100
Coordinates from ORCA-job orca E -6429.410252551852
  N      -2.889888      0.554319      4.654278
  Mo     -3.558285      2.372925      4.833364
  N      -4.873888      1.998412      6.206399
  C      -4.415329      1.786637      7.570361
  C      -2.993370      1.222056      7.561964
  N      -2.168413      1.975370      6.606675
  C      -1.057227      1.161611      6.104402
  C      -1.609664      0.097114      5.134634
  C      -1.661901      3.220517      7.201056
  C      -1.721162      4.285174      6.097961
  N      -3.026321      4.163270      5.494467
  H      -0.893619     -0.049194      4.313126
  H      -1.719957     -0.869309      5.649392
  H      -0.373433      1.822998      5.568014
  H      -0.513778      0.687172      6.931071
  H      -1.544021      5.281237      6.516691
  H      -0.941806      4.091508      5.346393
  H      -2.327943      3.528734      8.010502
  H      -0.650904      3.092945      7.600667
  H      -5.070868      1.077920      8.096300
  H      -4.446734      2.732100      8.133510
  H      -3.040289      0.180505      7.235956
  H      -2.554118      1.252466      8.566192
  C      -3.848583     -0.490341      4.427423
  C      -3.471455     -1.399772      3.243044
  C      -3.406462     -0.617948      1.937557
  O      -4.743359     -0.245000      1.578035
  C      -4.890934      0.183903      0.271756
  C      -5.668630     -0.553526     -0.602116
  C      -5.826446     -0.098591     -1.911224
  N      -5.271070      0.993863     -2.384043
  C      -4.513321      1.735059     -1.551604
  C      -3.918589      2.921881     -2.021608
  C      -3.164795      3.675999     -1.148891
  C      -3.020649      3.243781      0.168560
  N      -3.551660      2.135809      0.646696
  C      -4.289468      1.379496     -0.191089
  C      -3.937177      5.230364      5.830588
  C      -4.999684      5.387774      4.744543
  C      -4.362366      5.793022      3.411490
  O      -5.042880      5.217927      2.304011
  C      -6.272731      5.684510      1.944579
  C      -6.815823      6.899757      2.311568
  C      -8.037135      7.285093      1.756169
  N      -8.709585      6.584817      0.875747
  C      -8.214551      5.387735      0.511434
  C      -8.891786      4.619061     -0.458907
  C      -8.386272      3.383598     -0.786866
  C      -7.260429      2.916219     -0.106356
  N      -6.577642      3.610452      0.777596
  C      -7.019036      4.855730      1.061615
  C      -6.306232      1.905075      6.120218
  C      -7.058274      3.071437      6.803353
  C      -8.269421      3.473777      5.972279
  O      -7.803753      3.962147      4.708889
  C      -8.716246      3.802133      3.678360
  C      -9.676104      4.769547      3.428579
  C     -10.572517      4.571140      2.386320
  N     -10.587534      3.496394      1.624064
  C      -9.680976      2.529851      1.865315
  C      -9.701977      1.353571      1.095357
  C      -8.779059      0.358285      1.369688
  C      -7.834256      0.573244      2.359595
  N      -7.766866      1.672386      3.103233
  C      -8.688839      2.639428      2.879493
  H      -3.956553     -1.129308      5.324342
  H      -4.818993     -0.026441      4.211776
  H      -2.498720     -1.858921      3.419213
  H      -4.219579     -2.187603      3.145519
  H      -2.984218     -1.242939      1.140714
  H      -2.789929      0.284531      2.049023
  H      -6.141638     -1.462963     -0.266838
  H      -6.428252     -0.656378     -2.616133
  H      -4.075301      3.211067     -3.048843
  H      -2.694354      4.592307     -1.469435
  H      -2.436808      3.809291      0.881980
  H      -3.389199      6.179075      5.926271
  H      -4.442751      5.038815      6.794096
  H      -5.751533      6.115905      5.052258
  H      -5.496953      4.422276      4.603333
  H      -3.356627      5.360358      3.343312
  H      -4.289020      6.879927      3.301213
  H      -6.316073      7.565219      2.995546
  H      -8.481262      8.232460      2.030792
  H      -9.784436      5.018241     -0.912124
  H      -8.855925      2.761468     -1.531492
  H      -6.894648      1.915222     -0.285938
  H      -6.657453      0.955394      6.560772
  H      -6.584900      1.908901      5.065684
  H      -6.394936      3.934679      6.870930
  H      -7.391107      2.804528      7.806022
  H      -8.847818      4.262799      6.470998
  H      -8.925547      2.608743      5.811725
  H      -9.716862      5.661658      4.033659
  H     -11.322584      5.313959      2.154008
  H     -10.448735      1.246291      0.325292
  H      -8.777175     -0.564963      0.812174
  H      -7.073910     -0.167084      2.575798
  N      -4.656158      2.767613      3.051287
  H      -5.181384      2.956433      2.198735
100
Coordinates from ORCA-job orca E -6429.448117439075
  N      -2.770970      0.562387      4.688130
  Mo     -3.489563      2.377322      4.873054
