10.264548     -2.016065      0.140509
  C      -9.693350     -2.790178     -1.070520
  C      -9.104413     -4.131436     -0.623477
  C      -7.889593     -3.903369      0.299478
  C      -3.120104     -5.309409      6.875615
  C      -2.226635     -6.110281      5.905327
  C      -2.690990     -7.577683      5.984123
  C      -0.748352     -6.021426      6.376480
  C      -0.132822     -4.621634      6.269101
  C       1.396277     -4.583085      6.364112
  C       1.930297     -5.143590      7.692052
  C       3.461500     -5.071566      7.763639
  C       3.959742     -3.636553      7.558753
  C       3.439626     -3.070367      6.232641
  C       1.909971     -3.146644      6.171764
  H      -4.747349     -1.136140      0.996601
  H      -3.696133     -1.636147     -0.351778
  H      -3.368036     -0.118720      0.502195
  H      -2.441991      0.043988      2.593815
  H      -2.045401     -1.327889      3.649207
  H      -3.756959     -0.887506      3.356457
  H      -1.394338     -2.469798      0.112041
  H      -0.996984     -0.948578      0.913395
  H      -0.879754     -3.562442      2.481362
  H      -0.011909     -2.051992      2.800774
  H       1.283506     -2.448975      0.635021
  H      -0.298707     -4.247500     -0.298826
  H       0.316906     -5.319527      0.971239
  H       1.748588     -5.843135     -0.846008
  H       1.763301     -4.186880     -1.465020
  H       3.458066     -3.478586      0.015022
  H       3.921283     -5.170607     -0.195652
  H       2.589335     -5.744897      1.884722
  H       3.924139     -4.638141      2.223329
  H       1.453282     -4.130995      3.161893
  H       2.495839     -2.798866      2.635698
  H      -5.735262     -2.922554      6.277457
  H      -5.575105     -2.117171      4.694778
  H      -7.148235     -2.138797      5.524872
  H      -8.027973     -4.368507      6.251224
  H      -6.516510     -5.304325      6.389736
  H      -7.788236     -5.811519      5.247899
  H      -8.567443     -3.290644      4.033711
  H      -8.004270     -4.631759      3.038569
  H      -7.150224     -1.696045      2.901243
  H      -6.150823     -2.967977      2.186091
  H      -7.655741     -1.780558      0.598573
  H      -9.636288     -1.544974      2.177439
  H      -9.977365     -3.259885      1.908228
  H     -10.189888     -0.933527     -0.049211
  H     -11.335642     -2.244258      0.257713
  H     -10.476444     -2.943072     -1.828021
  H      -8.897147     -2.198894     -1.553895
  H      -9.880456     -4.704115     -0.088156
  H      -8.810011     -4.737448     -1.494075
  H      -6.975645     -3.802299     -0.311261
  H      -7.749219     -4.792486      0.936989
  H      -3.333804     -5.916820      7.765048
  H      -2.632930     -4.385552      7.214531
  H      -4.076840     -5.046355      6.405072
  H      -2.127917     -8.244448      5.315895
  H      -2.540824     -7.937952      7.011166
  H      -3.762244     -7.662133      5.744594
  H      -0.713520     -6.377264      7.417975
  H      -0.146820     -6.729143      5.778904
  H      -0.542180     -3.973179      7.064925
  H      -0.435177     -4.182509      5.303861
  H       1.804980     -5.206782      5.544267
  H       1.496752     -4.554075      8.521869
  H       1.601450     -6.186716      7.827943
  H       3.813543     -5.466903      8.729755
  H       3.888560     -5.716729      6.975066
  H       5.060490     -3.604594      7.586054
  H       3.595096     -3.004836      8.388703
  H       3.774821     -2.029169      6.099821
  H       3.862379     -3.656906      5.396952
  H       1.547036     -2.743023      5.212010
  H       1.482610     -2.513485      6.971808
  N      -3.337683     -2.970473      4.887676
  N      -3.114748     -2.107648      5.815135
  H      -2.642990     -2.378604      6.678786
  H      -3.415081     -1.138880      5.708943
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.296064591077
  N      -3.313108     -3.250488      2.000100
  C      -3.597490     -3.986978      0.755442
  C      -3.205510     -5.434001      0.904698
  N      -3.743054     -5.937718      2.187573
  C      -5.185976     -6.259885      2.094877
  C      -5.812001     -6.061293      3.458816
  N      -5.474435     -4.726646      4.001242
  Mo     -3.571707     -4.246110      3.722070
  N      -2.361343     -5.619109      4.515140
  C      -1.781466     -6.480756      3.477455
  C      -2.923390     -7.079177      2.671312
  H      -1.149105     -7.287702      3.873439
  H      -1.134620     -5.878957      2.817639
  H      -3.545786     -7.698821      3.328702
  H      -2.579236     -7.697420      1.825344
  H      -6.897639     -6.185309      3.355998
  H      -5.471654     -6.846264      4.157232
  H      -5.642129     -5.554290      1.387667
  H      -5.331294     -7.284398      1.715040
  H      -3.027817     -3.577705     -0.089929
  H      -4.665609     -3.885502      0.489378
  H      -2.110401     -5.502356      0.956018
  H      -3.555351     -6.055076      0.062886
  C      -3.672249     -1.164410      0.690924
  C      -2.776816     -1.884108      1.720639
  C      -2.742072     -1.001029      2.968949
  C      -1.328613     -2.007484      1.166500
  C      -0.352976     -2.765859      2.069337
  C       0.893680     -3.309082      1.359630
  C       0.604587     -4.465383      0.395568
  C       1.847771     -4.798965     -0.454937
  C       3.160062     -4.566709      0.325920
  C       2.943316     -4.800606      1.822809
  C       1.940498     -3.777455      2.396208
  C      -6.239475     -2.739984      5.311593
  C      -6.647655     -4.037837      4.609954
  C      -7.296175     -4.953399      5.667260
  C      -7.688204     -3.697892      3.507396
  C      -7.191450     -2.699878      2.457035
  C      -8.038323     -2.618770      1.177012
  C      -9.524481     -2.344420      1.438130
  C     -10.257019     -1.984882      0.128867
  C      -9.679979     -2.744725     -1.087124
  C      -9.089291     -4.088595     -0.654297
  C      -7.883600     -3.871332      0.281289
  C      -3.110780     -5.325459      6.882536
  C      -2.231118     -6.126284      5.906638
  C      -2.673237     -7.597907      6.006553
  C      -0.742012     -6.008288      6.335870
  C      -0.161636     -4.595598      6.222822
  C       1.367408     -4.520606      6.267717
  C       1.964485     -5.094149      7.561363
  C       3.494021     -4.985809      7.578598
  C       3.954462     -3.538826      7.375565
  C       3.368275     -2.959075      6.084186
  C       1.841021     -3.071439      6.078935
  H      -4.713809     -1.139050      1.043097
  H      -3.655127     -1.637509     -0.298908
  H      -3.324924     -0.130046      0.566418
  H      -2.414831      0.005155      2.676071
  H      -2.040302     -1.377889      3.720419
  H      -3.743805     -0.920034      3.414976
  H      -1.364044     -2.489147      0.176428
  H      -0.961850     -0.983569      0.993622
  H      -0.885034     -3.614738      2.536568
  H      -0.022038     -2.116005      2.896491
  H       1.327819     -2.484954      0.763905
  H      -0.247331     -4.235717     -0.262822
  H       0.311121     -5.345849      0.995488
  H       1.790566     -5.847060     -0.787629
  H       1.847824     -4.180112     -1.365512
  H       3.509181     -3.532146      0.175181
  H       3.953397     -5.222286     -0.061568
  H       2.560081     -5.824260      1.969550
  H       3.895636     -4.745087      2.370431
  H       1.408105     -4.229480      3.250179
  H       2.476589     -2.898992      2.789149
  H      -5.706763     -2.946289      6.249598
  H      -5.599140     -2.120491      4.673983
  H      -7.144785     -2.164842      5.546663
  H      -8.046535     -4.384171      6.233223
  H      -6.537073     -5.318071      6.374048
  H      -7.804524     -5.821327      5.226465
  H      -8.576930     -3.297862      4.019050
  H      -8.015749     -4.628553      3.018453
  H      -7.151262     -1.694808      2.908164
  H      -6.154767     -2.958286      2.182422
  H      -7.651410     -1.755531      0.606060
  H      -9.641702     -1.532409      2.173375
  H      -9.981366     -3.240984      1.888484
  H     -10.184242     -0.900892     -0.049601
  H     -11.328322     -2.213249      0.238083
  H     -10.458060     -2.888253     -1.850804
  H      -8.884376     -2.146361     -1.561323
  H      -9.867134     -4.670673     -0.133060
  H      -8.788312     -4.684719     -1.528721
  H      -6.963636     -3.763401     -0.317927
  H      -7.746982     -4.768140      0.907506
  H      -3.268261     -5.911294      7.797171
  H      -2.641451     -4.378951      7.175773
  H      -4.094086     -5.107323      6.445713
  H      -2.114875     -8.262123      5.333949
  H      -2.496240     -7.948066      7.032490
  H      -3.747176     -7.699835      5.791459
  H      -0.667591     -6.371572      7.372543
  H      -0.142560     -6.701101      5.720720
  H      -0.559278     -3.962787      7.036288
  H      -0.506402     -4.150127      5.275216
  H       1.759910     -5.119816      5.422470
  H       1.548133     -4.531748      8.417651
  H       1.663482     -6.145444      7.691863
  H       3.891653     -5.389019      8.522742
  H       3.905925     -5.610275      6.766340
  H       5.053797     -3.482887      7.360375
  H       3.613777     -2.928439      8.230525
  H       3.674706     -1.909091      5.956960
  H       3.771062     -3.517601      5.220579
  H       1.429616     -2.659082      5.143263
  H       1.429315     -2.461608      6.904210
  N      -3.361844     -2.996173      4.937728
  N      -3.127754     -2.158240      5.891711
  H      -2.676094     -2.466331      6.751065
  H      -3.403837     -1.182958      5.801399
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.298129318333
  N      -3.302611     -3.281106      2.020463
  C      -3.595916     -4.017639      0.785657
  C      -3.216190     -5.465746      0.941979
  N      -3.764995     -5.956452      2.219303
  C      -5.207340     -6.257389      2.128095
  C      -5.834673     -6.039802      3.487003
  N      -5.496321     -4.705059      4.008558
  Mo     -3.594750     -4.238375      3.750146
  N      -2.405995     -5.626602      4.535155
  C      -1.824086     -6.502637      3.518555
  C      -2.965439     -7.098735      2.717324
  H      -1.203263     -7.302398      3.943907
  H      -1.160542     -5.921674      2.856219
  H      -3.596969     -7.706692      3.377433
  H      -2.626313     -7.726572      1.876040
  H      -6.921719     -6.153359      3.382924
  H      -5.505438     -6.818437      4.198178
  H      -5.655469     -5.556787      1.411252
  H      -5.362795     -7.285073      1.758990
  H      -3.022635     -3.610694     -0.058391
  H      -4.663489     -3.908243      0.519105
  H      -2.122495     -5.546636      0.995439
  H      -3.571842     -6.087642      0.102573
  C      -3.698098     -1.200885      0.715368
  C      -2.780691     -1.906884      1.734900
  C      -2.737926     -1.018013      2.975527
  C      -1.343013     -2.019143      1.151025
  C      -0.324271     -2.734956      2.036461
  C       0.919140     -3.245164      1.297047
  C       0.641966     -4.417152      0.348871
  C       1.872615     -4.725258     -0.527091
  C       3.196601     -4.445611      0.214541
  C       3.027663     -4.664087      1.718581
  C       2.008548     -3.667918      2.306197
  C      -6.249227     -2.693199      5.284758
  C      -6.664138     -3.997993      4.608300
  C      -7.314897     -4.893373      5.681074
  C      -7.700325     -3.675933      3.497349
  C      -7.201855     -2.695847      2.433311
  C      -8.046030     -2.636733      1.151368
  C      -9.532232     -2.357354      1.400471
  C     -10.259840     -2.024566      0.082591
  C      -9.677312     -2.802547     -1.117783
  C      -9.083029     -4.136177     -0.662571
  C      -7.885259     -3.902719      0.277327
  C      -3.122304     -5.312717      6.916501
  C      -2.256138     -6.112077      5.937496
  C      -2.711810     -7.578624      6.041365
  C      -0.761306     -6.008529      6.356434
  C      -0.156502     -4.606387      6.259789
  C       1.372617     -4.562431      6.306905
  C       1.958938     -5.166232      7.590370
  C       3.488977     -5.090098      7.608678
  C       3.982446     -3.653965      7.415649
  C       3.405316     -3.045211      6.134738
  C       1.877440     -3.124022      6.129457
  H      -4.733234     -1.178972      1.084620
  H      -3.693217     -1.678135     -0.271722
  H      -3.361462     -0.164664      0.577457
  H      -2.423073     -0.011434      2.670045
  H      -2.023003     -1.379761      3.720642
  H      -3.733060     -0.938297      3.434188
  H      -1.393395     -2.513195      0.168604
  H      -1.001432     -0.991505      0.948787
  H      -0.813068     -3.595940      2.527989
  H       0.005365     -2.069409      2.851189
  H       1.312522     -2.412911      0.684495
  H      -0.231438     -4.221071     -0.290813
  H       0.385576     -5.299766      0.962803
  H       1.836928     -5.777861     -0.847557
  H       1.831466     -4.119704     -1.445484
  H       3.511536     -3.404035      0.039938
  H       3.999169     -5.080416     -0.187620
  H       2.683214     -5.697471      1.891241
  H       3.991140     -4.572470      2.240939
  H       1.516764     -4.122610      3.181609
  H       2.524797     -2.768150      2.675212
  H      -5.688237     -2.883571      6.208010
  H      -5.638030     -2.068133      4.624350
  H      -7.154838     -2.127325      5.541278
  H      -8.069623     -4.316823      6.233544
  H      -6.558772     -5.240594      6.398959
  H      -7.819821     -5.770288      5.255811
  H      -8.591772     -3.268151      3.998959
  H      -8.033228     -4.612407      3.024843
  H      -7.158147     -1.684002      2.867371
  H      -6.164937     -2.958144      2.162521
  H      -7.656630     -1.783957      0.566635
  H      -9.654427     -1.532969      2.120436
  H      -9.991086     -3.243851      1.868420
  H     -10.191156     -0.943807     -0.114837
  H     -11.331109     -2.251956      0.192016
  H     -10.451596     -2.958943     -1.882469
  H      -8.883613     -2.208956     -1.600725
  H      -9.861695     -4.714125     -0.138129
  H      -8.776033     -4.746539     -1.524663
  H      -6.959607     -3.804522     -0.314210
  H      -7.751237     -4.789412      0.918067
  H      -3.242253     -5.887681      7.843692
  H      -2.661359     -4.358675      7.187165
  H      -4.121596     -5.118715      6.505110
  H      -2.164191     -8.249367      5.368198
  H      -2.533405     -7.931490      7.066189
  H      -3.787416     -7.669078      5.832200
  H      -0.681512     -6.385939      7.387967
  H      -0.174102     -6.705326      5.735413
  H      -0.539928     -3.974488      7.080355
  H      -0.492282     -4.137941      5.319819
  H       1.751487     -5.160190      5.454513
  H       1.554823     -4.607098      8.454567
  H       1.633577     -6.210920      7.710458
  H       3.879166     -5.511141      8.547676
  H       3.887520     -5.718468      6.792698
  H       5.082348     -3.623115      7.397900
  H       3.662379     -3.043590      8.278434
  H       3.736049     -2.001824      6.017327
  H       3.793965     -3.600620      5.262956
  H       1.471777     -2.694865      5.199483
  H       1.478612     -2.511428      6.959080
  N      -3.376965     -2.959865      4.957257
  N      -3.129055     -2.114477      5.905567
  H      -2.693802     -2.428279      6.770251
  H      -3.384736     -1.135790      5.795526
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.299574642158
  N      -3.274555     -3.303533      2.054567
  C      -3.567900     -4.019280      0.808501
  C      -3.197257     -5.471686      0.947149
  N      -3.760961     -5.979535      2.210567
  C      -5.204252     -6.271471      2.106135
  C      -5.843048     -6.064795      3.461754
  N      -5.513212     -4.733106      3.991464
  Mo     -3.610615     -4.263407      3.769848
  N      -2.433462     -5.665639      4.533394
  C      -1.837590     -6.535962      3.522041
  C      -2.970887     -7.127309      2.706957
  H      -1.221084     -7.330184      3.961835
  H      -1.161956     -5.956589      2.869455
  H      -3.608114     -7.741031      3.356189
  H      -2.625589     -7.748323      1.862693
  H      -6.929588     -6.179439      3.348304
  H      -5.519486     -6.848446      4.170467
  H      -5.646779     -5.565256      1.391432
  H      -5.362298     -7.295796      1.727099
  H      -2.987800     -3.601701     -0.025749
  H      -4.633308     -3.900246      0.536192
  H      -2.104382     -5.559412      1.007014
  H      -3.548960     -6.078198      0.094377
  C      -3.659970     -1.199934      0.771678
  C      -2.747559     -1.922661      1.785077
  C      -2.692215     -1.041333      3.028151
  C      -1.312533     -2.047274      1.201705
  C      -0.304421     -2.769927      2.091636
  C       0.938944     -3.288442      1.359760
  C       0.653391     -4.451538      0.403810
  C       1.886524     -4.774039     -0.462738
  C       3.208523     -4.513503      0.288430
  C       3.027348     -4.733623      1.790292
  C       2.015660     -3.728929      2.374618
  C      -6.281129     -2.741246      5.295336
  C      -6.687810     -4.033861      4.595586
  C      -7.345712     -4.945025      5.650458
  C      -7.715248     -3.693475      3.481566
  C      -7.213480     -2.690573      2.441465
  C      -8.051600     -2.605602      1.157324
  C      -9.539336     -2.335867      1.404691
  C     -10.261224     -1.976681      0.091071
  C      -9.668933     -2.723055     -1.123841
  C      -9.071352     -4.064467     -0.698180
  C      -7.881946     -3.850913      0.256087
  C      -3.117442     -5.323486      6.918426
  C      -2.252129     -6.124612      5.944999
  C      -2.692462     -7.595092      6.085732
  C      -0.755528     -5.990201      6.338763
  C      -0.183535     -4.576930      6.228287
  C       1.345286     -4.503447      6.237233
  C       1.975989     -5.100989      7.501732
  C       3.503809     -4.997841      7.479300
  C       3.968535     -3.554463      7.273341
  C       3.344134     -2.951411      6.012595
  C       1.818998     -3.056458      6.050195
  H      -4.693932     -1.168594      1.143882
  H      -3.662187     -1.669866     -0.219002
  H      -3.313415     -0.166081      0.638897
  H      -2.361955     -0.038593      2.724428
  H      -1.982146     -1.414063      3.772575
  H      -3.685389     -0.945200      3.486528
  H      -1.366371     -2.540389      0.219223
  H      -0.959803     -1.023433      0.995981
  H      -0.798379     -3.629686      2.581228
  H       0.023223     -2.107823      2.910080
  H       1.347856     -2.457180      0.755535