  N      -4.850073      1.969619      6.191799
  C      -4.429816      1.743199      7.574167
  C      -2.999880      1.201109      7.611214
  N      -2.148509      1.985383      6.691897
  C      -0.999598      1.198377      6.214136
  C      -1.492695      0.135677      5.212386
  C      -1.681210      3.236575      7.317814
  C      -1.719495      4.309474      6.224071
  N      -3.005870      4.182644      5.571107
  H      -0.740800      0.015423      4.414946
  H      -1.596881     -0.842245      5.714040
  H      -0.311349      1.886356      5.710857
  H      -0.471376      0.724160      7.055945
  H      -1.570193      5.306486      6.661156
  H      -0.907493      4.134427      5.498670
  H      -2.380561      3.525304      8.110222
  H      -0.678966      3.117150      7.753169
  H      -5.095056      1.016778      8.068834
  H      -4.493219      2.682916      8.151952
  H      -3.016119      0.161080      7.268691
  H      -2.595903      1.224244      8.634834
  C      -3.685477     -0.531786      4.425103
  C      -3.264268     -1.459443      3.262150
  C      -3.226679     -0.751450      1.916768
  O      -4.595301     -0.484349      1.551494
  C      -4.813452     -0.147626      0.235712
  C      -5.577830     -0.984635     -0.558640
  C      -5.825623     -0.619591     -1.890967
  N      -5.368997      0.483184     -2.456740
  C      -4.624260      1.322719     -1.694716
  C      -4.136452      2.526181     -2.250670
  C      -3.403363      3.379802     -1.451294
  C      -3.166581      3.027417     -0.113760
  N      -3.590951      1.907812      0.441718
  C      -4.313128      1.058081     -0.323292
  C      -3.948625      5.243848      5.901506
  C      -5.011570      5.476553      4.823179
  C      -4.393140      5.983012      3.517375
  O      -5.086125      5.486066      2.375571
  C      -6.324364      5.924844      2.060694
  C      -6.939443      7.081089      2.509839
  C      -8.191407      7.425383      1.975380
  N      -8.826425      6.741033      1.040876
  C      -8.250091      5.594747      0.602498
  C      -8.876000      4.831762     -0.412121
  C      -8.293648      3.645763     -0.803431
  C      -7.130230      3.212184     -0.147152
  N      -6.492971      3.904927      0.778072
  C      -7.019453      5.105928      1.125919
  C      -6.285552      1.865394      6.033404
  C      -7.092184      2.991834      6.736877
  C      -8.307376      3.422387      5.923576
  O      -7.878204      4.011017      4.686560
  C      -8.808750      3.887696      3.677345
  C      -9.812702      4.827448      3.515591
  C     -10.737030      4.657970      2.478917
  N     -10.726352      3.636535      1.637764
  C      -9.760196      2.698336      1.790358
  C      -9.727362      1.584959      0.925318
  C      -8.743475      0.626973      1.103238
  C      -7.784432      0.815071      2.103082
  N      -7.766202      1.854000      2.931986
  C      -8.747595      2.782005      2.795726
  H      -3.777473     -1.160402      5.333818
  H      -4.674088     -0.116130      4.189748
  H      -2.271266     -1.874030      3.468287
  H      -3.981941     -2.284925      3.187075
  H      -2.773381     -1.402160      1.153464
  H      -2.656856      0.187377      1.971399
  H      -5.976503     -1.905712     -0.146383
  H      -6.423616     -1.264935     -2.532754
  H      -4.360593      2.750444     -3.288515
  H      -3.015295      4.315513     -1.841620
  H      -2.591749      3.677596      0.543820
  H      -3.405528      6.192816      6.048768
  H      -4.467513      5.005531      6.850845
  H      -5.762501      6.188640      5.183883
  H      -5.515308      4.522756      4.616876
  H      -3.384542      5.567924      3.399958
  H      -4.331964      7.080614      3.492535
  H      -6.476119      7.731080      3.242854
  H      -8.692919      8.330128      2.316395
  H      -9.800956      5.196084     -0.845109
  H      -8.733656      3.026132     -1.578167
  H      -6.700831      2.240877     -0.379950
  H      -6.636918      0.895799      6.434187
  H      -6.518892      1.895439      4.954985
  H      -6.445261      3.866186      6.867993
  H      -7.446235      2.664614      7.720372
  H      -8.902672      4.167302      6.474849
  H      -8.947351      2.552340      5.711190
  H      -9.870885      5.683164      4.179990
  H     -11.526232      5.389442      2.318665
  H     -10.480727      1.503551      0.148846
  H      -8.697380     -0.249288      0.464503
  H      -6.971063      0.101945      2.241624
  N      -4.487283      2.754275      3.134227
  H      -4.984478      2.947222      2.260932
100
Coordinates from ORCA-job orca E -6429.475283986485
  N      -2.772532      0.554491      4.682308
  Mo     -3.496277      2.386335      4.887966
  N      -4.870004      1.980871      6.200388
  C      -4.452957      1.742504      7.588346