  H      -0.211805     -4.240908     -0.242598
  H       0.376020     -5.332861      1.011468
  H       1.838649     -5.825255     -0.786850
  H       1.860493     -4.166773     -1.380865
  H       3.538772     -3.475589      0.117950
  H       4.006035     -5.156638     -0.111014
  H       2.671240     -5.764047      1.958677
  H       3.988114     -4.655055      2.320159
  H       1.513627     -4.181350      3.245871
  H       2.538653     -2.836397      2.752758
  H      -5.701508     -2.944238      6.203582
  H      -5.694089     -2.087034      4.640879
  H      -7.192364     -2.198644      5.582896
  H      -8.113039     -4.381972      6.199861
  H      -6.596281     -5.293125      6.375089
  H      -7.837699     -5.821317      5.208824
  H      -8.613670     -3.298962      3.982483
  H      -8.044445     -4.620597      2.988446
  H      -7.171906     -1.688164      2.897055
  H      -6.174866     -2.944821      2.168455
  H      -7.661364     -1.739051      0.593261
  H      -9.668080     -1.527828      2.142105
  H      -9.998657     -3.232801      1.852803
  H     -10.197738     -0.891069     -0.081077
  H     -11.332334     -2.210665      0.189594
  H     -10.438481     -2.863641     -1.896572
  H      -8.876151     -2.114065     -1.589516
  H      -9.851405     -4.659415     -0.194485
  H      -8.756024     -4.653051     -1.572521
  H      -6.950248     -3.737976     -0.323686
  H      -7.751216     -4.752409      0.877014
  H      -3.185447     -5.870038      7.868223
  H      -2.683803     -4.345674      7.145667
  H      -4.135839     -5.181302      6.532744
  H      -2.146476     -8.277728      5.423767
  H      -2.502192     -7.925776      7.116134
  H      -3.769303     -7.698054      5.889099
  H      -0.647975     -6.365748      7.368775
  H      -0.164123     -6.676084      5.709593
  H      -0.559629     -3.950715      7.056987
  H      -0.551306     -4.113568      5.297082
  H       1.713410     -5.091250      5.372433
  H       1.584899     -4.552731      8.379379
  H       1.671628     -6.151362      7.627697
  H       3.926585     -5.412448      8.407132
  H       3.892072     -5.621016      6.653877
  H       5.066918     -3.506615      7.222623
  H       3.667608     -2.949609      8.147316
  H       3.654134     -1.902225      5.889451
  H       3.717439     -3.495890      5.126826
  H       1.378383     -2.632552      5.133457
  H       1.432301     -2.451547      6.891690
  N      -3.404890     -2.992786      4.984742
  N      -3.159973     -2.155873      5.942144
  H      -2.747860     -2.484809      6.813242
  H      -3.400405     -1.172903      5.827702
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.300623665375
  N      -3.245360     -3.326005      2.084132
  C      -3.562253     -4.030287      0.834192
  C      -3.210895     -5.489027      0.964044
  N      -3.780569     -5.997847      2.225898
  C      -5.228852     -6.274550      2.120129
  C      -5.870850     -6.058858      3.474352
  N      -5.531787     -4.725430      3.999007
  Mo     -3.621731     -4.272985      3.796819
  N      -2.465570     -5.695076      4.550346
  C      -1.865139     -6.569956      3.543804
  C      -3.000538     -7.153147      2.723056
  H      -1.258076     -7.363838      3.997497
  H      -1.176399     -6.000810      2.895271
  H      -3.642799     -7.763915      3.370198
  H      -2.657434     -7.776043      1.879240
  H      -6.957735     -6.168139      3.356196
  H      -5.555381     -6.843784      4.185716
  H      -5.664197     -5.565826      1.403414
  H      -5.400279     -7.297358      1.742223
  H      -2.986274     -3.617180     -0.004824
  H      -4.628486     -3.897550      0.571791
  H      -2.118930     -5.590983      1.019715
  H      -3.571664     -6.083903      0.106767
  C      -3.661143     -1.210875      0.818499
  C      -2.731851     -1.936634      1.814940
  C      -2.662644     -1.063570      3.062776
  C      -1.303222     -2.053524      1.215879
  C      -0.280262     -2.763048      2.099420
  C       0.962332     -3.266861      1.356221
  C       0.676789     -4.430257      0.400745
  C       1.904997     -4.745024     -0.476094
  C       3.231870     -4.474394      0.263103
  C       3.066108     -4.696657      1.766352
  C       2.051240     -3.700927      2.360964
  C      -6.290732     -2.724853      5.296574
  C      -6.705024     -4.016590      4.599164
  C      -7.374775     -4.917296      5.655306
  C      -7.723907     -3.675135      3.477468
  C      -7.214068     -2.679707      2.433832
  C      -8.044192     -2.604111      1.143518
  C      -9.534008     -2.335740      1.380064
  C     -10.248724     -1.986944      0.059454
  C      -9.644945     -2.737157     -1.147577
  C      -9.047214     -4.075233     -0.711514
  C      -7.866467     -3.855759      0.252394
  C      -3.120119     -5.337966      6.943268
  C      -2.260551     -6.140036      5.964428
  C      -2.698889     -7.611967      6.117664
  C      -0.763230     -6.000735      6.338162
  C      -0.201265     -4.583498      6.229757
  C       1.328324     -4.504944      6.219618
  C       1.975153     -5.109631      7.472779
  C       3.502572     -5.004641      7.433074
  C       3.964350     -3.560036      7.228786
  C       3.323060     -2.948649      5.980623
  C       1.798266     -3.055770      6.036036
  H      -4.689394     -1.183190      1.207304
  H      -3.677884     -1.676403     -0.174570
  H      -3.318770     -0.175700      0.684952
  H      -2.325480     -0.062341      2.761396
  H      -1.951611     -1.445527      3.802845
  H      -3.653108     -0.959643      3.525892
  H      -1.363687     -2.553547      0.237289
  H      -0.958972     -1.029189      0.997406
  H      -0.756671     -3.628404      2.596725
  H       0.045798     -2.094451      2.913476
  H       1.359266     -2.429998      0.751546
  H      -0.194387     -4.223177     -0.239383
  H       0.406412     -5.313532      1.009236
  H       1.861469     -5.797071     -0.798975
  H       1.866947     -4.139326     -1.395101
  H       3.553595     -3.433989      0.089580
  H       4.030491     -5.111764     -0.143891
  H       2.720836     -5.730507      1.937268
  H       4.031164     -4.610317      2.287629
  H       1.561087     -4.158865      3.236380
  H       2.569852     -2.804365      2.736905
  H      -5.689512     -2.928769      6.190739
  H      -5.723737     -2.061252      4.633100
  H      -7.199547     -2.191989      5.609718
  H      -8.149618     -4.350125      6.189656
  H      -6.633249     -5.256514      6.392746
  H      -7.859982     -5.799346      5.216863
  H      -8.625125     -3.275829      3.969723
  H      -8.053410     -4.604061      2.986378
  H      -7.173310     -1.673888      2.882229
  H      -6.174429     -2.937746      2.167793
  H      -7.651811     -1.740781      0.575893
  H      -9.668467     -1.522144      2.110788
  H      -9.994856     -3.229857      1.832683
  H     -10.189164     -0.901781     -0.118297
  H     -11.319718     -2.224884      0.152063
  H     -10.408888     -2.883856     -1.925050
  H      -8.850983     -2.127762     -1.611179
  H      -9.830424     -4.670631     -0.212763
  H      -8.722879     -4.666496     -1.581033
  H      -6.928498     -3.747185     -0.318531
  H      -7.742055     -4.753250      0.880936
  H      -3.145759     -5.864523      7.906652
  H      -2.705203     -4.345274      7.140355
  H      -4.152303     -5.231429      6.583267
  H      -2.157300     -8.300927      5.457289
  H      -2.504971     -7.937654      7.149023
  H      -3.776862     -7.713704      5.925501
  H      -0.639135     -6.385021      7.362953
  H      -0.175281     -6.677524      5.695135
  H      -0.569802     -3.963603      7.066821
  H      -0.582604     -4.115851      5.305698
  H       1.687267     -5.086415      5.346332
  H       1.593611     -4.568950      8.359603
  H       1.673849     -6.161627      7.594920
  H       3.936186     -5.422145      8.354945
  H       3.882926     -5.625134      6.601696
  H       5.062192     -3.513024      7.161677
  H       3.678436     -2.959680      8.111178
  H       3.630471     -1.897834      5.862494
  H       3.687175     -3.484686      5.085779
  H       1.346253     -2.627969      5.126335
  H       1.420785     -2.454847      6.884734
  N      -3.411672     -2.994936      4.999852
  N      -3.167162     -2.144704      5.944535
  H      -2.783443     -2.465259      6.831839
  H      -3.381199     -1.159338      5.801815
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.301215496831
  N      -3.215027     -3.336154      2.109039
  C      -3.548186     -4.033219      0.855135
  C      -3.203590     -5.495048      0.975289
  N      -3.776792     -6.010202      2.233677
  C      -5.225310     -6.289534      2.119361
  C      -5.876983     -6.073161      3.469728
  N      -5.544568     -4.734414      3.993783
  Mo     -3.628701     -4.278404      3.818621
  N      -2.482765     -5.710433      4.567044
  C      -1.865741     -6.581863      3.562264
  C      -2.994940     -7.165747      2.731075
  H      -1.263552     -7.373739      4.025304
  H      -1.169564     -6.013306      2.921368
  H      -3.637838     -7.781193      3.373480
  H      -2.644376     -7.785190      1.888121
  H      -6.961902     -6.190857      3.343574
  H      -5.560672     -6.855738      4.183404
  H      -5.657104     -5.581330      1.399901
  H      -5.396466     -7.311945      1.740764
  H      -2.978556     -3.621099      0.011236
  H      -4.615593     -3.895025      0.602171
  H      -2.111847     -5.601561      1.030194
  H      -3.565770     -6.079972      0.112096
  C      -3.668607     -1.225141      0.846506
  C      -2.716360     -1.942204      1.826220
  C      -2.621736     -1.061990      3.067266
  C      -1.301014     -2.059793      1.196137
  C      -0.245749     -2.732391      2.072180
  C       0.978885     -3.245922      1.305513
  C       0.673944     -4.446449      0.402852
  C       1.875834     -4.784958     -0.502113
  C       3.223951     -4.473721      0.181208
  C       3.110469     -4.641219      1.696661
  C       2.105132     -3.633132      2.288191
  C      -6.314822     -2.747350      5.303599
  C      -6.724554     -4.034304      4.592674
  C      -7.400605     -4.942086      5.637954
  C      -7.736794     -3.685770      3.467129
  C      -7.224664     -2.681635      2.432264
  C      -8.051719     -2.596040      1.139812
  C      -9.542643     -2.331711      1.376412
  C     -10.255780     -1.970995      0.057448
  C      -9.645679     -2.705892     -1.156273
  C      -9.048264     -4.048807     -0.733684
  C      -7.871694     -3.840309      0.238626
  C      -3.120971     -5.325610      6.955681
  C      -2.260754     -6.138367      5.983166
  C      -2.703919     -7.608495      6.153061
  C      -0.764406     -5.998132      6.350772
  C      -0.199604     -4.580770      6.243769
  C       1.331193     -4.508555      6.241423
  C       1.966331     -5.114774      7.500568
  C       3.494998     -5.019481      7.471693
  C       3.967552     -3.577979      7.267744
  C       3.337605     -2.963503      6.014968
  C       1.811188     -3.061619      6.059644
  H      -4.687972     -1.196457      1.258619
  H      -3.707063     -1.698403     -0.142599
  H      -3.330078     -0.190640      0.698584
  H      -2.273061     -0.068184      2.754277
  H      -1.909285     -1.449312      3.803516
  H      -3.607452     -0.939287      3.536988
  H      -1.380205     -2.590933      0.235155
  H      -0.972696     -1.039781      0.937113
  H      -0.694697     -3.586084      2.611981
  H       0.096867     -2.032858      2.853069
  H       1.345442     -2.425813      0.660201
  H      -0.219010     -4.269098     -0.216349
  H       0.429246     -5.307837      1.052153
  H       1.832536     -5.849658     -0.781145
  H       1.801330     -4.216788     -1.442702
  H       3.529355     -3.437760     -0.041942
  H       4.014875     -5.119662     -0.227788
  H       2.782432     -5.671453      1.916708
  H       4.091742     -4.525599      2.181014
  H       1.649345     -4.062949      3.195825
  H       2.626600     -2.718423      2.613386
  H      -5.699031     -2.958038      6.186433
  H      -5.764129     -2.067325      4.642168
  H      -7.225186     -2.231106      5.639480
  H      -8.189482     -4.382796      6.159712
  H      -6.666348     -5.273632      6.386713
  H      -7.868992     -5.829965      5.192470
  H      -8.642697     -3.292721      3.955611
  H      -8.059099     -4.612911      2.967047
  H      -7.186885     -1.679003      2.888382
  H      -6.184309     -2.937608      2.166810
  H      -7.659631     -1.727320      0.580442
  H      -9.678279     -1.524008      2.113764
  H     -10.003492     -3.230186      1.820267
  H     -10.199941     -0.883627     -0.108342
  H     -11.326105     -2.214540      0.144469
  H     -10.407103     -2.845626     -1.937727
  H      -8.851083     -2.089848     -1.609974
  H      -9.833422     -4.651210     -0.246393
  H      -8.718935     -4.628132     -1.609553
  H      -6.930246     -3.728784     -0.326352
  H      -7.753162     -4.743378      0.860421
  H      -3.114950     -5.823219      7.934999
  H      -2.726596     -4.317661      7.116080
  H      -4.161827     -5.255937      6.611411
  H      -2.162092     -8.308971      5.504262
  H      -2.518840     -7.922756      7.189525
  H      -3.781184     -7.706399      5.953350
  H      -0.637739     -6.385495      7.373873
  H      -0.176814     -6.672040      5.703789
  H      -0.570389     -3.959576      7.078652
  H      -0.574243     -4.114045      5.316400
  H       1.692489     -5.093244      5.371373
  H       1.581804     -4.571750      8.384621
  H       1.658890     -6.165514      7.620615
  H       3.918482     -5.435468      8.399273
  H       3.878419     -5.645548      6.645962
  H       5.066255     -3.540147      7.204191
  H       3.683636     -2.974147      8.148448
  H       3.651455     -1.913891      5.900605
  H       3.705991     -3.500604      5.122711
  H       1.369479     -2.633677      5.144732
  H       1.431427     -2.456058      6.903903
  N      -3.438697     -2.999701      5.022021
  N      -3.216689     -2.135918      5.958762
  H      -2.864524     -2.442383      6.864088
  H      -3.414956     -1.151048      5.792202
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.301582872357
  N      -3.203312     -3.340189      2.124487
  C      -3.562827     -4.026208      0.868145
  C      -3.236759     -5.493662      0.973089
  N      -3.806742     -6.011284      2.232589
  C      -5.256669     -6.285565      2.122756
  C      -5.903943     -6.066011      3.475509
  N      -5.565131     -4.726405      3.999937
  Mo     -3.642038     -4.278982      3.831656
  N      -2.505815     -5.728965      4.562689
  C      -1.891259     -6.597510      3.549283
  C      -3.026137     -7.172282      2.719906
  H      -1.294977     -7.395625      4.008735
  H      -1.193346     -6.030099      2.909923
  H      -3.667833     -7.788988      3.362880
  H      -2.680635     -7.788578      1.872928
  H      -6.989030     -6.182348      3.351335
  H      -5.586245     -6.848845      4.188172
  H      -5.686498     -5.574324      1.404924
  H      -5.434882     -7.306514      1.744149
  H      -3.001437     -3.616974      0.017697
  H      -4.631917     -3.874302      0.632302
  H      -2.146171     -5.614796      1.018832
  H      -3.612448     -6.065043      0.106876
  C      -3.651427     -1.213683      0.874714
  C      -2.702465     -1.945628      1.845126
  C      -2.604151     -1.081112      3.097000
  C      -1.284338     -2.062820      1.219332
  C      -0.230245     -2.723054      2.108445
  C       0.998393     -3.247055      1.354979
  C       0.698057     -4.464308      0.472998
  C       1.904343     -4.820714     -0.419576
  C       3.249089     -4.494930      0.264128
  C       3.128619     -4.634975      1.782289
  C       2.119746     -3.616496      2.350660
  C      -6.340852     -2.741378      5.314506
  C      -6.746343     -4.026569      4.597210
  C      -7.430768     -4.934939      5.635836
  C      -7.751838     -3.675739      3.466869
  C      -7.234077     -2.673842      2.432540
  C      -8.053587     -2.593919      1.134574
  C      -9.546743     -2.332412      1.362153
  C     -10.253323     -1.976718      0.037755
  C      -9.631135     -2.710063     -1.171046
  C      -9.034533     -4.052009     -0.743275
  C      -7.866262     -3.841344      0.239276
  C      -3.107650     -5.356764      6.963489
  C      -2.254284     -6.155829      5.972836
  C      -2.683702     -7.629865      6.142735
  C      -0.753599     -6.004529      6.314535
  C      -0.203403     -4.579725      6.215003
  C       1.326451     -4.494301      6.184016
  C       1.990722     -5.112037      7.422755
  C       3.518098     -5.004187      7.365818
  C       3.975825     -3.556241      7.171286
  C       3.314980     -2.929204      5.940395
  C       1.790392     -3.040587      6.014523
  H      -4.670575     -1.185350      1.287223
  H      -3.692126     -1.675231     -0.119508
  H      -3.307111     -0.179216      0.739825
  H      -2.222470     -0.094096      2.801295
  H      -1.917311     -1.497672      3.841854
  H      -3.595757     -0.935928      3.548566
  H      -1.356988     -2.605621      0.264567
  H      -0.957452     -1.045095      0.950358
  H      -0.679670     -3.568642      2.659254
  H       0.108907     -2.009797      2.878542
  H       1.366398     -2.437562      0.697431
  H      -0.191210     -4.297337     -0.154404
  H       0.449144     -5.312515      1.137458
  H       1.863458     -5.891219     -0.675842
  H       1.834178     -4.272220     -1.371987
  H       3.554688     -3.463026      0.023512
  H       4.042104     -5.148447     -0.128577
  H       2.799918     -5.661325      2.018824
  H       4.107764     -4.509074      2.268288
  H       1.658413     -4.030667      3.262974
  H       2.639508     -2.696232      2.662269
  H      -5.722431     -2.955017      6.194422
  H      -5.794268     -2.055383      4.655770
  H      -7.252668     -2.232121      5.657244
  H      -8.230552     -4.377985      6.143193
  H      -6.704966     -5.259065      6.396331
  H      -7.886421     -5.828177      5.187937
  H      -8.660259     -3.281863      3.949764
  H      -8.069478     -4.603947      2.965611
  H      -7.201011     -1.669465      2.885250
  H      -6.192035     -2.930588      2.174518
  H      -7.660466     -1.726108      0.574760
  H      -9.687524     -1.522255      2.095861
  H     -10.008042     -3.230761      1.805535
  H     -10.201959     -0.889297     -0.128906
  H     -11.322720     -2.226575      0.117667
  H     -10.386242     -2.852620     -1.958132
  H      -8.834259     -2.092281     -1.618094
  H      -9.822805     -4.655876     -0.263038
  H      -8.696204     -4.629485     -1.616935
  H      -6.919881     -3.732953     -0.317932
  H      -7.754969     -4.741935      0.865989
  H      -3.056703     -5.843053      7.947529
  H      -2.739029     -4.336488      7.099923
  H      -4.159878     -5.323517      6.649434
  H      -2.139066     -8.323939      5.489338
  H      -2.492613     -7.945040      7.177839
  H      -3.760735     -7.735139      5.944893
  H      -0.604078     -6.404971      7.329402
  H      -0.170789     -6.661276      5.646032
  H      -0.564618     -3.972186      7.063488
  H      -0.598334     -4.106998      5.299286
  H       1.675776     -5.063332      5.298902
  H       1.619025     -4.584742      8.321469
  H       1.695111     -6.167301      7.532904
  H       3.961660     -5.426809      8.281008
  H       3.890848     -5.617285      6.525801
  H       5.072605     -3.510677      7.082859
  H       3.708229     -2.966489      8.066350
  H       3.617121     -1.874993      5.836758
  H       3.669952     -3.449565      5.033076
  H       1.327725     -2.603180      5.114223
  H       1.423407     -2.450449      6.874983
  N      -3.440441     -2.999268      5.029910
  N      -3.219314     -2.119796      5.952376
  H      -2.895442     -2.411230      6.873184
  H      -3.388626     -1.133949      5.761077
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.301799007711
  N      -3.193217     -3.329570      2.149373
  C      -3.554496     -4.007866      0.889544
  C      -3.230317     -5.476404      0.984240
  N      -3.803245     -6.001266      2.239274
  C      -5.250797     -6.280214      2.121954
  C      -5.904420     -6.065209      3.471978
  N      -5.570912     -4.726774      4.002411
  Mo     -3.646584     -4.274794      3.850227
  N      -2.513966     -5.729660      4.578509
  C      -1.892414     -6.591041      3.561886
  C      -3.021127     -7.162640      2.723196
  H      -1.298489     -7.392671      4.018008
  H      -1.193190     -6.016485      2.930734
  H      -3.664334     -7.785166      3.358931
  H      -2.669242     -7.772319      1.874002
  H      -6.988740     -6.182270      3.343139
  H      -5.587616     -6.848239      4.184661
  H      -5.678486     -5.567988      1.403700
  H      -5.423423     -7.300915      1.740163
  H      -2.992983     -3.593183      0.041755
  H      -4.623879     -3.852988      0.657062
  H      -2.140173     -5.600138      1.031689
  H      -3.605398     -6.041164      0.113412
  C      -3.641009     -1.181139      0.935582
  C      -2.685954     -1.935962      1.881512
  C      -2.564598     -1.094153      3.146787
  C      -1.277497     -2.052762      1.235035
  C      -0.213102     -2.721160      2.105456
  C       1.000507     -3.249557      1.330927
  C       0.680693     -4.465971      0.454975
  C       1.870232     -4.827947     -0.457379
  C       3.227558     -4.506462      0.203006
  C       3.132826     -4.644496      1.723276
  C       2.138045     -3.621308      2.307289
  C      -6.352970     -2.741604      5.309184
  C      -6.755189     -4.028452      4.593168
  C      -7.443883     -4.934584      5.631296
  C      -7.755923     -3.679735      3.457803
  C      -7.230302     -2.685814      2.419956
  C      -8.045242     -2.609107      1.119134
  C      -9.537390     -2.336548      1.340231
  C     -10.237279     -1.984359      0.011378
  C      -9.613829     -2.726518     -1.191158
  C      -9.028173     -4.070521     -0.754842
  C      -7.863373     -3.863231      0.232603
  C      -3.107192     -5.353659      6.979932
  C      -2.260233     -6.156573      5.987836
  C      -2.689601     -7.629827      6.161805
  C      -0.758270     -6.005703      6.324657
  C      -0.208754     -4.581363      6.220463
  C       1.320580     -4.495414      6.190500
  C       1.984971     -5.103197      7.433885
  C       3.512175     -4.993970      7.376799
  C       3.968584     -3.547177      7.170835
  C       3.306609     -2.930085      5.935570
  C       1.782383     -3.042782      6.010248
  H      -4.655574     -1.154908      1.359013
  H      -3.694728     -1.622976     -0.066694
  H      -3.291764     -0.146327      0.817345
  H      -2.163407     -0.110168      2.867335
  H      -1.884607     -1.538838      3.880953
  H      -3.551866     -0.936908      3.604040
  H      -1.364674     -2.590287      0.278557
  H      -0.952348     -1.034029      0.968162
  H      -0.660206     -3.566409      2.659515
  H       0.142030     -2.011958      2.871799
  H       1.358494     -2.441822      0.665844
  H      -0.218415     -4.295424     -0.157131
  H       0.440739     -5.312440      1.124639
  H       1.821478     -5.898691     -0.710641
  H       1.786028     -4.280692     -1.409181
  H       3.532541     -3.475929     -0.043493
  H       4.011221     -5.163250     -0.202465
  H       2.803776     -5.669061      1.966467
  H       4.120591     -4.521697      2.191926
  H       1.690587     -4.031611      3.227720
  H       2.666735     -2.702808      2.608368
  H      -5.740478     -2.953390      6.193684
  H      -5.800484     -2.059080      4.652147
  H      -7.265890     -2.229410      5.643974
  H      -8.248798     -4.377127      6.129864
  H      -6.722852     -5.252942      6.398599
  H      -7.893824     -5.831365      5.185399
  H      -8.663957     -3.279576      3.936003
  H      -8.074968     -4.609477      2.960759
  H      -7.194356     -1.679143      2.867049
  H      -6.188614     -2.948920      2.167127
  H      -7.644936     -1.747329      0.555202
  H      -9.675226     -1.521272      2.068532
  H     -10.005688     -3.229491      1.786890
  H     -10.180498     -0.898158     -0.160480
  H     -11.307837     -2.229568      0.088275
  H     -10.365730     -2.867417     -1.981426
  H      -8.810480     -2.115921     -1.636151
  H      -9.822684     -4.666976     -0.275966
  H      -8.689259     -4.653441     -1.624467
  H      -6.913627     -3.766403     -0.320682
  H      -7.763019     -4.760387      0.865790
  H      -3.041271     -5.828623      7.968421
  H      -2.746034     -4.328571      7.097578
  H      -4.163212     -5.332936      6.677616
  H      -2.140160     -8.325252      5.514423
  H      -2.504302     -7.940190      7.199351
  H      -3.765007     -7.737527      5.957759
  H      -0.605964     -6.403917      7.339970
  H      -0.178012     -6.663394      5.655187
  H      -0.572111     -3.970691      7.065574
  H      -0.602861     -4.113379      5.301953
  H       1.671040     -5.070639      5.309933
  H       1.612207     -4.569341      8.328064
  H       1.690868     -6.157880      7.551558
  H       3.955442     -5.408652      8.295550
  H       3.885722     -5.613035      6.541704
  H       5.065102     -3.501579      7.081102
  H       3.700969     -2.951026      8.061447
  H       3.607028     -1.876341      5.824200
  H       3.661615     -3.456966      5.032228
  H       1.320028     -2.612985      5.106235
  H       1.414280     -2.446984      6.866157
  N      -3.456588     -3.004025      5.059331
  N      -3.247045     -2.126282      5.987549
  H      -2.973162     -2.422070      6.922916
  H      -3.379565     -1.136764      5.787864
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.301998477713
  N      -3.188510     -3.322235      2.164192
  C      -3.552845     -3.994454      0.904125
  C      -3.224210     -5.461991      0.989988
  N      -3.798533     -5.993755      2.240966
  C      -5.242140     -6.282346      2.115796
  C      -5.901318     -6.073539      3.462826
  N      -5.578600     -4.735193      3.996271
  Mo     -3.655585     -4.271161      3.860741
  N      -2.521374     -5.724783      4.591238
  C      -1.891789     -6.577465      3.572546
  C      -3.011650     -7.151072      2.725360
  H      -1.297408     -7.380883      4.025098
  H      -1.194028     -5.992549      2.949448
  H      -3.655017     -7.780400      3.354244
  H      -2.650266     -7.754439      1.875526
  H      -6.984893     -6.195143      3.332406
  H      -5.580501     -6.853896      4.176583
  H      -5.670700     -5.571418      1.396499
  H      -5.404547     -7.304116      1.732376
  H      -2.995419     -3.571233      0.057537
  H      -4.624083     -3.840789      0.678931
  H      -2.134126     -5.584807      1.038813
  H      -3.597697     -6.022833      0.115927
  C      -3.629133     -1.171931      0.963187
  C      -2.672424     -1.933096      1.901137
  C      -2.535183     -1.099246      3.169879
  C      -1.270379     -2.053444      1.242545
  C      -0.198542     -2.714956      2.108780
  C       1.005274     -3.255615      1.327493
  C       0.676444     -4.488490      0.478672
  C       1.854307     -4.865568     -0.442321
  C       3.219514     -4.528347      0.193076
  C       3.146466     -4.637430      1.716964
  C       2.157782     -3.605176      2.294468
  C      -6.369434     -2.755728      5.301967
  C      -6.766089     -4.042983      4.584170
  C      -7.454610     -4.952543      5.619881
  C      -7.765357     -3.693293      3.446991
  C      -7.234747     -2.700439      2.410862
  C      -8.049426     -2.614979      1.110807
  C      -9.539197     -2.330692      1.332764
  C     -10.236034     -1.968461      0.005069
  C      -9.615296     -2.707626     -1.200284
  C      -9.041966     -4.059200     -0.771079
  C      -7.878200     -3.867680      0.220863
  C      -3.096092     -5.352156      6.998565
  C      -2.261286     -6.154291      5.998046
  C      -2.687660     -7.627856      6.169481
  C      -0.755522     -6.005246      6.324933
  C      -0.206498     -4.581364      6.218728
  C       1.321999     -4.494443      6.183337
  C       1.992462     -5.095852      7.426200
  C       3.519068     -4.984024      7.362472
  C       3.972330     -3.537588      7.147594
  C       3.303592     -2.927002      5.912894
  C       1.780130     -3.042211      5.994205
  H      -4.642996     -1.147445      1.388518
  H      -3.685198     -1.608653     -0.041643
  H      -3.278869     -0.136857      0.850338
  H      -2.103159     -0.125909      2.899209
  H      -1.874717     -1.569280      3.905533
  H      -3.521501     -0.916252      3.619073
  H      -1.364957     -2.597468      0.290566
  H      -0.950053     -1.035401      0.967620
  H      -0.645369     -3.552894      2.675438
  H       0.166767     -1.998505      2.863078
  H       1.350472     -2.459928      0.641376
  H      -0.231232     -4.330702     -0.123981
  H       0.449051     -5.322557      1.167902
  H       1.805296     -5.941273     -0.673064
  H       1.756015     -4.337490     -1.403433
  H       3.517740     -3.501744     -0.076611
  H       3.999339     -5.190461     -0.210836
  H       2.822767     -5.657534      1.984596
  H       4.140335     -4.503360      2.168949
  H       1.723596     -3.996937      3.228814
  H       2.688559     -2.679986      2.569749
  H      -5.765729     -2.966676      6.192622
  H      -5.808795     -2.075830      4.649449
  H      -7.284307     -2.240491      5.626100
  H      -8.265529     -4.398712      6.112855
  H      -6.736287     -5.265553      6.391779
  H      -7.897040     -5.852747      5.173684
  H      -8.671894     -3.290102      3.925267
  H      -8.086712     -4.622025      2.950176
  H      -7.193256     -1.695014      2.860112
  H      -6.194424     -2.968620      2.157902
  H      -7.642316     -1.754938      0.549040
  H      -9.670423     -1.517164      2.063971
  H     -10.014559     -3.221699      1.775763
  H     -10.173912     -0.881809     -0.161387
  H     -11.307657     -2.209342      0.079620
  H     -10.365625     -2.836741     -1.993896
  H      -8.805151     -2.100920     -1.638056
  H      -9.842641     -4.651979     -0.298120
  H      -8.705391     -4.638998     -1.643530
  H      -6.926052     -3.779681     -0.329596
  H      -7.789772     -4.767617      0.851585
  H      -3.011254     -5.820597      7.988363
  H      -2.740071     -4.324073      7.098625
  H      -4.157267     -5.340570      6.713212
  H      -2.131902     -8.319453      5.523555
  H      -2.505998     -7.938107      7.207626
  H      -3.761387     -7.740072      5.960067
  H      -0.596214     -6.404336      7.338862
  H      -0.181251     -6.662442      5.650222
  H      -0.568694     -3.970253      7.063824
  H      -0.603661     -4.114508      5.300888
  H       1.669934     -5.073240      5.303954
  H       1.622215     -4.558151      8.319050
  H       1.700826     -6.150375      7.549697
  H       3.966552     -5.393747      8.281199
  H       3.889856     -5.605960      6.528335
  H       5.068174     -3.490837      7.052285
  H       3.707741     -2.937995      8.036707
  H       3.601402     -1.873335      5.795241
  H       3.654662     -3.457870      5.010478
  H       1.313657     -2.617641      5.089948
  H       1.413957     -2.443603      6.848937
  N      -3.486981     -3.008911      5.082197
  N      -3.297587     -2.131131      6.016299
  H      -3.095699     -2.428728      6.969130
  H      -3.396096     -1.139489      5.808450
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.302157975902
  N      -3.191476     -3.297810      2.186207
  C      -3.559971     -3.960346      0.923433
  C      -3.225905     -5.427234      0.997402
  N      -3.800376     -5.969442      2.244009
  C      -5.241020     -6.266142      2.112473
  C      -5.902522     -6.069494      3.459149
  N      -5.588989     -4.732943      3.999444
  Mo     -3.667449     -4.256336      3.875614
  N      -2.528188     -5.707031      4.605108
  C      -1.895938     -6.550814      3.580603
  C      -3.009474     -7.124552      2.726459
  H      -1.298886     -7.356241      4.025886
  H      -1.201865     -5.955537      2.963211
  H      -3.652356     -7.760977      3.348708
  H      -2.640758     -7.721013      1.874862
  H      -6.985720     -6.195378      3.328917
  H      -5.576669     -6.850649      4.169798
  H      -5.672396     -5.553674      1.396231
  H      -5.394894     -7.287137      1.723612
  H      -3.008014     -3.526943      0.078463
  H      -4.633125     -3.808705      0.705830
  H      -2.135624     -5.547972      1.045860
  H      -3.598259     -5.982709      0.119450
  C      -3.618463     -1.132856      1.013677
  C      -2.662020     -1.913264      1.935842
  C      -2.504839     -1.098687      3.214944
  C      -1.266763     -2.038970      1.263981
  C      -0.192856     -2.713168      2.117792
  C       0.994497     -3.268036      1.321599
  C       0.642707     -4.503973      0.486742
  C       1.802486     -4.896693     -0.450449
  C       3.180157     -4.564111      0.159658
  C       3.132178     -4.662035      1.685372
  C       2.160421     -3.618964      2.271693
  C      -6.409220     -2.760566      5.304364
  C      -6.784390     -4.051155      4.581795
  C      -7.472340     -4.969663      5.609949
  C      -7.778519     -3.709389      3.436993
  C      -7.247405     -2.709382      2.408127
  C      -8.048413     -2.629192      1.099606
  C      -9.543177     -2.359251      1.305072
  C     -10.227919     -1.999986     -0.029805
  C      -9.582880     -2.725859     -1.230150
  C      -9.003226     -4.074643     -0.800516
  C      -7.855412     -3.878031      0.209149
  C      -3.069919     -5.326295      7.016884
  C      -2.255815     -6.137757      6.008686
  C      -2.689351     -7.608345      6.184063
  C      -0.744432     -5.998244      6.321786
  C      -0.189258     -4.576805      6.215594
  C       1.339239     -4.495151      6.176820
  C       2.010205     -5.101105      7.417062
  C       3.536905     -4.993069      7.351463
  C       3.993592     -3.547305      7.139813
  C       3.325082     -2.931926      5.907536
  C       1.801341     -3.043824      5.989510
  H      -4.631362     -1.111271      1.441490
  H      -3.678557     -1.554496      0.002433
  H      -3.264374     -0.097474      0.915747
  H      -2.042504     -0.135251      2.959799
  H      -1.862463     -1.600369      3.945911
  H      -3.487851     -0.892980      3.661557
  H      -1.372554     -2.577259      0.310020
  H      -0.943552     -1.020788      0.993211
  H      -0.645701     -3.545915      2.687851
  H       0.189653     -2.001950      2.868163
  H       1.332963     -2.479647      0.623675
  H      -0.273557     -4.342880     -0.101885
  H       0.421703     -5.331384      1.185942
  H       1.742503     -5.973901     -0.671284
  H       1.692168     -4.375586     -1.414037
  H       3.479910     -3.541106     -0.121715
  H       3.948938     -5.233755     -0.252813
  H       2.806261     -5.677866      1.966279
  H       4.134471     -4.531253      2.119210
  H       1.738234     -4.000298      3.215676
  H       2.702115     -2.695635      2.531406
  H      -5.819465     -2.966025      6.205205
  H      -5.842365     -2.077779      4.660701
  H      -7.332837     -2.250807      5.611846
  H      -8.294752     -4.425533      6.094721
  H      -6.758328     -5.274577      6.389000
  H      -7.899661     -5.874927      5.159155
  H      -8.691709     -3.314979      3.909710
  H      -8.087507     -4.640060      2.936151
  H      -7.220663     -1.704503      2.859698
  H      -6.201703     -2.966444      2.166389
  H      -7.642825     -1.764183      0.544327
  H      -9.690570     -1.549322      2.037107
  H     -10.015056     -3.256241      1.739701
  H     -10.177815     -0.911947     -0.191025
  H     -11.297114     -2.255277      0.030140
  H     -10.320018     -2.856602     -2.035716
  H      -8.771704     -2.109125     -1.651711
  H      -9.805040     -4.677465     -0.342443
  H      -8.648781     -4.646012     -1.671378
  H      -6.896003     -3.782399     -0.327212
  H      -7.770210     -4.778915      0.838902
  H      -2.970435     -5.787736      8.008282
  H      -2.706568     -4.299126      7.097886
  H      -4.136004     -5.311915      6.749190
  H      -2.136891     -8.302392      5.537867
  H      -2.507020     -7.917440      7.222391
  H      -3.763817     -7.717148      5.976703
  H      -0.578428     -6.400126      7.333498
  H      -0.180302     -6.657258      5.640664
  H      -0.547844     -3.965459      7.061890
  H      -0.587040     -4.106836      5.299595
  H       1.683655     -5.073789      5.295697
  H       1.642559     -4.564001      8.311378
  H       1.715912     -6.155048      7.538767
  H       3.984536     -5.406568      8.268356
  H       3.904542     -5.613418      6.514731
  H       5.089389     -3.503091      7.043376
  H       3.731161     -2.949470      8.030756
  H       3.625312     -1.878760      5.791936
  H       3.673594     -3.461788      5.003616
  H       1.335404     -2.616627      5.086329
  H       1.436831     -2.446083      6.845559
  N      -3.512359     -3.004355      5.108937
  N      -3.336879     -2.128492      6.048116
  H      -3.220826     -2.428176      7.014506
  H      -3.422733     -1.136109      5.838148
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.302364367468
  N      -3.187266     -3.294136      2.187510
  C      -3.554271     -3.954443      0.923060
  C      -3.216899     -5.420872      0.996317
  N      -3.797302     -5.965041      2.240004
  C      -5.236429     -6.266520      2.099509
  C      -5.903397     -6.075134      3.443759
  N      -5.596210     -4.738135      3.986520
  Mo     -3.675936     -4.252426      3.873360
  N      -2.533700     -5.695283      4.613729
  C      -1.899539     -6.539769      3.590589
  C      -3.006855     -7.116942      2.730958
  H      -1.302267     -7.344812      4.036261
  H      -1.205955     -5.942142      2.974832
  H      -3.652442     -7.754283      3.349547
  H      -2.630531     -7.713988      1.883092
  H      -6.985883     -6.204614      3.311873
  H      -5.576015     -6.856146      4.153975
  H      -5.667644     -5.555029      1.382398
  H      -5.383964     -7.287801      1.708853
  H      -3.003997     -3.517249      0.079273
  H      -4.627847     -3.806201      0.705730
  H      -2.126638     -5.539694      1.048842
  H      -3.585169     -5.976593      0.116765
  C      -3.604229     -1.122675      1.027374
  C      -2.649918     -1.911790      1.945060
  C      -2.488834     -1.106215      3.229699
  C      -1.254565     -2.037498      1.272140
  C      -0.179830     -2.711785      2.125283
  C       1.002481     -3.272991      1.326050
  C       0.645693     -4.518045      0.506907
  C       1.797915     -4.918801     -0.436357
  C       3.180074     -4.575657      0.157264
  C       3.146831     -4.658192      1.684276
  C       2.177295     -3.612265      2.269203
  C      -6.432514     -2.774869      5.299161
  C      -6.796124     -4.065180      4.570869
  C      -7.479263     -4.991877      5.594844
  C      -7.792211     -3.723942      3.426423
  C      -7.265717     -2.716252      2.402613
  C      -8.068192     -2.631095      1.095462
  C      -9.562795     -2.362753      1.303950
  C     -10.249425     -1.997556     -0.028556
  C      -9.602615     -2.714220     -1.233222
  C      -9.023410     -4.065961     -0.812402
  C      -7.876302     -3.876141      0.199709
  C      -3.048290     -5.293413      7.026678
  C      -2.251708     -6.119638      6.017175
  C      -2.695013     -7.586052      6.201288
  C      -0.736217     -5.989598      6.320107
  C      -0.173600     -4.571305      6.209658
  C       1.355340     -4.496458      6.169643
  C       2.023806     -5.107254      7.408927
  C       3.550889     -5.005134      7.344004
  C       4.013180     -3.560649      7.136264
  C       3.348298     -2.939980      5.904788
  C       1.823913     -3.046518      5.984789
  H      -4.619392     -1.108326      1.450134
  H      -3.658195     -1.534939      0.011880
  H      -3.252721     -0.085247      0.941033
  H      -2.010074     -0.148551      2.983815
  H      -1.859283     -1.623457      3.961539
  H      -3.471980     -0.888535      3.670540
  H      -1.360461     -2.575235      0.317901
  H      -0.932863     -1.018622      1.002185
  H      -0.634201     -3.540461      2.699617
  H       0.207214     -1.999332      2.872023
  H       1.333210     -2.491176      0.616976
  H      -0.276004     -4.364372     -0.075367
  H       0.432938     -5.338575      1.216756
  H       1.738662     -5.998666     -0.644373
  H       1.677578     -4.409019     -1.404886
  H       3.473387     -3.554340     -0.137020
  H       3.947355     -5.246605     -0.255967
  H       2.827452     -5.672158      1.979422
  H       4.152904     -4.519649      2.106968
  H       1.764016     -3.985466      3.220428
  H       2.718668     -2.684881      2.515202
  H      -5.849694     -2.979964      6.204515
  H      -5.863533     -2.087755      4.662026
  H      -7.360881     -2.269804      5.600095
  H      -8.306345     -4.455464      6.080422
  H      -6.763928     -5.294106      6.373857
  H      -7.899494     -5.898736      5.140415
  H      -8.706638     -3.335623      3.901799
  H      -8.097949     -4.653533      2.921559
  H      -7.241868     -1.713870      2.859980
  H      -6.219202     -2.968006      2.158819
  H      -7.663466     -1.763591      0.543370
  H      -9.709790     -1.556616      2.040297
  H     -10.033662     -3.262196      1.734825
  H     -10.203295     -0.908387     -0.183582
  H     -11.317754     -2.256977      0.030309
  H     -10.338390     -2.838662     -2.041082
  H      -8.790627     -2.094333     -1.648786
  H      -9.825708     -4.671808     -0.359079
  H      -8.668283     -4.631537     -1.686811
  H      -6.915820     -3.780365     -0.334898
  H      -7.793811     -4.779984      0.825701
  H      -2.941330     -5.746679      8.020967
  H      -2.672079     -4.269277      7.090190
  H      -4.117461     -5.271367      6.770974
  H      -2.148512     -8.285906      5.555913
  H      -2.511354     -7.892033      7.240370
  H      -3.770879     -7.689052      5.997664
  H      -0.567158     -6.390411      7.331670
  H      -0.180267     -6.653949      5.637641
  H      -0.528685     -3.956461      7.054782
  H      -0.570398     -4.100158      5.293738
  H       1.697063     -5.075631      5.287665
  H       1.657914     -4.570212      8.304140
  H       1.725065     -6.160216      7.528874
  H       3.996786     -5.422988      8.259841
  H       3.916170     -5.624699      6.505545
  H       5.109306     -3.520176      7.041294
  H       3.751808     -2.963929      8.028382
  H       3.652712     -1.887710      5.791602
  H       3.695788     -3.469165      4.999964
  H       1.360251     -2.616052      5.082043
  H       1.460383     -2.448800      6.841333
  N      -3.535912     -3.002205      5.108762
  N      -3.373556     -2.123466      6.047853
  H      -3.354740     -2.419775      7.022148
  H      -3.477391     -1.133920      5.831717
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.302624069955
  N      -3.185294     -3.293438      2.183756
  C      -3.547775     -3.952700      0.916140
  C      -3.207933     -5.419130      0.993218
  N      -3.797354     -5.962682      2.233955
  C      -5.236420     -6.266082      2.083282
  C      -5.909747     -6.080264      3.425185
  N      -5.605463     -4.742683      3.970806
  Mo     -3.687143     -4.248748      3.865744
  N      -2.540509     -5.679107      4.620929
  C      -1.908004     -6.530143      3.601603
  C      -3.010704     -7.111477      2.738330
  H      -1.311423     -7.333514      4.051238
  H      -1.212940     -5.936458      2.983382
  H      -3.660877     -7.746147      3.355039
  H      -2.627778     -7.713614      1.897068
  H      -6.991332     -6.212391      3.290422
  H      -5.583821     -6.863917      4.133318
  H      -5.666724     -5.555235      1.365530
  H      -5.379995     -7.286960      1.689768
  H      -2.997470     -3.514078      0.073719
  H      -4.620749     -3.808879      0.694060
  H      -2.117682     -5.535174      1.051550
  H      -3.570242     -5.977546      0.112831
  C      -3.591441     -1.117604      1.029075
  C      -2.641654     -1.911033      1.949571
  C      -2.487081     -1.107667      3.236843
  C      -1.241429     -2.035909      1.284660
  C      -0.170733     -2.712047      2.142245
  C       1.011707     -3.275328      1.344655
  C       0.654204     -4.525265      0.532849
  C       1.803577     -4.929030     -0.413132
  C       3.187110     -4.577125      0.171888
  C       3.161678     -4.652921      1.699269
  C       2.189959     -3.609157      2.285087
  C      -6.454591     -2.788828      5.294392
  C      -6.809597     -4.077583      4.559876
  C      -7.487412     -5.011492      5.580646
  C      -7.808041     -3.735026      3.416647
  C      -7.286765     -2.720139      2.396985
  C      -8.091302     -2.632575      1.091223
  C      -9.585824     -2.366715      1.303211
  C     -10.276029     -1.999656     -0.027318
  C      -9.628369     -2.710330     -1.234922
  C      -9.048085     -4.063125     -0.819268
  C      -7.900242     -3.876050      0.192976
  C      -3.021499     -5.247429      7.034432
  C      -2.244870     -6.093401      6.024852
  C      -2.703008     -7.553964      6.219764
  C      -0.725419     -5.976436      6.315222
  C      -0.152126     -4.562476      6.200159
  C       1.377828     -4.498191      6.155252
  C       2.044355     -5.124607      7.388148
  C       3.572005     -5.032515      7.321649
  C       4.043622     -3.589161      7.128106
  C       3.382535     -2.952168      5.902993
  C       1.857285     -3.049504      5.983083
  H      -4.610952     -1.112996      1.441569
  H      -3.632455     -1.523589      0.010470
  H      -3.246410     -0.077052      0.952676
  H      -2.004041     -0.151389      2.994587
  H      -1.863565     -1.627401      3.973206
  H      -3.472371     -0.887029      3.671599
  H      -1.341768     -2.570803      0.328103
  H      -0.918901     -1.016205      1.018458
  H      -0.627067     -3.538527      2.716645
  H       0.215103     -2.000511      2.890688
  H       1.339776     -2.496234      0.631217
  H      -0.269987     -4.376253     -0.047173
  H       0.445028     -5.342774      1.247459
  H       1.746231     -6.010420     -0.614679
  H       1.677246     -4.425902     -1.384647
  H       3.474137     -3.555622     -0.128614
  H       3.955670     -5.246056     -0.242620
  H       2.850093     -5.667352      2.001860
  H       4.169443     -4.507749      2.116308
  H       1.781356     -3.982207      3.238781
  H       2.728511     -2.678674      2.526868
  H      -5.876395     -2.995648      6.202544
  H      -5.886108     -2.095248      4.663325
  H      -7.387069     -2.289820      5.593167
  H      -8.315900     -4.482057      6.071676
  H      -6.768052     -5.314022      6.356197
  H      -7.904666     -5.917862      5.122151
  H      -8.723325     -3.352311      3.895247
  H      -8.112772     -4.662859      2.907565
  H      -7.265652     -1.719795      2.859266
  H      -6.239331     -2.966244      2.150488
  H      -7.688210     -1.763606      0.540164
  H      -9.732622     -1.562543      2.042053
  H     -10.054738     -3.267628      1.733633
  H     -10.234872     -0.909715     -0.179508
  H     -11.343466     -2.263276      0.032458
  H     -10.363844     -2.831419     -2.043784
  H      -8.816815     -2.087893     -1.648093
  H      -9.849878     -4.671011     -0.367411
  H      -8.693435     -4.626219     -1.695690
  H      -6.939085     -3.780365     -0.340925
  H      -7.818284     -4.781336      0.817392
  H      -2.910795     -5.693728      8.031701
  H      -2.622744     -4.229953      7.082709
  H      -4.092974     -5.209619      6.789660
  H      -2.170266     -8.262119      5.571144
  H      -2.512975     -7.859434      7.258090
  H      -3.782156     -7.644998      6.026512
  H      -0.553656     -6.376794      7.326406
  H      -0.179250     -6.648119      5.632051
  H      -0.498723     -3.944390      7.046351
  H      -0.549606     -4.086264      5.286922
  H       1.713416     -5.072441      5.267612
  H       1.683448     -4.593586      8.289265
  H       1.737988     -6.176563      7.499549
  H       4.017029     -5.463240      8.232217
  H       3.931820     -5.646256      6.476305
  H       5.140233     -3.554514      7.033920
  H       3.786244     -2.999383      8.026266
  H       3.694224     -1.900846      5.799657
  H       3.726862     -3.474235      4.992459
  H       1.394782     -2.607165      5.085454
  H       1.498073     -2.457009      6.845217
  N      -3.562003     -2.997418      5.098013
  N      -3.407679     -2.116579      6.037056
  H      -3.479976     -2.413583      7.009149
  H      -3.554458     -1.133496      5.813112
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.302816678725
  N      -3.182799     -3.293574      2.191248
  C      -3.541004     -3.951708      0.921644
  C      -3.199154     -5.417860      1.001094
  N      -3.796423     -5.960917      2.238435
  C      -5.233644     -6.268018      2.077087
  C      -5.914966     -6.086189      3.415204
  N      -5.615706     -4.748235      3.963213
  Mo     -3.698812     -4.245672      3.869930
  N      -2.549294     -5.666715      4.637385
  C      -1.915013     -6.521079      3.621172
  C      -3.011917     -7.106034      2.753542
  H      -1.319883     -7.323658      4.074000
  H      -1.217976     -5.929167      3.003280
  H      -3.665816     -7.739574      3.367585
  H      -2.621735     -7.711223      1.917787
  H      -6.995525     -6.220938      3.275680
  H      -5.591100     -6.870559      4.123442
  H      -5.661830     -5.558055      1.357375
  H      -5.371614     -7.288927      1.681469
  H      -2.990025     -3.511295      0.080775
  H      -4.613572     -3.810900      0.696218
  H      -2.109121     -5.532123      1.065416
  H      -3.555911     -5.977908      0.119469
  C      -3.585350     -1.114651      1.044468
  C      -2.635421     -1.911696      1.962341
  C      -2.479862     -1.112910      3.252367
  C      -1.235544     -2.034924      1.296271
  C      -0.162130     -2.709792      2.151634
  C       1.016814     -3.273277      1.348850
  C       0.657647     -4.530275      0.548603
  C       1.799880     -4.935398     -0.405644
  C       3.186913     -4.570284      0.162487
  C       3.178041     -4.636427      1.690429
  C       2.204979     -3.596024      2.280339
  C      -6.481036     -2.802484      5.292093
  C      -6.825274     -4.090413      4.551372
  C      -7.501908     -5.031402      5.566159
  C      -7.821190     -3.747281      3.405638
  C      -7.299200     -2.727767      2.390816
  C      -8.101271     -2.635706      1.083811
  C      -9.595735     -2.368336      1.294236
  C     -10.283685     -1.996548     -0.036339
  C      -9.632625     -2.701662     -1.245193
  C      -9.056144     -4.057440     -0.834192
  C      -7.911049     -3.877158      0.182608
  C      -3.001372     -5.210344      7.051415
  C      -2.242795     -6.072506      6.041795
  C      -2.712574     -7.527659      6.248546
  C      -0.720260     -5.966383      6.320083
  C      -0.137307     -4.557139      6.196927
  C       1.393054     -4.503885      6.145363
  C       2.059943     -5.138396      7.374085
  C       3.587881     -5.056654      7.302042
  C       4.068650     -3.615963      7.111673
  C       3.407843     -2.970579      5.890868
  C       1.882277     -3.057943      5.975902
  H      -4.606460     -1.118161      1.453128
  H      -3.620388     -1.514681      0.023156
  H      -3.245602     -0.071801      0.975736
  H      -1.987902     -0.160269      3.014078
  H      -1.864292     -1.639468      3.991080
  H      -3.465333     -0.884598      3.682636
  H      -1.336108     -2.568792      0.339105
  H      -0.915330     -1.014398      1.030341
  H      -0.615848     -3.534980      2.729633
  H       0.225942     -1.997197      2.897973
  H       1.335269     -2.497382      0.627580
  H      -0.272654     -4.389487     -0.023827
  H       0.459005     -5.343834      1.270705
  H       1.746700     -6.018732     -0.597974
  H       1.660827     -4.441194     -1.380083
  H       3.463418     -3.548664     -0.147535
  H       3.955909     -5.236220     -0.256130
  H       2.877854     -5.651207      2.003470
  H       4.189187     -4.481376      2.095780
  H       1.807264     -3.967561      3.239166
  H       2.739655     -2.660917      2.513085
  H      -5.909860     -3.010192      6.204540
  H      -5.911222     -2.103652      4.668025
  H      -7.418115     -2.308897      5.585586
  H      -8.334691     -4.508682      6.057162
  H      -6.782851     -5.333096      6.342452
  H      -7.913020     -5.938077      5.102599
  H      -8.738436     -3.367929      3.883286
  H      -8.123611     -4.673872      2.892936
  H      -7.279949     -1.729223      2.857194
  H      -6.250820     -2.971390      2.145452
  H      -7.695890     -1.765961      0.535689
  H      -9.742616     -1.566272      2.035434
  H     -10.066574     -3.269795      1.721549
  H     -10.244037     -0.905928     -0.184323
  H     -11.350938     -2.261878      0.020132
  H     -10.365131     -2.816892     -2.057664
  H      -8.818469     -2.078367     -1.652094
  H      -9.860510     -4.665884     -0.387574
  H      -8.699956     -4.617484     -1.712000
  H      -6.947394     -3.783497     -0.347326
  H      -7.834410     -4.784508      0.804760
  H      -2.882343     -5.647559      8.051829
  H      -2.589305     -4.197180      7.081972
  H      -4.075309     -5.165226      6.819068
  H      -2.189854     -8.243546      5.600047
  H      -2.518859     -7.830034      7.287224
  H      -3.793677     -7.609892      6.062081
  H      -0.545434     -6.364218      7.331693
  H      -0.183371     -6.645518      5.637029
  H      -0.475183     -3.933521      7.042479
  H      -0.535985     -4.079642      5.284752
  H       1.721156     -5.078232      5.255012
  H       1.705908     -4.607756      8.278229
  H       1.746582     -6.188539      7.483818
  H       4.033657     -5.493903      8.209215
  H       3.940219     -5.670026      6.453198
  H       5.165249     -3.588228      7.014349
  H       3.818192     -3.027343      8.012636
  H       3.726302     -1.921024      5.789784
  H       3.745878     -3.491614      4.977290
  H       1.419165     -2.609369      5.081681
  H       1.529774     -2.465705      6.840998
  N      -3.589096     -2.993800      5.101187
  N      -3.444785     -2.109567      6.041060
  H      -3.615295     -2.403999      7.002219
  H      -3.625173     -1.134707      5.803396
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.302786283232
  N      -3.181852     -3.314347      2.206150
  C      -3.525013     -3.974029      0.930315
  C      -3.192324     -5.442674      1.025584
  N      -3.805630     -5.973883      2.258614
  C      -5.242752     -6.275720      2.081722
  C      -5.941763     -6.092084      3.412144
  N      -5.634954     -4.753836      3.963138
  Mo     -3.718508     -4.250131      3.881682
  N      -2.566439     -5.656814      4.664260
  C      -1.934827     -6.529224      3.658703
  C      -3.032102     -7.115808      2.793302
  H      -1.349804     -7.329055      4.128743
  H      -1.222473     -5.963644      3.032866
  H      -3.695053     -7.736848      3.410727
  H      -2.639644     -7.737351      1.970652
  H      -7.019809     -6.223624      3.254362
  H      -5.638230     -6.884405      4.119820
  H      -5.660125     -5.564582      1.357344
  H      -5.383490     -7.294332      1.680410
  H      -2.961680     -3.543747      0.092297
  H      -4.592251     -3.831546      0.683142
  H      -2.103297     -5.557457      1.102404
  H      -3.538978     -6.009663      0.144462
  C      -3.595855     -1.143260      1.040713
  C      -2.644386     -1.923940      1.972232
  C      -2.510757     -1.105428      3.251095
  C      -1.240201     -2.042701      1.318685
  C      -0.166501     -2.712728      2.177114
  C       1.023611     -3.251871      1.373238
  C       0.681941     -4.506386      0.560623
  C       1.828839     -4.886304     -0.399289
  C       3.210396     -4.499571      0.167849
  C       3.207940     -4.582443      1.694505
  C       2.214186     -3.570673      2.302162
  C      -6.501483     -2.809632      5.293841
  C      -6.850674     -4.093154      4.546452
  C      -7.537970     -5.032972      5.553803
  C      -7.832323     -3.740845      3.393786
  C      -7.293184     -2.734729      2.373984
  C      -8.092038     -2.641761      1.063805
  C      -9.582149     -2.348802      1.271822
  C     -10.266435     -1.981185     -0.062065
  C      -9.627439     -2.709709     -1.263764
  C      -9.072312     -4.069364     -0.837577
  C      -7.922411     -3.896044      0.174758
  C      -2.995485     -5.170840      7.079709
  C      -2.242415     -6.046854      6.072115
  C      -2.724562     -7.496539      6.294227
  C      -0.723029     -5.947374      6.334850
  C      -0.129651     -4.544513      6.196536
  C       1.401422     -4.511618      6.120379
  C       2.079107     -5.174430      7.329073
  C       3.606679     -5.113594      7.231537
  C       4.105257     -3.677234      7.054987
  C       3.432837     -3.003833      5.855563
  C       1.908649     -3.070233      5.968287
  H      -4.618171     -1.155553      1.446422
  H      -3.620894     -1.554057      0.023162
  H      -3.269665     -0.097209      0.962323
  H      -2.047974     -0.144182      2.989263
  H      -1.880086     -1.590985      4.005774
  H      -3.500350     -0.892281      3.678155
  H      -1.333452     -2.573167      0.358367
  H      -0.918629     -1.022557      1.052157
  H      -0.604555     -3.547098      2.752687
  H       0.206421     -1.999995      2.932290
  H       1.336821     -2.463915      0.663319
  H      -0.250389     -4.374842     -0.011165
  H       0.490596     -5.329349      1.273976
  H       1.792442     -5.968884     -0.600198
  H       1.678114     -4.389167     -1.370704
  H       3.465822     -3.469971     -0.133954
  H       3.991285     -5.145407     -0.260636
  H       2.933775     -5.607623      1.997754
  H       4.217098     -4.410977      2.099144
  H       1.824525     -3.970787      3.252632
  H       2.729895     -2.629642      2.553849
  H      -5.929280     -3.027064      6.204515
  H      -5.937901     -2.101351      4.673942
  H      -7.438857     -2.323331      5.599035
  H      -8.366906     -4.509234      6.049770
  H      -6.819890     -5.345352      6.327142
  H      -7.955428     -5.932525      5.082215
  H      -8.749316     -3.348418      3.862173
  H      -8.145828     -4.665038      2.883225
  H      -7.260832     -1.733247      2.833714
  H      -6.247444     -2.994197      2.130799
  H      -7.672637     -1.784643      0.506978
  H      -9.715686     -1.535885      2.004103
  H     -10.067477     -3.236505      1.711457
  H     -10.211994     -0.892883     -0.222572
  H     -11.337682     -2.229293     -0.001085
  H     -10.363007     -2.822463     -2.074098
  H      -8.805313     -2.103558     -1.680664
  H      -9.885632     -4.658905     -0.381632
  H      -8.728127     -4.647762     -1.708478
  H      -6.957232     -3.823245     -0.356003
  H      -7.858630     -4.798076      0.806081
  H      -2.867811     -5.599859      8.083903
  H      -2.572134     -4.161476      7.104618
  H      -4.069851     -5.127465      6.856308
  H      -2.226569     -8.222575      5.637599
  H      -2.515906     -7.803004      7.329324
  H      -3.810057     -7.559794      6.127161
  H      -0.546056     -6.341135      7.347675
  H      -0.191603     -6.636036      5.656556
  H      -0.441584     -3.913145      7.046262
  H      -0.539048     -4.061365      5.291786
  H       1.707672     -5.075224      5.216430
  H       1.747631     -4.655417      8.248312
  H       1.752549     -6.221874      7.428118
  H       4.062664     -5.572012      8.123420
  H       3.936306     -5.719902      6.368538
  H       5.200710     -3.663085      6.940398
  H       3.880040     -3.098594      7.969081
  H       3.764455     -1.957134      5.765933
  H       3.749595     -3.512294      4.927122
  H       1.433709     -2.597662      5.092338
  H       1.581230     -2.487799      6.849619
  N      -3.617808     -2.987070      5.095187
  N      -3.444776     -2.106623      6.047707
  H      -3.663941     -2.419063      6.996954
  H      -3.665167     -1.136581      5.809997
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303187623640
  N      -3.180845     -3.296343      2.208700
  C      -3.535007     -3.947507      0.934094
  C      -3.197684     -5.415272      1.012227
  N      -3.801116     -5.958047      2.245348
  C      -5.235420     -6.267186      2.072624
  C      -5.928600     -6.091193      3.405679
  N      -5.627921     -4.756470      3.962505
  Mo     -3.711609     -4.246772      3.881302
  N      -2.556027     -5.660873      4.650829
  C      -1.922622     -6.518773      3.634405
  C      -3.018578     -7.101197      2.765517
  H      -1.334078     -7.324272      4.090509
  H      -1.216601     -5.936724      3.016880
  H      -3.676161     -7.732012      3.378623
  H      -2.625353     -7.710865      1.934262
  H      -7.007576     -6.223710      3.253505
  H      -5.616136     -6.881546      4.111772
  H      -5.657710     -5.553565      1.352790
  H      -5.370133     -7.285396      1.668753
  H      -2.979634     -3.507258      0.095844
  H      -4.605854     -3.802986      0.702621
  H      -2.108120     -5.530531      1.081530
  H      -3.550280     -5.974131      0.128310
  C      -3.579856     -1.113817      1.066542
  C      -2.630489     -1.913202      1.982528
  C      -2.474040     -1.115810      3.272501
  C      -1.233657     -2.039000      1.315605
  C      -0.161407     -2.721632      2.165045
  C       1.013517     -3.281349      1.353691
  C       0.650555     -4.539125      0.556295
  C       1.785015     -4.941569     -0.408511
  C       3.175452     -4.565603      0.143592
  C       3.185033     -4.632822      1.671275
  C       2.209311     -3.602155      2.275154
  C      -6.498814     -2.819195      5.299893
  C      -6.842411     -4.101955      4.548551
  C      -7.525876     -5.048902      5.552410
  C      -7.827911     -3.749939      3.398535
  C      -7.292356     -2.737286      2.383963
  C      -8.089159     -2.640446      1.073686
  C      -9.580915     -2.354444      1.279431
  C     -10.262253     -1.980750     -0.054011
  C      -9.614585     -2.695956     -1.258739
  C      -9.055667     -4.057176     -0.842057
  C      -7.911571     -3.887711      0.177432
  C      -2.990577     -5.195092      7.066953
  C      -2.234845     -6.060396      6.055421
  C      -2.703589     -7.514612      6.270726
  C      -0.713747     -5.950700      6.322428
  C      -0.130794     -4.543015      6.190125
  C       1.399861     -4.494892      6.132922
  C       2.069907     -5.137071      7.356232
  C       3.597681     -5.058229      7.278235
  C       4.081177     -3.617816      7.093069
  C       3.416741     -2.965751      5.877786
  C       1.891911     -3.049916      5.969628
  H      -4.600438     -1.120525      1.476456
  H      -3.614216     -1.511426      0.043973
  H      -3.242127     -0.070497      1.000608
  H      -1.977579     -0.166275      3.030231
  H      -1.864406     -1.637718      4.019183
  H      -3.459021     -0.878329      3.697767
  H      -1.337240     -2.566215      0.354978
  H      -0.907444     -1.019476      1.053079
  H      -0.612314     -3.549113      2.742535
  H       0.228966     -2.013065      2.914468
  H       1.326028     -2.504135      0.631647
  H      -0.285086     -4.401433     -0.008245
  H       0.458651     -5.352730      1.280027
  H       1.735819     -6.025774     -0.596432
  H       1.632318     -4.452583     -1.383468
  H       3.439808     -3.542004     -0.169928
  H       3.944889     -5.225037     -0.284354
  H       2.898970     -5.650792      1.986875
  H       4.199408     -4.469241      2.065041
  H       1.821644     -3.984158      3.233531
  H       2.738972     -2.665129      2.510748
  H      -5.931980     -3.036791      6.213369
  H      -5.929092     -2.113536      4.683938
  H      -7.436916     -2.330019      5.597403
  H      -8.359119     -4.529050      6.045316
  H      -6.809916     -5.359302      6.327997
  H      -7.937247     -5.950087      5.079037
  H      -8.744832     -3.362552      3.870518
  H      -8.136352     -4.673921      2.885008
  H      -7.265221     -1.737836      2.848046
  H      -6.245734     -2.991769      2.142178
  H      -7.671872     -1.777974      0.523394
  H      -9.719619     -1.547220      2.016561
  H     -10.063552     -3.247738      1.710310
  H     -10.213219     -0.891112     -0.205623
  H     -11.331841     -2.236520      0.000718
  H     -10.345343     -2.804598     -2.073671
  H      -8.792297     -2.082942     -1.664616
  H      -9.868473     -4.654288     -0.395577
  H      -8.704114     -4.624889     -1.716711
  H      -6.944977     -3.808551     -0.349306
  H      -7.848545     -4.793412      0.803168
  H      -2.853441     -5.621961      8.069918
  H      -2.588077     -4.178073      7.084670
  H      -4.067025     -5.167810      6.847905
  H      -2.188622     -8.232898      5.619007
  H      -2.501921     -7.817136      7.307896
  H      -3.786019     -7.593197      6.092349
  H      -0.535516     -6.344760      7.334984
  H      -0.176746     -6.632477      5.642089
  H      -0.461805     -3.913538      7.033966
  H      -0.532640     -4.067865      5.278147
  H       1.723167     -5.065282      5.238760
  H       1.720082     -4.611528      8.264691
  H       1.755364     -6.187241      7.461566
  H       4.046502     -5.501446      8.180961
  H       3.945367     -5.668350      6.425271
  H       5.177431     -3.591838      6.992031
  H       3.835926     -3.032790      7.997631
  H       3.736376     -1.916184      5.780776
  H       3.751063     -3.481828      4.960262
  H       1.425223     -2.594722      5.080399
  H       1.545002     -2.461488      6.839340
  N      -3.610268     -2.998293      5.111836
  N      -3.450227     -2.119623      6.068888
  H      -3.743468     -2.420024      7.000684
  H      -3.669260     -1.152101      5.824299
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303260059445
  N      -3.187870     -3.285831      2.224193
  C      -3.546388     -3.934094      0.950737
  C      -3.210192     -5.402179      1.020959
  N      -3.807395     -5.949685      2.255033
  C      -5.241106     -6.259155      2.087011
  C      -5.931097     -6.082937      3.421192
  N      -5.630165     -4.750469      3.979703
  Mo     -3.712197     -4.244332      3.896109
  N      -2.557746     -5.667967      4.653438
  C      -1.923500     -6.519332      3.633119
  C      -3.021843     -7.096436      2.763812
  H      -1.335427     -7.328146      4.084343
  H      -1.217704     -5.932028      3.020856
  H      -3.676482     -7.730613      3.376499
  H      -2.632681     -7.700242      1.926393
  H      -7.010677     -6.212405      3.269271
  H      -5.617927     -6.872234      4.128296
  H      -5.664103     -5.543297      1.369259
  H      -5.376352     -7.276910      1.682668
  H      -2.991303     -3.491873      0.113081
  H      -4.618071     -3.784898      0.724896
  H      -2.120504     -5.519657      1.085684
  H      -3.567233     -5.956030      0.135749
  C      -3.587372     -1.099375      1.091793
  C      -2.635388     -1.904592      1.998207
  C      -2.467602     -1.114509      3.291679
  C      -1.243732     -2.031100      1.320537
  C      -0.166502     -2.716925      2.160832
  C       1.004623     -3.274150      1.342362
  C       0.638488     -4.526849      0.539114
  C       1.771107     -4.926141     -0.428779
  C       3.162916     -4.555240      0.123118
  C       3.174798     -4.629814      1.650578
  C       2.202135     -3.599938      2.260085
  C      -6.496397     -2.805800      5.306494
  C      -6.842723     -4.090049      4.558746
  C      -7.533628     -5.031503      5.563010
  C      -7.823174     -3.740631      3.404099
  C      -7.280302     -2.735635      2.386226
  C      -8.067167     -2.648809      1.069588
  C      -9.561349     -2.365587      1.261065
  C     -10.232244     -2.002509     -0.080339
  C      -9.573307     -2.724204     -1.275019
  C      -9.012969     -4.080745     -0.844836
  C      -7.877669     -3.900479      0.182383
  C      -3.004963     -5.214770      7.070238
  C      -2.244336     -6.072808      6.057604
  C      -2.708729     -7.528499      6.270494
  C      -0.723101     -5.961670      6.327562
  C      -0.139211     -4.554977      6.189169
  C       1.390973     -4.507619      6.133472
  C       2.061043     -5.128588      7.367197
  C       3.588801     -5.050405      7.287857
  C       4.072093     -3.613396      7.076746
  C       3.406869     -2.983108      5.850444
  C       1.882070     -3.065816      5.944164
  H      -4.604094     -1.098016      1.510977
  H      -3.634415     -1.493967      0.068717
  H      -3.240663     -0.059010      1.025914
  H      -1.970582     -0.164020      3.053754
  H      -1.853928     -1.643347      4.028927
  H      -3.449286     -0.878846      3.726086
  H      -1.354439     -2.556705      0.359894
  H      -0.917584     -1.011394      1.059042
  H      -0.616795     -3.547143      2.735452
  H       0.228615     -2.011341      2.910090
  H       1.315537     -2.494025      0.622786
  H      -0.297651     -4.384082     -0.023093
  H       0.447074     -5.343806      1.259107
  H       1.720912     -6.009502     -0.620558
  H       1.617911     -4.432481     -1.401101
  H       3.428529     -3.530701     -0.185734
  H       3.930221     -5.214448     -0.308641
  H       2.885684     -5.648442      1.960681
  H       4.189918     -4.469853      2.043283
  H       1.814838     -3.984359      3.217502
  H       2.734269     -2.665368      2.498680
  H      -5.932832     -3.022367      6.221921
  H      -5.920320     -2.107174      4.688879
  H      -7.432437     -2.309741      5.598564
  H      -8.367419     -4.505498      6.048385
  H      -6.824160     -5.342223      6.344061
  H      -7.946002     -5.932959      5.091358
  H      -8.740850     -3.348275      3.870000
  H      -8.129866     -4.667249      2.894548
  H      -7.256631     -1.732665      2.842586
  H      -6.232521     -2.992875      2.154172
  H      -7.647773     -1.788280      0.517788
  H      -9.708161     -1.553843      1.991346
  H     -10.044899     -3.257740      1.692984
  H     -10.183660     -0.913912     -0.238491
  H     -11.301498     -2.260540     -0.032869
  H     -10.297581     -2.841479     -2.094336
  H      -8.749853     -2.111346     -1.678343
  H      -9.827091     -4.677802     -0.400989
  H      -8.652114     -4.651993     -1.713182
  H      -6.908159     -3.820035     -0.338341
  H      -7.815604     -4.801964      0.814021
  H      -2.869799     -5.645289      8.071516
  H      -2.615589     -4.193760      7.094764
  H      -4.081175     -5.194602      6.846663
  H      -2.187534     -8.245670      5.622927
  H      -2.510951     -7.827221      7.309141
  H      -3.789768     -7.612655      6.087158
  H      -0.544917     -6.351494      7.341845
  H      -0.186310     -6.645012      5.648435
  H      -0.473088     -3.920136      7.027819
  H      -0.538058     -4.088423      5.271775
  H       1.714670     -5.093075      5.249104
  H       1.711172     -4.586981      8.265966
  H       1.747548     -6.176942      7.490010
  H       4.037152     -5.476822      8.198631
  H       3.936371     -5.675122      6.445649
  H       5.168040     -3.589596      6.973860
  H       3.827082     -3.012578      7.970750
  H       3.726080     -1.935428      5.734641
  H       3.739954     -3.516445      4.942666
  H       1.416322     -2.627347      5.046278
  H       1.535579     -2.462190      6.803465
  N      -3.601603     -3.000928      5.132751
  N      -3.432764     -2.126376      6.094248
  H      -3.717102     -2.419920      7.030635
  H      -3.621657     -1.150360      5.858747
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303336414781
  N      -3.189020     -3.286753      2.225468
  C      -3.545075     -3.934152      0.951279
  C      -3.206937     -5.401921      1.019936
  N      -3.803358     -5.951527      2.253650
  C      -5.235691     -6.265108      2.083410
  C      -5.928540     -6.091664      3.416230
  N      -5.630319     -4.760291      3.977652
  Mo     -3.713569     -4.248142      3.895257
  N      -2.552081     -5.667935      4.650668
  C      -1.917436     -6.519308      3.631082
  C      -3.015445     -7.097009      2.761839
  H      -1.331072     -7.328986      4.083319
  H      -1.209302     -5.933229      3.020429
  H      -3.668943     -7.731554      3.375376
  H      -2.626384     -7.700552      1.924209
  H      -7.007674     -6.221195      3.260902
  H      -5.616797     -6.881357      4.123508
  H      -5.659140     -5.548814      1.366269
  H      -5.367337     -7.282456      1.677062
  H      -2.988624     -3.490677      0.115221
  H      -4.616490     -3.784539      0.724340
  H      -2.117033     -5.517796      1.084946
  H      -3.562758     -5.955378      0.134060
  C      -3.580469     -1.096719      1.097505
  C      -2.631209     -1.907022      2.001908
  C      -2.460166     -1.120857      3.297570
  C      -1.240549     -2.038483      1.323893
  C      -0.169975     -2.740056      2.159719
  C       0.998505     -3.298993      1.338859
  C       0.623386     -4.539403      0.521105
  C       1.755587     -4.939322     -0.447129
  C       3.148656     -4.582845      0.110773
  C       3.157708     -4.674162      1.637345
  C       2.189758     -3.645692      2.256975
  C      -6.498175     -2.823801      5.315784
  C      -6.843736     -4.102482      4.558139
  C      -7.537439     -5.050742      5.553916
  C      -7.821775     -3.744420      3.404323
  C      -7.275773     -2.735257      2.392357
  C      -8.060743     -2.639925      1.075193
  C      -9.554751     -2.355555      1.266101
  C     -10.223790     -1.985195     -0.074244
  C      -9.564377     -2.701457     -1.271876
  C      -9.005663     -4.060664     -0.848046
  C      -7.871117     -3.886600      0.181011
  C      -2.999123     -5.216812      7.069520
  C      -2.235875     -6.070066      6.055108
  C      -2.691811     -7.528229      6.268714
  C      -0.714993     -5.951167      6.322510
  C      -0.140152     -4.540119      6.191424
  C       1.389801     -4.482355      6.137757
  C       2.063052     -5.108964      7.366752
  C       3.590357     -5.019409      7.289598
  C       4.064184     -3.577497      7.090643
  C       3.395643     -2.941874      5.868863
  C       1.871384     -3.035869      5.960752
  H      -4.596235     -1.089294      1.518819
  H      -3.631804     -1.490023      0.074218
  H      -3.227234     -0.058501      1.032175
  H      -1.964021     -0.169347      3.061586
  H      -1.844656     -1.650544      4.032532
  H      -3.440616     -0.886371      3.735404
  H      -1.354135     -2.555208      0.358767
  H      -0.905453     -1.019478      1.071051
  H      -0.628062     -3.572258      2.725004
  H       0.228792     -2.044695      2.916399
  H       1.318949     -2.514272      0.628517
  H      -0.309408     -4.381605     -0.042712
  H       0.421399     -5.362035      1.231753
  H       1.698339     -6.020840     -0.647150
  H       1.608235     -4.437191     -1.415990
  H       3.420845     -3.556734     -0.186880
  H       3.912479     -5.242248     -0.326781
  H       2.862053     -5.694515      1.935257
  H       4.173069     -4.524334      2.033284
  H       1.795376     -4.040875      3.207262
  H       2.727496     -2.718495      2.511167
  H      -5.935671     -3.048407      6.229938
  H      -5.921561     -2.120626      4.703871
  H      -7.434229     -2.330005      5.611527
  H      -8.370873     -4.526701      6.042060
  H      -6.830285     -5.369900      6.333535
  H      -7.951040     -5.947219      5.073973
  H      -8.739210     -3.352640      3.871079
  H      -8.129556     -4.667771      2.889654
  H      -7.250643     -1.734596      2.853737
  H      -6.228554     -2.993848      2.160052
  H      -7.639283     -1.776803      0.529007
  H      -9.701082     -1.547010      1.999961
  H     -10.040021     -3.249092      1.693161
  H     -10.174094     -0.895884     -0.226841
  H     -11.293247     -2.242737     -0.029246
  H     -10.287990     -2.814064     -2.092395
  H      -8.740009     -2.087228     -1.671195
  H      -9.820661     -4.659215     -0.407868
  H      -8.644519     -4.627706     -1.718993
  H      -6.901378     -3.803325     -0.338818
  H      -7.809740     -4.791693      0.807452
  H      -2.860538     -5.648641      8.069762
  H      -2.618799     -4.192660      7.096557
  H      -4.075980     -5.204561      6.846909
  H      -2.168643     -8.243103      5.620188
  H      -2.489460     -7.825072      7.306928
  H      -3.772902     -7.618415      6.088539
  H      -0.532819     -6.344803      7.334640
  H      -0.174730     -6.627514      5.638947
  H      -0.479464     -3.911524      7.032547
  H      -0.540574     -4.072183      5.275559
  H       1.718172     -5.058394      5.248723
  H       1.708378     -4.577452      8.269645
  H       1.757213     -6.160585      7.480225
  H       4.040632     -5.450237      8.197314
  H       3.942923     -5.634665      6.442530
  H       5.160005     -3.545540      6.988912
  H       3.814113     -2.985690      7.989203
  H       3.707504     -1.891047      5.761924
  H       3.733216     -3.465621      4.957125
  H       1.403614     -2.593088      5.066201
  H       1.520511     -2.441794      6.824898
  N      -3.604320     -3.006485      5.130590
  N      -3.425566     -2.133956      6.098095
  H      -3.772077     -2.425613      7.014623
  H      -3.649120     -1.165841      5.856608
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303371220174
  N      -3.193146     -3.292032      2.218207
  C      -3.548645     -3.944575      0.945789
  C      -3.211078     -5.412217      1.020295
  N      -3.808612     -5.957167      2.255610
  C      -5.242559     -6.267327      2.086721
  C      -5.934695     -6.089824      3.419718
  N      -5.632574     -4.757775      3.978659
  Mo     -3.715408     -4.248600      3.891334
  N      -2.554248     -5.667399      4.648859
  C      -1.922826     -6.524943      3.632605
  C      -3.023638     -7.103212      2.766842
  H      -1.338452     -7.333766      4.088630
  H      -1.213212     -5.944358      3.018214
  H      -3.677874     -7.733607      3.383882
  H      -2.637829     -7.710840      1.930728
  H      -7.014143     -6.217046      3.264456
  H      -5.625243     -6.879760      4.127698
  H      -5.665122     -5.551856      1.368397
  H      -5.377383     -7.285181      1.682602
  H      -2.991932     -3.504751      0.108014
  H      -4.619740     -3.796211      0.717115
  H      -2.121214     -5.528181      1.085614
  H      -3.567172     -5.968578      0.136338
  C      -3.593981     -1.110975      1.074916
  C      -2.643024     -1.909677      1.988311
  C      -2.482688     -1.112398      3.278251
  C      -1.249128     -2.036965      1.315788
  C      -0.175176     -2.726000      2.157856
  C       0.999658     -3.278504      1.341466
  C       0.636224     -4.524926      0.527299
  C       1.773628     -4.919303     -0.437373
  C       3.162656     -4.548812      0.121458
  C       3.169741     -4.634974      1.648310
  C       2.191584     -3.613102      2.263048
  C      -6.493958     -2.816314      5.313993
  C      -6.843790     -4.095954      4.559832
  C      -7.538749     -5.039779      5.559114
  C      -7.822459     -3.738947      3.406222
  C      -7.276591     -2.732788      2.391046
  C      -8.062910     -2.641278      1.074221
  C      -9.556742     -2.356658      1.266139
  C     -10.227858     -1.991247     -0.074584
  C      -9.571228     -2.713128     -1.270475
  C      -9.011203     -4.070187     -0.841534
  C      -7.874112     -3.890985      0.183855
  C      -2.995359     -5.202307      7.066217
  C      -2.237531     -6.064409      6.054961
  C      -2.703178     -7.519004      6.274810
  C      -0.716103     -5.954160      6.322373
  C      -0.132193     -4.546985      6.188156
  C       1.398336     -4.499550      6.137381
  C       2.064286     -5.129804      7.368625
  C       3.592422     -5.051850      7.294820
  C       4.077327     -3.613712      7.095470
  C       3.416185     -2.974209      5.871652
  C       1.890987     -3.056567      5.960473
  H      -4.610498     -1.103927      1.494490
  H      -3.641984     -1.513403      0.055009
  H      -3.244948     -0.071881      1.000979
  H      -1.997079     -0.157232      3.035482
  H      -1.861972     -1.629267      4.018446
  H      -3.466043     -0.885441      3.712996
  H      -1.357164     -2.560206      0.353564
  H      -0.919948     -1.017458      1.057105
  H      -0.626619     -3.559180      2.726821
  H       0.216119     -2.023660      2.912118
  H       1.315787     -2.493526      0.629420
  H      -0.296534     -4.376725     -0.039189
  H       0.438906     -5.346706      1.240332
  H       1.725769     -6.002109     -0.633115
  H       1.623875     -4.422498     -1.408669
  H       3.426741     -3.521429     -0.179343
  H       3.932871     -5.203178     -0.312588
  H       2.882799     -5.657031      1.949094
  H       4.183099     -4.474877      2.045547
  H       1.798594     -4.009441      3.213416
  H       2.720780     -2.680639      2.516245
  H      -5.927021     -3.039985      6.225915
  H      -5.920036     -2.114011      4.698280
  H      -7.428480     -2.321976      5.613693
  H      -8.369323     -4.512118      6.048236
  H      -6.830910     -5.359946      6.337851
  H      -7.956531     -5.935661      5.081573
  H      -8.739182     -3.345194      3.872862
  H      -8.131849     -4.663330      2.893952
  H      -7.250285     -1.730813      2.849581
  H      -6.229638     -2.992732      2.158234
  H      -7.642224     -1.779757      0.524907
  H      -9.702195     -1.545367      1.997258
  H     -10.041303     -3.248632      1.697358
  H     -10.177488     -0.902572     -0.231832
  H     -11.297541     -2.247508     -0.026501
  H     -10.296987     -2.829886     -2.088587
  H      -8.748041     -2.100663     -1.675079
  H      -9.825036     -4.666840     -0.396526
  H      -8.652107     -4.641403     -1.710692
  H      -6.905769     -3.808274     -0.338759
  H      -7.809810     -4.793900      0.813329
  H      -2.861880     -5.633393      8.067633
  H      -2.605191     -4.181419      7.092814
  H      -4.071715     -5.180661      6.842258
  H      -2.187443     -8.240264      5.627326
  H      -2.499927     -7.813922      7.313550
  H      -3.785557     -7.601718      6.098291
  H      -0.536582     -6.346095      7.335608
  H      -0.179911     -6.635971      5.641130
  H      -0.468627     -3.914540      7.027497
  H      -0.527916     -4.078281      5.270445
  H       1.724481     -5.078803      5.249702
  H       1.711689     -4.594897      8.270401
  H       1.750232     -6.179051      7.482520
  H       4.037515     -5.484934      8.204113
  H       3.942422     -5.670850      6.449348
  H       5.173650     -3.590065      6.996052
  H       3.829905     -3.019106      7.992997
  H       3.736354     -1.925865      5.764509
  H       3.751822     -3.501216      4.960993
  H       1.428282     -2.610758      5.064822
  H       1.542861     -2.459186      6.823487
  N      -3.603463     -3.002274      5.122007
  N      -3.417522     -2.129109      6.087086
  H      -3.746867     -2.423574      7.009470
  H      -3.645355     -1.161174      5.847764
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303381064080
  N      -3.195390     -3.295011      2.216678
  C      -3.547980     -3.950700      0.944478
  C      -3.208677     -5.417684      1.021045
  N      -3.806710     -5.962532      2.256169
  C      -5.241049     -6.272847      2.086992
  C      -5.934201     -6.094723      3.419640
  N      -5.632817     -4.762128      3.978611
  Mo     -3.716028     -4.251441      3.890514
  N      -2.553039     -5.670372      4.645828
  C      -1.920376     -6.529065      3.631602
  C      -3.021560     -7.108507      2.766898
  H      -1.336705     -7.336833      4.090254
  H      -1.210282     -5.949638      3.016602
  H      -3.674878     -7.738470      3.385378
  H      -2.636976     -7.716200      1.930350
  H      -7.013462     -6.222103      3.263231
  H      -5.625178     -6.884496      4.127926
  H      -5.663607     -5.558148      1.368008
  H      -5.375783     -7.291072      1.683800
  H      -2.990086     -3.511745      0.106921
  H      -4.618726     -3.804070      0.713585
  H      -2.118759     -5.532454      1.087538
  H      -3.563375     -5.974800      0.136994
  C      -3.598126     -1.115933      1.067627
  C      -2.647659     -1.912040      1.983969
  C      -2.489294     -1.111025      3.271490
  C      -1.253050     -2.041004      1.313601
  C      -0.180737     -2.728392      2.159350
  C       0.995929     -3.282792      1.346981
  C       0.633508     -4.529514      0.532660
  C       1.773698     -4.926402     -0.427842
  C       3.161284     -4.555739      0.134549
  C       3.164040     -4.640860      1.661586
  C       2.184237     -3.618415      2.272854
  C      -6.492505     -2.823144      5.318033
  C      -6.843506     -4.100600      4.560745
  C      -7.540695     -5.045592      5.557592
  C      -7.820968     -3.739774      3.407249
  C      -7.274310     -2.729368      2.396602
  C      -8.058948     -2.633404      1.078909
  C      -9.553492     -2.351979      1.270070
  C     -10.223518     -1.982286     -0.070029
  C      -9.565616     -2.700016     -1.267859
  C      -9.003433     -4.057379     -0.842596
  C      -7.866843     -3.879080      0.183478
  C      -2.995688     -5.207412      7.064692
  C      -2.235830     -6.066051      6.052080
  C      -2.697897     -7.522191      6.270922
  C      -0.714505     -5.952823      6.318132
  C      -0.134722     -4.543685      6.185890
  C       1.395636     -4.492285      6.132725
  C       2.065409     -5.124445      7.360984
  C       3.593304     -5.043269      7.284292
  C       4.075029     -3.603731      7.087045
  C       3.409370     -2.962219      5.866644
  C       1.884547     -3.047705      5.959255
  H      -4.614157     -1.104292      1.488385
  H      -3.648460     -1.522822      0.049689
  H      -3.246574     -0.078062      0.988407
  H      -2.007803     -0.154503      3.026019
  H      -1.865353     -1.623938      4.011871
  H      -3.473032     -0.887204      3.706943
  H      -1.360358     -2.567115      0.352822
  H      -0.923137     -1.022388      1.052304
  H      -0.633036     -3.560620      2.729094
  H       0.209020     -2.024233      2.912830
  H       1.315427     -2.498665      0.635502
  H      -0.297102     -4.380421     -0.037079
  H       0.432477     -5.350341      1.245737
  H       1.725931     -6.009601     -0.621468
  H       1.627348     -4.431505     -1.400637
  H       3.426711     -3.528704     -0.166290
  H       3.932437     -5.210827     -0.296808
  H       2.876049     -5.662731      1.962078
  H       4.176302     -4.480558      2.061578
  H       1.787366     -4.014584      3.221716
  H       2.713048     -2.686342      2.528439
  H      -5.921540     -3.049108      6.227022
  H      -5.921588     -2.118062      4.702469
  H      -7.426531     -2.331090      5.622862
  H      -8.370797     -4.517571      6.047084
  H      -6.834176     -5.368769      6.336393
  H      -7.959621     -5.939745      5.077758
  H      -8.738708     -3.348401      3.873951
  H      -8.128736     -4.662696      2.891233
  H      -7.249333     -1.729152      2.859029
  H      -6.226731     -2.987739      2.164107
  H      -7.639011     -1.768775      0.533936
  H      -9.701031     -1.543636      2.004076
  H     -10.037225     -3.246321      1.697291
  H     -10.173157     -0.893061     -0.223526
  H     -11.293215     -2.238855     -0.023676
  H     -10.291254     -2.815950     -2.086215
  H      -8.743393     -2.085216     -1.670905
  H      -9.816381     -4.656707     -0.399542
  H      -8.643110     -4.625411     -1.713372
  H      -6.898837     -3.791427     -0.338974
  H      -7.799875     -4.784405      0.809272
  H      -2.861186     -5.640194      8.065352
  H      -2.607895     -4.185637      7.093997
  H      -4.072137     -5.187471      6.841234
  H      -2.181388     -8.241834      5.622255
  H      -2.492944     -7.817611      7.309294
  H      -3.780312     -7.607189      6.095463
  H      -0.532081     -6.346697      7.330044
  H      -0.178016     -6.631337      5.633928
  H      -0.471780     -3.914327      7.027187
  H      -0.532948     -4.074166      5.269505
  H       1.721602     -5.068060      5.242760
  H       1.713648     -4.592725      8.264986
  H       1.753780     -6.174685      7.472664
  H       4.040997     -5.477209      8.191933
  H       3.942908     -5.659885      6.436920
  H       5.171049     -3.578027      6.984452
  H       3.829235     -3.011767      7.986777
  H       3.727285     -1.912989      5.761581
  H       3.743496     -3.486208      4.953608
  H       1.418701     -2.600064      5.066093
  H       1.537585     -2.453748      6.825096
  N      -3.605394     -3.002748      5.118685
  N      -3.416072     -2.128150      6.081389
  H      -3.723873     -2.423491      7.011190
  H      -3.641738     -1.158812      5.844941
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303389924996
  N      -3.196976     -3.298461      2.218586
  C      -3.548792     -3.956244      0.947167
  C      -3.209495     -5.423096      1.025882
  N      -3.808924     -5.966425      2.261088
  C      -5.243320     -6.275993      2.090671
  C      -5.937789     -6.096344      3.422384
  N      -5.635831     -4.763758      3.980930
  Mo     -3.718702     -4.253447      3.893088
  N      -2.555857     -5.671915      4.650327
  C      -1.923950     -6.533455      3.638046
  C      -3.025343     -7.112696      2.773487
  H      -1.342109     -7.341466      4.098516
  H      -1.212559     -5.956006      3.022743
  H      -3.679560     -7.740965      3.392748
  H      -2.641350     -7.721812      1.937711
  H      -7.017012     -6.222438      3.264686
  H      -5.630459     -6.885889      4.131634
  H      -5.664692     -5.561740      1.370562
  H      -5.378091     -7.294587      1.688465
  H      -2.990436     -3.518347      0.109366
  H      -4.619441     -3.810033      0.715659
  H      -2.119699     -5.538043      1.093550
  H      -3.563611     -5.981097      0.142145
  C      -3.602501     -1.121481      1.067577
  C      -2.650702     -1.915333      1.984467
  C      -2.493675     -1.113240      3.271460
  C      -1.255863     -2.041989      1.313707
  C      -0.181177     -2.726248      2.159031
  C       0.996974     -3.276304      1.345743
  C       0.638789     -4.524540      0.531834
  C       1.779643     -4.916939     -0.429794
  C       3.166106     -4.538685      0.130205
  C       3.171977     -4.623992      1.657272
  C       2.187538     -3.607076      2.270362
  C      -6.496382     -2.824307      5.320037
  C      -6.846537     -4.101212      4.561522
  C      -7.546585     -5.046008      5.556632
  C      -7.821920     -3.739271      3.406417
  C      -7.272854     -2.729005      2.396918
  C      -8.055377     -2.632283      1.077981
  C      -9.549919     -2.349351      1.267007
  C     -10.217789     -1.979431     -0.074089
  C      -9.559612     -2.698958     -1.270711
  C      -8.999213     -4.056529     -0.843694
  C      -7.863205     -3.878281      0.183001
  C      -2.995425     -5.200634      7.068229
  C      -2.238684     -6.064178      6.057560
  C      -2.703976     -7.518626      6.281264
  C      -0.716665     -5.953847      6.322074
  C      -0.133729     -4.546471      6.184754
  C       1.396714     -4.498652      6.130789
  C       2.066021     -5.127838      7.360838
  C       3.594059     -5.050452      7.282562
  C       4.079034     -3.612806      7.079352
  C       3.413543     -2.974211      5.857324
  C       1.888620     -3.055764      5.951938
  H      -4.618216     -1.109669      1.489123
  H      -3.653508     -1.530141      0.050380
  H      -3.251512     -0.083576      0.986314
  H      -2.013890     -0.155934      3.025762
  H      -1.868740     -1.625076      4.011704
  H      -3.477832     -0.891234      3.706972
  H      -1.362366     -2.568980      0.353317
  H      -0.928534     -1.022733      1.051709
  H      -0.630752     -3.560119      2.728479
  H       0.206691     -2.021028      2.912484
  H       1.312630     -2.491008      0.633853
  H      -0.293014     -4.379120     -0.036906
  H       0.441969     -5.346109      1.245204
  H       1.737159     -6.000638     -0.621845
  H       1.629544     -4.424076     -1.403045
  H       3.425351     -3.510181     -0.170962
  H       3.940050     -5.189536     -0.302559
  H       2.890217     -5.647500      1.958101
  H       4.184032     -4.458015      2.055453
  H       1.793167     -4.006155      3.219006
  H       2.711891     -2.672691      2.526689
  H      -5.926375     -3.050928      6.229468
  H      -5.924762     -2.118888      4.705561
  H      -7.430725     -2.332427      5.624090
  H      -8.376739     -4.517092      6.045041
  H      -6.841975     -5.370923      6.336432
  H      -7.966044     -5.939171      5.075415
  H      -8.740174     -3.347443      3.871701
  H      -8.129214     -4.661975      2.889724
  H      -7.247951     -1.728887      2.859530
  H      -6.225067     -2.988099      2.166112
  H      -7.633804     -1.768031      0.533669
  H      -9.697609     -1.540586      2.000512
  H     -10.035111     -3.243083      1.693829
  H     -10.165517     -0.890382     -0.228171
  H     -11.287927     -2.234331     -0.028792
  H     -10.284675     -2.814922     -2.089565
  H      -8.736325     -2.085467     -1.673577
  H      -9.813111     -4.654574     -0.400666
  H      -8.638762     -4.625703     -1.713668
  H      -6.894979     -3.791108     -0.339092
  H      -7.796844     -4.783411      0.809136
  H      -2.860799     -5.630557      8.070085
  H      -2.605577     -4.179553      7.093516
  H      -4.072150     -5.178991      6.846157
  H      -2.189429     -8.241456      5.634605
  H      -2.499127     -7.811189      7.320466
  H      -3.786672     -7.601857      6.106689
  H      -0.534107     -6.344875      7.335029
  H      -0.182655     -6.635726      5.639318
  H      -0.469296     -3.913528      7.023913
  H      -0.531125     -4.079356      5.266796
  H       1.720956     -5.078247      5.242710
  H       1.716244     -4.591960      8.263149
  H       1.752174     -6.176963      7.476599
  H       4.041451     -5.481890      8.191538
  H       3.941479     -5.671126      6.437264
  H       5.174989     -3.590193      6.975367
  H       3.835677     -3.016890      7.977133
  H       3.733837     -1.926144      5.748037
  H       3.745240     -3.502484      4.945858
  H       1.422914     -2.610075      5.057734
  H       1.543980     -2.458167      6.816184
  N      -3.608117     -3.003543      5.119768
  N      -3.416537     -2.127032      6.080960
  H      -3.734569     -2.420609      7.008033
  H      -3.652279     -1.160622      5.841623
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303394066117
  N      -3.197174     -3.299150      2.215677
  C      -3.549587     -3.958227      0.945173
  C      -3.209870     -5.424870      1.024780
  N      -3.808725     -5.967436      2.260605
  C      -5.243266     -6.276454      2.090937
  C      -5.937267     -6.095785      3.422708
  N      -5.634144     -4.763433      3.980955
  Mo     -3.716841     -4.253910      3.891165
  N      -2.553944     -5.672643      4.648539
  C      -1.923316     -6.535530      3.636554
  C      -3.025597     -7.114134      2.772712
  H      -1.342135     -7.343943      4.097088
  H      -1.211753     -5.958820      3.020790
  H      -3.679923     -7.741585      3.392657
  H      -2.642721     -7.723741      1.936766
  H      -7.016647     -6.220736      3.265215
  H      -5.630538     -6.885294      4.132218
  H      -5.664457     -5.562506      1.370417
  H      -5.378397     -7.295319      1.689543
  H      -2.991975     -3.520740      0.106686
  H      -4.620493     -3.812417      0.714534
  H      -2.120064     -5.539732      1.092212
  H      -3.564336     -5.983509      0.141566
  C      -3.603742     -1.124221      1.061989
  C      -2.651758     -1.916217      1.980231
  C      -2.495976     -1.113037      3.266716
  C      -1.256441     -2.041975      1.310128
  C      -0.182290     -2.726936      2.155400
  C       0.996521     -3.275546      1.342092
  C       0.639139     -4.522572      0.525992
  C       1.780637     -4.912979     -0.435695
  C       3.166504     -4.533709      0.124976
  C       3.172516     -4.621842      1.651895
  C       2.186571     -3.607486      2.266844
  C      -6.492764     -2.823072      5.319996
  C      -6.843958     -4.099901      4.561845
  C      -7.544377     -5.043956      5.557455
  C      -7.819911     -3.737771      3.407104
  C      -7.270763     -2.728838      2.396373
  C      -8.054620     -2.632374      1.078206
  C      -9.548455     -2.346681      1.268784
  C     -10.217444     -1.977508     -0.071899
  C      -9.562999     -2.700944     -1.268228
  C      -9.004165     -4.058552     -0.839258
  C      -7.865691     -3.879827      0.184533
  C      -2.995216     -5.200314      7.065936
  C      -2.238481     -6.064925      6.056272
  C      -2.704690     -7.518922      6.280743
  C      -0.716495     -5.955107      6.322381
  C      -0.133453     -4.547589      6.187078
  C       1.397060     -4.499184      6.135983
  C       2.064471     -5.130057      7.366182
  C       3.592613     -5.051765      7.290797
  C       4.077295     -3.613564      7.090817
  C       3.413654     -2.973297      5.868690
  C       1.888614     -3.055776      5.960496
  H      -4.619414     -1.111733      1.483560
  H      -3.654881     -1.534887      0.045564
  H      -3.252840     -0.086458      0.978670
  H      -2.016180     -0.155759      3.020950
  H      -1.871642     -1.624575      4.007587
  H      -3.480570     -0.891195      3.701216
  H      -1.362052     -2.568224      0.349266
  H      -0.929335     -1.022352      1.049368
  H      -0.632395     -3.561777      2.723039
  H       0.204887     -2.022734      2.910121
  H       1.312315     -2.489103      0.631547
  H      -0.292501     -4.376440     -0.042821
  H       0.442457     -5.345358      1.237976
  H       1.739466     -5.996578     -0.628527
  H       1.630304     -4.419544     -1.408605
  H       3.424155     -3.504264     -0.174264
  H       3.941379     -5.182607     -0.309015
  H       2.892253     -5.646304      1.950787
  H       4.184320     -4.455110      2.050346
  H       1.791587     -4.009397      3.214039
  H       2.709753     -2.673262      2.526137
  H      -5.922199     -3.049718      6.229073
  H      -5.921214     -2.118052      4.705098
  H      -7.426702     -2.330644      5.624339
  H      -8.373480     -4.513974      6.046468
  H      -6.839710     -5.369899      6.336733
  H      -7.965377     -5.936506      5.076507
  H      -8.737475     -3.344877      3.872826
  H      -8.128192     -4.660639      2.891350
  H      -7.244427     -1.728362      2.858103
  H      -6.223484     -2.989138      2.164825
  H      -7.632280     -1.769408      0.532436
  H      -9.693849     -1.536673      2.001352
  H     -10.034586     -3.239021      1.697402
  H     -10.162561     -0.888888     -0.228017
  H     -11.288150     -2.229542     -0.024421
  H     -10.289886     -2.817430     -2.085371
  H      -8.739353     -2.089935     -1.674092
  H      -9.818150     -4.654114     -0.393095
  H      -8.646524     -4.630342     -1.708656
  H      -6.898726     -3.794353     -0.340114
  H      -7.798638     -4.784049      0.811856
  H      -2.861746     -5.629736      8.068115
  H      -2.604472     -4.179582      7.090527
  H      -4.071792     -5.177651      6.843304
  H      -2.189661     -8.242423      5.635286
  H      -2.501088     -7.810675      7.320387
  H      -3.787199     -7.601995      6.105124
  H      -0.535029     -6.346881      7.335232
  H      -0.181980     -6.636488      5.639559
  H      -0.470745     -3.915462      7.026198
  H      -0.529367     -4.079795      5.268921
  H       1.723194     -5.077184      5.247532
  H       1.712783     -4.595789      8.268689
  H       1.750980     -6.179511      7.479704
  H       4.038508     -5.484458      8.199886
  H       3.941843     -5.670860      6.445106
  H       5.173400     -3.590266      6.988809
  H       3.832003     -3.019264      7.989123
  H       3.733637     -1.924919      5.761624
  H       3.747102     -3.499982      4.956968
  H       1.424320     -2.608708      5.066275
  H       1.542166     -2.459963      6.825237
  N      -3.604817     -3.004147      5.117812
  N      -3.410690     -2.126885      6.078035
  H      -3.728586     -2.419262      7.005525
  H      -3.647215     -1.160709      5.838590
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303398295498
  N      -3.198469     -3.298227      2.216595
  C      -3.549275     -3.957988      0.945909
  C      -3.208300     -5.424291      1.026070
  N      -3.807919     -5.967306      2.261306
  C      -5.242168     -6.277023      2.090367
  C      -5.937462     -6.096987      3.421557
  N      -5.634986     -4.764824      3.980721
  Mo     -3.718043     -4.253658      3.891817
  N      -2.554090     -5.671577      4.649556
  C      -1.923041     -6.534958      3.638078
  C      -3.024843     -7.113794      2.773811
  H      -1.342063     -7.343138      4.099212
  H      -1.211256     -5.958360      3.022429
  H      -3.679386     -7.741261      3.393525
  H      -2.641486     -7.723383      1.938068
  H      -7.016661     -6.221997      3.263005
  H      -5.631317     -6.886803      4.130960
  H      -5.663124     -5.563471      1.369346
  H      -5.376292     -7.296029      1.688952
  H      -2.991482     -3.520108      0.107754
  H      -4.620150     -3.813289      0.714414
  H      -2.118477     -5.538234      1.094722
  H      -3.561364     -5.983307      0.142512
  C      -3.604191     -1.123112      1.062726
  C      -2.652733     -1.915581      1.981143
  C      -2.496718     -1.112544      3.267675
  C      -1.257324     -2.041843      1.311358
  C      -0.183910     -2.727580      2.156879
  C       0.994608     -3.276732      1.343522
  C       0.636695     -4.524186      0.528252
  C       1.777675     -4.915179     -0.433873
  C       3.163631     -4.533755      0.124960
  C       3.171632     -4.621483      1.651886
  C       2.184921     -3.608406      2.267834
  C      -6.494932     -2.826203      5.321440
  C      -6.845276     -4.102302      4.561663
  C      -7.546278     -5.047473      5.555845
  C      -7.820542     -3.739153      3.406544
  C      -7.270958     -2.728815      2.397503
  C      -8.053348     -2.631448      1.078515
  C      -9.547486     -2.346373      1.267749
  C     -10.215110     -1.976319     -0.073316
  C      -9.559920     -2.699568     -1.269388
  C      -9.001033     -4.057109     -0.840247
  C      -7.863041     -3.878078      0.183940
  C      -2.994225     -5.198227      7.067184
  C      -2.238264     -6.063448      6.057450
  C      -2.704840     -7.517175      6.282522
  C      -0.716045     -5.953958      6.322890
  C      -0.132419     -4.546823      6.186149
  C       1.398096     -4.499072      6.134354
  C       2.065881     -5.129977      7.364340
  C       3.594005     -5.052250      7.288141
  C       4.079184     -3.614296      7.087596
  C       3.415091     -2.973963      5.865775
  C       1.890087     -3.055854      5.958503
  H      -4.619794     -1.109699      1.484413
  H      -3.655843     -1.534248      0.046528
  H      -3.252566     -0.085651      0.978752
  H      -2.015389     -0.155962      3.022247
  H      -1.873650     -1.625219      4.008777
  H      -3.481330     -0.889418      3.701479
  H      -1.362848     -2.567959      0.350399
  H      -0.929781     -1.022309      1.050879
  H      -0.634718     -3.562265      2.724213
  H       0.203535     -2.023793      2.911852
  H       1.310201     -2.490653      0.632499
  H      -0.295312     -4.378261     -0.039998
  H       0.440462     -5.346542      1.240851
  H       1.737358     -5.999134     -0.624862
  H       1.626101     -4.423544     -1.407501
  H       3.419339     -3.504014     -0.174880
  H       3.938911     -5.181605     -0.309867
  H       2.893367     -5.646290      1.951430
  H       4.183690     -4.453170      2.049026
  H       1.790259     -4.011391      3.214710
  H       2.707271     -2.673932      2.527882
  H      -5.924279     -3.053481      6.230334
  H      -5.923881     -2.119900      4.707556
  H      -7.429295     -2.334835      5.626169
  H      -8.375483     -4.517982      6.045184
  H      -6.841994     -5.374494      6.335017
  H      -7.967272     -5.939351      5.073680
  H      -8.738715     -3.347333      3.871965
  H      -8.127835     -4.661595      2.889464
  H      -7.245813     -1.728793      2.860282
  H      -6.223229     -2.988058      2.166929
  H      -7.630671     -1.767831      0.534051
  H      -9.693956     -1.537022      2.000828
  H     -10.033831     -3.239188      1.695106
  H     -10.159532     -0.887657     -0.228889
  H     -11.285993     -2.227770     -0.026846
  H     -10.286325     -2.816065     -2.086953
  H      -8.736140     -2.088423     -1.674761
  H      -9.815061     -4.652880     -0.394451
  H      -8.642873     -4.628811     -1.709482
  H      -6.896104     -3.791334     -0.340527
  H      -7.795173     -4.782670      0.810615
  H      -2.859223     -5.626500      8.069645
  H      -2.603247     -4.177572      7.089768
  H      -4.071102     -5.175933      6.846186
  H      -2.189595     -8.240978      5.637568
  H      -2.501839     -7.808682      7.322338
  H      -3.787261     -7.600091      6.106344
  H      -0.534258     -6.345139      7.335904
  H      -0.182192     -6.636053      5.640299
  H      -0.469004     -3.913822      7.024902
  H      -0.528601     -4.079450      5.267893
  H       1.723677     -5.077285      5.245859
  H       1.714830     -4.595451      8.266932
  H       1.752074     -6.179290      7.478261
  H       4.040184     -5.484902      8.197106
  H       3.942578     -5.671708      6.442452
  H       5.175234     -3.591494      6.984936
  H       3.834732     -3.019719      7.985941
  H       3.735453     -1.925739      5.758328
  H       3.747771     -3.500891      4.953930
  H       1.425372     -2.608597      5.064580
  H       1.544340     -2.459944      6.823447
  N      -3.608190     -3.004057      5.118843
  N      -3.414350     -2.125118      6.077780
  H      -3.733694     -2.415685      7.005379
  H      -3.650372     -1.159255      5.836541
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303401873366
  N      -3.200964     -3.302524      2.215155
  C      -3.549199     -3.965200      0.945193
  C      -3.206338     -5.430826      1.028357
  N      -3.807104     -5.972587      2.263545
  C      -5.241137     -6.282826      2.091363
  C      -5.938106     -6.101615      3.421503
  N      -5.635942     -4.769294      3.980477
  Mo     -3.719431     -4.256762      3.891507
  N      -2.554377     -5.672856      4.651504
  C      -1.923184     -6.538772      3.642120
  C      -3.024637     -7.118523      2.778067
  H      -1.342915     -7.346205      4.105382
  H      -1.210714     -5.963653      3.025841
  H      -3.679796     -7.744860      3.398285
  H      -2.641005     -7.729393      1.943385
  H      -7.017145     -6.226409      3.261666
  H      -5.633146     -6.891186      4.131697
  H      -5.661538     -5.570704      1.368654
  H      -5.374323     -7.302515      1.691323
  H      -2.991072     -3.527982      0.106938
  H      -4.620004     -3.822474      0.712103
  H      -2.116475     -5.543239      1.098967
  H      -3.557268     -5.991750      0.145139
  C      -3.608281     -1.129657      1.057869
  C      -2.656390     -1.920042      1.977636
  C      -2.501267     -1.115110      3.263118
  C      -1.260509     -2.045830      1.308607
  C      -0.187015     -2.729841      2.155415
  C       0.992761     -3.277766      1.343035
  C       0.637352     -4.527058      0.529411
  C       1.779077     -4.916935     -0.432413
  C       3.163874     -4.528201      0.123980
  C       3.174540     -4.614637      1.650943
  C       2.183522     -3.606087      2.267679
  C      -6.496908     -2.833720      5.325628
  C      -6.846471     -4.107776      4.562109
  C      -7.548692     -5.055442      5.553041
  C      -7.820570     -3.741216      3.406992
  C      -7.270305     -2.726592      2.402684
  C      -8.050149     -2.624851      1.082499
  C      -9.544909     -2.341827      1.269939
  C     -10.210121     -1.967114     -0.070924
  C      -9.553666     -2.687285     -1.268246
  C      -8.994088     -4.045427     -0.841887
  C      -7.856843     -3.867689      0.183189
  C      -2.995124     -5.195613      7.068535
  C      -2.239126     -6.062589      6.060289
  C      -2.705708     -7.515910      6.287397
  C      -0.716933     -5.952409      6.325769
  C      -0.133395     -4.545591      6.185897
  C       1.397101     -4.497811      6.133190
  C       2.065698     -5.127627      7.363284
  C       3.593758     -5.049860      7.285972
  C       4.078836     -3.612116      7.083747
  C       3.413818     -2.972830      5.861907
  C       1.888912     -3.054683      5.955944
  H      -4.623668     -1.115319      1.480076
  H      -3.660580     -1.543317      0.042754
  H      -3.256815     -0.092379      0.970974
  H      -2.020891     -0.158372      3.016542
  H      -1.877623     -1.626611      4.004528
  H      -3.486155     -0.892625      3.696744
  H      -1.364938     -2.572958      0.348071
  H      -0.933857     -1.026228      1.047351
  H      -0.637172     -3.564834      2.722783
  H       0.198955     -2.025323      2.910462
  H       1.306924     -2.491935      0.631115
  H      -0.295171     -4.383850     -0.038664
  H       0.443123     -5.348828      1.243244
  H       1.742944     -6.001708     -0.619590
  H       1.624907     -4.429389     -1.407694
  H       3.413901     -3.497450     -0.177162
  H       3.941708     -5.172503     -0.311564
  H       2.902078     -5.640631      1.951738
  H       4.186343     -4.440955      2.046438
  H       1.789542     -4.011942      3.213648
  H       2.701946     -2.669947      2.529570
  H      -5.925816     -3.062985      6.233738
  H      -5.926795     -2.124857      4.713829
  H      -7.431752     -2.344145      5.631826
  H      -8.377529     -4.526774      6.043850
  H      -6.844973     -5.385641      6.331389
  H      -7.970439     -5.945362      5.067889
  H      -8.739761     -3.351987      3.872560
  H      -8.126259     -4.662061      2.886132
  H      -7.247221     -1.728265      2.869252
  H      -6.221782     -2.983508      2.173238
  H      -7.627169     -1.758629      0.542425
  H      -9.693611     -1.535494      2.005893
  H     -10.031370     -3.236686      1.692860
  H     -10.153177     -0.878022     -0.223008
  H     -11.281353     -2.217488     -0.026798
  H     -10.279370     -2.802310     -2.086640
  H      -8.729976     -2.074710     -1.671639
  H      -9.807881     -4.642891     -0.397923
  H      -8.634947     -4.614942     -1.712155
  H      -6.890128     -3.776633     -0.340963
  H      -7.786726     -4.774524      0.806348
  H      -2.858694     -5.621211      8.071939
  H      -2.604194     -4.174841      7.087796
  H      -4.072236     -5.174335      6.848838
  H      -2.189607     -8.240678      5.644150
  H      -2.503864     -7.805897      7.327845
  H      -3.787920     -7.599220      6.110107
  H      -0.535186     -6.341541      7.339572
  H      -0.183067     -6.635940      5.644632
  H      -0.469420     -3.910832      7.023586
  H      -0.530223     -4.079840      5.267073
  H       1.722319     -5.076684      5.244997
  H       1.715169     -4.592402      8.265671
  H       1.752028     -6.176854      7.478402
  H       4.040561     -5.481656      8.195042
  H       3.941813     -5.670167      6.440692
  H       5.174811     -3.589452      6.980262
  H       3.835164     -3.016710      7.981756
  H       3.734151     -1.924719      5.753237
  H       3.745762     -3.500500      4.950218
  H       1.423356     -2.607926      5.062209
  H       1.543829     -2.458313      6.820842
  N      -3.611091     -3.005672      5.117274
  N      -3.415541     -2.122944      6.072134
  H      -3.728306     -2.411241      7.002571
  H      -3.653656     -1.158280      5.828738
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303402822203
  N      -3.201079     -3.302005      2.215239
  C      -3.549205     -3.964535      0.945170
  C      -3.206322     -5.430166      1.028279
  N      -3.807406     -5.971900      2.263286
  C      -5.241348     -6.282208      2.090628
  C      -5.939009     -6.100866      3.420385
  N      -5.636455     -4.768891      3.979926
  Mo     -3.719961     -4.256316      3.891467
  N      -2.554894     -5.672357      4.651537
  C      -1.923788     -6.538556      3.642256
  C      -3.025196     -7.117926      2.778004
  H      -1.343962     -7.346168      4.105741
  H      -1.210761     -5.963863      3.026209
  H      -3.680692     -7.744137      3.398002
  H      -2.641443     -7.728933      1.943474
  H      -7.017995     -6.225066      3.259709
  H      -5.635005     -6.890789      4.130609
  H      -5.661405     -5.570224      1.367588
  H      -5.374380     -7.301905      1.690564
  H      -2.991083     -3.527265      0.106945
  H      -4.619986     -3.821758      0.712037
  H      -2.116455     -5.542438      1.099238
  H      -3.556853     -5.991126      0.144935
  C      -3.607614     -1.129067      1.057743
  C      -2.656098     -1.919646      1.977660
  C      -2.501039     -1.114637      3.263080
  C      -1.260064     -2.045675      1.309042
  C      -0.186749     -2.729442      2.156292
  C       0.993223     -3.277316      1.344178
  C       0.638103     -4.527090      0.531179
  C       1.779876     -4.917245     -0.430552
  C       3.164420     -4.525999      0.124578
  C       3.176433     -4.611911      1.651544
  C       2.184042     -3.604958      2.268875
  C      -6.496845     -2.833269      5.325404
  C      -6.846877     -4.107246      4.561933
  C      -7.549072     -5.054716      5.553074
  C      -7.821023     -3.740640      3.406965
  C      -7.270895     -2.726247      2.402352
  C      -8.050701     -2.625294      1.082093
  C      -9.545444     -2.342167      1.269418
  C     -10.210747     -1.968459     -0.071649
  C      -9.555088     -2.690387     -1.268372
  C      -8.995331     -4.047939     -0.840434
  C      -7.857404     -3.868734      0.183588
  C      -2.994633     -5.194673      7.068782
  C      -2.239395     -6.062101      6.060337
  C      -2.706634     -7.515131      6.287654
  C      -0.717210     -5.952489      6.325381
  C      -0.133219     -4.545856      6.185891
  C       1.397268     -4.498650      6.132519
  C       2.066146     -5.129810      7.361771
  C       3.594192     -5.052447      7.283941
  C       4.079645     -3.614683      7.082861
  C       3.414412     -2.974113      5.861805
  C       1.889535     -3.055554      5.956319
  H      -4.622998     -1.114358      1.479925
  H      -3.659997     -1.542850      0.042684
  H      -3.255820     -0.091910      0.970715
  H      -2.020002     -0.158218      3.016532
  H      -1.878086     -1.626306      4.004948
  H      -3.486013     -0.891412      3.696113
  H      -1.364090     -2.572971      0.348555
  H      -0.933256     -1.026155      1.047636
  H      -0.636901     -3.564383      2.723740
  H       0.198923     -2.024802      2.911377
  H       1.307167     -2.491706      0.631930
  H      -0.294544     -4.384405     -0.036847
  H       0.444098     -5.348485      1.245514
  H       1.744967     -6.002379     -0.615880
  H       1.624740     -4.431568     -1.406613
  H       3.412391     -3.494940     -0.177210
  H       3.942990     -5.169128     -0.311389
  H       2.906046     -5.638310      1.952828
  H       4.188252     -4.436375      2.046180
  H       1.790190     -4.012203      3.214306
  H       2.701220     -2.668442      2.531852
  H      -5.925128     -3.062620      6.233144
  H      -5.927297     -2.124202      4.713347
  H      -7.431535     -2.343837      5.632333
  H      -8.377320     -4.525666      6.044468
  H      -6.845112     -5.385490      6.330969
  H      -7.971638     -5.944261      5.067998
  H      -8.740167     -3.351334      3.872567
  H      -8.126801     -4.661605      2.886272
  H      -7.248129     -1.727677      2.868428
  H      -6.222270     -2.982989      2.173087
  H      -7.627703     -1.759391      0.541506
  H      -9.694130     -1.535310      2.004796
  H     -10.031876     -3.236725      1.693018
  H     -10.153041     -0.879568     -0.224909
  H     -11.282155     -2.217974     -0.026955
  H     -10.281278     -2.806497     -2.086181
  H      -8.731596     -2.078436     -1.673129
  H      -9.808845     -4.644730     -0.395057
  H      -8.636792     -4.618762     -1.710099
  H      -6.891216     -3.777502     -0.341493
  H      -7.786171     -4.775041      0.807423
  H      -2.857087     -5.619732      8.072277
  H      -2.603911     -4.173812      7.087172
  H      -4.071937     -5.173885      6.850008
  H      -2.190625     -8.240371      5.644877
  H      -2.505358     -7.804937      7.328272
  H      -3.788810     -7.597953      6.109921
  H      -0.535427     -6.342027      7.339030
  H      -0.183600     -6.635990      5.643983
  H      -0.468530     -3.911255      7.023991
  H      -0.530292     -4.079502      5.267462
  H       1.721886     -5.076865      5.243667
  H       1.716092     -4.595365      8.264806
  H       1.752214     -6.179054      7.476021
  H       4.041229     -5.485247      8.192424
  H       3.941731     -5.672083      6.437954
  H       5.175597     -3.592271      6.979052
  H       3.836469     -3.020007      7.981487
  H       3.735020     -1.926000      5.753955
  H       3.745938     -3.501030      4.949525
  H       1.423773     -2.607837      5.063180
  H       1.544990     -2.459822      6.821878
  N      -3.611906     -3.005698      5.117587
  N      -3.415189     -2.122043      6.071579
  H      -3.730447     -2.408283      7.001882
  H      -3.651046     -1.157196      5.826563
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303403898174
  N      -3.201409     -3.302414      2.214179
  C      -3.549137     -3.965192      0.944228
  C      -3.205859     -5.430712      1.027799
  N      -3.807015     -5.972025      2.262944
  C      -5.240827     -6.282823      2.090083
  C      -5.938980     -6.101030      3.419491
  N      -5.636473     -4.769122      3.978960
  Mo     -3.720134     -4.256380      3.890725
  N      -2.554938     -5.671716      4.651728
  C      -1.923583     -6.537989      3.642734
  C      -3.024654     -7.117707      2.778373
  H      -1.343747     -7.345488      4.106448
  H      -1.210256     -5.963452      3.026874
  H      -3.680286     -7.743893      3.398253
  H      -2.640480     -7.728966      1.944208
  H      -7.017925     -6.225085      3.258281
  H      -5.635480     -6.890857      4.130063
  H      -5.660839     -5.571237      1.366608
  H      -5.373525     -7.302660      1.690298
  H      -2.990949     -3.528010      0.105998
  H      -4.619901     -3.822625      0.710877
  H      -2.115941     -5.542501      1.099003
  H      -3.555950     -5.992218      0.144643
  C      -3.607779     -1.129937      1.055710
  C      -2.656512     -1.920009      1.976297
  C      -2.502356     -1.114495      3.261518
  C      -1.260169     -2.046033      1.308406
  C      -0.187066     -2.729576      2.156107
  C       0.993309     -3.277093      1.344366
  C       0.638553     -4.526581      0.530796
  C       1.780804     -4.916681     -0.430463
  C       3.164947     -4.524081      0.124584
  C       3.177249     -4.610547      1.651497
  C       2.183600     -3.605136      2.269499
  C      -6.496455     -2.834020      5.325569
  C      -6.846823     -4.107669      4.561697
  C      -7.548491     -5.055676      5.552682
  C      -7.821240     -3.740646      3.407220
  C      -7.271634     -2.725480      2.403070
  C      -8.051434     -2.624472      1.082829
  C      -9.546334     -2.342301      1.270182
  C     -10.211780     -1.968546     -0.070770
  C      -9.556280     -2.690457     -1.267624
  C      -8.995569     -4.047573     -0.839614
  C      -7.857301     -3.867448      0.183835
  C      -2.994767     -5.193228      7.068887
  C      -2.239779     -6.061183      6.060726
  C      -2.707714     -7.513903      6.288376
  C      -0.717644     -5.952149      6.326069
  C      -0.132974     -4.545805      6.186620
  C       1.397526     -4.499330      6.133079
  C       2.066113     -5.130574      7.362433
  C       3.594184     -5.053798      7.284728
  C       4.080141     -3.616226      7.083585
  C       3.415426     -2.975681      5.862230
  C       1.890495     -3.056515      5.956409
  H      -4.623386     -1.115490      1.477365
  H      -3.659450     -1.543828      0.040659
  H      -3.256271     -0.092667      0.968789
  H      -2.021975     -0.157775      3.014818
  H      -1.879251     -1.625288      4.003872
  H      -3.487640     -0.891745      3.694109
  H      -1.363576     -2.573390      0.347881
  H      -0.933226     -1.026520      1.047066
  H      -0.637280     -3.564677      2.723297
  H       0.198096     -2.025007      2.911514
  H       1.307632     -2.491245      0.632544
  H      -0.293811     -4.383646     -0.037650
  H       0.444019     -5.348111      1.244851
  H       1.746718     -6.001999     -0.614915
  H       1.625521     -4.431923     -1.406960
  H       3.411638     -3.492647     -0.176992
  H       3.944179     -5.166176     -0.311729
  H       2.908114     -5.637414      1.952313
  H       4.188911     -4.433988      2.046075
  H       1.789204     -4.014228      3.213909
  H       2.699828     -2.668653      2.534434
  H      -5.924473     -3.063797      6.233043
  H      -5.927113     -2.124754      4.713566
  H      -7.430992     -2.344626      5.633055
  H      -8.376176     -4.526718      6.045142
  H      -6.844031     -5.387270      6.329773
  H      -7.971740     -5.944696      5.067229
  H      -8.740401     -3.351830      3.873209
  H      -8.126953     -4.661382      2.886025
  H      -7.249553     -1.727057      2.869501
  H      -6.222824     -2.981505      2.173757
  H      -7.628893     -1.758110      0.542602
  H      -9.695550     -1.535786      2.005829
  H     -10.032248     -3.237308      1.693451
  H     -10.153964     -0.879647     -0.223981
  H     -11.283212     -2.217942     -0.025947
  H     -10.282755     -2.807167     -2.085094
  H      -8.733307     -2.078126     -1.672882
  H      -9.808531     -4.644737     -0.393713
  H      -8.637096     -4.618436     -1.709290
  H      -6.891537     -3.774915     -0.341803
  H      -7.784667     -4.773906      0.807319
  H      -2.857576     -5.618352      8.072409
  H      -2.603992     -4.172421      7.087607
  H      -4.071996     -5.172238      6.849638
  H      -2.191792     -8.239783      5.646264
  H      -2.506961     -7.803197      7.329249
  H      -3.789869     -7.596335      6.110307
  H      -0.536361     -6.341555      7.339880
  H      -0.183955     -6.636037      5.645089
  H      -0.467823     -3.910998      7.024749
  H      -0.529895     -4.079295      5.268198
  H       1.721759     -5.077939      5.244324
  H       1.716178     -4.595888      8.265382
  H       1.751764     -6.179686      7.476767
  H       4.041028     -5.486750      8.193238
  H       3.941543     -5.673583      6.438765
  H       5.176133     -3.594160      6.980100
  H       3.836864     -3.021331      7.982046
  H       3.736424     -1.927698      5.754216
  H       3.747052     -3.502908      4.950164
  H       1.425103     -2.608948      5.063014
  H       1.546041     -2.460285      6.821678
  N      -3.612035     -3.005718      5.116875
  N      -3.414154     -2.121366      6.069963
  H      -3.730331     -2.406136      7.000426
  H      -3.648698     -1.156493      5.823740
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655505-ClcP/orca E -5948.303405013001
  N      -3.201264     -3.303556      2.213748
  C      -3.549519     -3.966138      0.943871
  C      -3.206449     -5.431723      1.027378
  N      -3.807493     -5.972724      2.262704
  C      -5.241332     -6.283510      2.089987
  C      -5.939481     -6.101312      3.419326
  N      -5.636674     -4.769448      3.978597
  Mo     -3.720285     -4.257152      3.890502
  N      -2.555439     -5.672468      4.651791
  C      -1.924129     -6.538641      3.642737
  C      -3.025131     -7.118358      2.778364
  H      -1.344433     -7.346324      4.106365
  H      -1.210618     -5.964206      3.026999
  H      -3.680817     -7.744551      3.398183
  H      -2.640885     -7.729689      1.944280
  H      -7.018457     -6.225076      3.257995
  H      -5.636278     -6.891096      4.130078
  H      -5.661301     -5.572017      1.366378
  H      -5.374155     -7.303386      1.690370
  H      -2.991448     -3.529064      0.105500
  H      -4.620320     -3.823340      0.710844
  H      -2.116526     -5.543608      1.098379
  H      -3.556767     -5.993319      0.144379
  C      -3.607765     -1.131073      1.055301
  C      -2.656294     -1.921108      1.975713
  C      -2.501991     -1.115575      3.260865
  C      -1.260135     -2.047170      1.307584
  C      -0.186537     -2.729822      2.155427
  C       0.993946     -3.277332      1.343846
  C       0.639622     -4.527402      0.530968
  C       1.782013     -4.917861     -0.430033
  C       3.165943     -4.523449      0.124189
  C       3.178959     -4.609052      1.651151
  C       2.184341     -3.604498      2.269112
  C      -6.496005     -2.834559      5.326090
  C      -6.846790     -4.107898      4.561921
  C      -7.548347     -5.056196      5.552688
  C      -7.821198     -3.740340      3.407695
  C      -7.271568     -2.724687      2.403994
  C      -8.051226     -2.623341      1.083680
  C      -9.546201     -2.341519      1.270937
  C     -10.211501     -1.967356     -0.069962
  C      -9.556023     -2.689091     -1.266971
  C      -8.995034     -4.046154     -0.839164
  C      -7.856721     -3.865944      0.184212
  C      -2.995366     -5.194126      7.068913
  C      -2.240114     -6.061804      6.060723
  C      -2.707654     -7.514693      6.288216
  C      -0.718025     -5.952369      6.326038
  C      -0.133942     -4.545720      6.187130
  C       1.396530     -4.498722      6.133254
  C       2.065494     -5.129767      7.362504
  C       3.593531     -5.052438      7.284687
  C       4.078897     -3.614658      7.083589
  C       3.413922     -2.974399      5.862215
  C       1.889015     -3.055782      5.956378
  H      -4.623395     -1.116990      1.476931
  H      -3.659259     -1.544595      0.040090
  H      -3.256489     -0.093684      0.968811
  H      -2.021865     -0.158733      3.014107
  H      -1.878609     -1.626146      4.003155
  H      -3.487277     -0.892955      3.693565
  H      -1.363599     -2.575112      0.347389
  H      -0.933447     -1.027741      1.045543
  H      -0.636284     -3.564766      2.723231
  H       0.198478     -2.024632      2.910335
  H       1.307971     -2.491742      0.631603
  H      -0.292753     -4.385064     -0.037596
  H       0.445241     -5.348522      1.245543
  H       1.748799     -6.003470     -0.612946
  H       1.626159     -4.434593     -1.407174
  H       3.411399     -3.491943     -0.178161
  H       3.945664     -5.164997     -0.312066
  H       2.911054     -5.636075      1.952540
  H       4.190583     -4.431143      2.045209
  H       1.790029     -4.014174      3.213312
  H       2.699717     -2.667657      2.534437
  H      -5.924055     -3.064780      6.233470
  H      -5.926463     -2.125362      4.714186
  H      -7.430348     -2.344938      5.633807
  H      -8.375715     -4.527220      6.045676
  H      -6.843726     -5.388365      6.329391
  H      -7.972010     -5.944856      5.066917
  H      -8.740333     -3.351646      3.873850
  H      -8.127020     -4.660789      2.886054
  H      -7.249777     -1.726428      2.870780
  H      -6.222669     -2.980476      2.174740
  H      -7.628789     -1.756695      0.543823
  H      -9.695672     -1.535305      2.006867
  H     -10.032005     -3.236793      1.693775
  H     -10.153434     -0.878429     -0.222894
  H     -11.282986     -2.216550     -0.025264
  H     -10.282579     -2.805878     -2.084358
  H      -8.733201     -2.076576     -1.672264
  H      -9.807854     -4.643514     -0.393257
  H      -8.636535     -4.616858     -1.708938
  H      -6.891076     -3.772779     -0.341535
  H      -7.783640     -4.772621      0.807327
  H      -2.857942     -5.619279      8.072392
  H      -2.605452     -4.172988      7.087874
  H      -4.072597     -5.173813      6.849529
  H      -2.191480     -8.240441      5.646143
  H      -2.506870     -7.803875      7.329126
  H      -3.789779     -7.597459      6.110099
  H      -0.536617     -6.342028      7.339740
  H      -0.183955     -6.635783      5.644896
  H      -0.468867     -3.911416      7.025591
  H      -0.531205     -4.079034      5.268930
  H       1.720708     -5.077277      5.244439
  H       1.715441     -4.595244      8.265509
  H       1.751518     -6.179003      7.476774
  H       4.040633     -5.485306      8.193111
  H       3.941032     -5.671998      6.438613
  H       5.174883     -3.592125      6.980114
  H       3.835331     -3.019879      7.982054
  H       3.734490     -1.926284      5.754187
  H       3.745793     -3.501534      4.950178
  H       1.423508     -2.608566      5.062866
  H       1.544370     -2.459490      6.821533
  N      -3.611580     -3.006667      5.116753
  N      -3.412688     -2.122083      6.069326
  H      -3.729994     -2.405484      6.999827
  H      -3.645104     -1.156919      5.822201