  C      -3.029612      1.186442      7.630430
  N      -2.161568      1.972700      6.717807
  C      -1.009137      1.181986      6.235598
  C      -1.493598      0.130493      5.219316
  C      -1.686702      3.223510      7.354623
  C      -1.709213      4.299623      6.264109
  N      -2.995724      4.195531      5.597616
  H      -0.729103      0.019891      4.428619
  H      -1.600187     -0.856109      5.710546
  H      -0.316460      1.878447      5.743935
  H      -0.483882      0.699654      7.079271
  H      -1.551710      5.296996      6.706470
  H      -0.889498      4.117178      5.545451
  H      -2.389723      3.512754      8.147270
  H      -0.685264      3.090361      7.798105
  H      -5.128606      1.016847      8.075718
  H      -4.511234      2.680889      8.175055
  H      -3.050084      0.146748      7.279497
  H      -2.629941      1.198995      8.659670
  C      -3.673388     -0.556370      4.392959
  C      -3.231217     -1.466547      3.223080
  C      -3.201215     -0.760016      1.877758
  O      -4.584542     -0.527389      1.511711
  C      -4.840915     -0.191598      0.212233
  C      -5.605114     -1.042756     -0.567345
  C      -5.904667     -0.675449     -1.897479
  N      -5.497388      0.447365     -2.476496
  C      -4.750683      1.303683     -1.720315
  C      -4.312774      2.531415     -2.275393
  C      -3.585078      3.401049     -1.487445
  C      -3.296382      3.042092     -0.151227
  N      -3.669660      1.901602      0.402166
  C      -4.390347      1.036452     -0.355025
  C      -3.939766      5.266773      5.917477
  C      -4.992002      5.520764      4.832218
  C      -4.359596      6.025102      3.533911
  O      -5.059035      5.546772      2.379422
  C      -6.275175      6.009278      2.070386
  C      -6.868787      7.176979      2.529400
  C      -8.120882      7.550296      1.996289
  N      -8.778979      6.883992      1.054122
  C      -8.218022      5.720555      0.610604
  C      -8.864273      4.962975     -0.399193
  C      -8.311628      3.760704     -0.789439
  C      -7.142005      3.301962     -0.142465
  N      -6.483262      3.988630      0.778851
  C      -6.989986      5.203513      1.128950
  C      -6.311926      1.886779      6.020275
  C      -7.133463      3.009945      6.718979
  C      -8.345520      3.426182      5.899076
  O      -7.904154      4.003809      4.657603
  C      -8.804588      3.851729      3.637281
  C      -9.802308      4.777412      3.395920
  C     -10.689844      4.556935      2.321683
  N     -10.642568      3.500053      1.518138
  C      -9.671301      2.572771      1.755578
  C      -9.580256      1.423244      0.935970
  C      -8.600307      0.485057      1.202770
  C      -7.688489      0.722646      2.253135
  N      -7.720277      1.795026      3.035351
  C      -8.703179      2.705517      2.805222
  H      -3.759873     -1.191196      5.300254
  H      -4.669153     -0.157106      4.155888
  H      -2.227781     -1.865918      3.435986
  H      -3.935234     -2.309149      3.139711
  H      -2.732562     -1.401126      1.111890
  H      -2.653059      0.192386      1.932172
  H      -5.968117     -1.981538     -0.147748
  H      -6.506715     -1.342249     -2.523267
  H      -4.574597      2.760481     -3.309212
  H      -3.237539      4.357568     -1.880739
  H      -2.722770      3.711846      0.497348
  H      -3.383927      6.210019      6.076052
  H      -4.472447      5.029463      6.862552
  H      -5.735826      6.243299      5.198876
  H      -5.512217      4.575251      4.609346
  H      -3.357100      5.594219      3.417473
  H      -4.280093      7.125898      3.517192
  H      -6.387593      7.814605      3.270082
  H      -8.600924      8.468731      2.350391
  H      -9.791823      5.344392     -0.825961
  H      -8.781746      3.140698     -1.554864
  H      -6.734088      2.315060     -0.377521
  H      -6.665503      0.913224      6.414472
  H      -6.531273      1.919632      4.934001
  H      -6.487839      3.889438      6.859234
  H      -7.500587      2.681484      7.702836
  H      -8.957045      4.169399      6.440530
  H      -8.974388      2.544619      5.686046
  H      -9.887012      5.667933      4.018838
  H     -11.474522      5.286122      2.100997
  H     -10.289756      1.307744      0.116041
  H      -8.511339     -0.418937      0.598454
  H      -6.877001      0.018300      2.460856
  N      -4.416377      2.756704      3.253934
  H      -4.903045      2.968771      2.376540
100
Coordinates from ORCA-job orca E -6429.488467894825
  N      -2.761038      0.542944      4.678839
  Mo     -3.484586      2.394847      4.878711
  N      -4.859245      2.006249      6.201105
  C      -4.438252      1.771352      7.591363
  C      -3.019796      1.205770      7.635959
  N      -2.143508      1.982553      6.718083
  C      -0.994227      1.180883      6.237478
  C      -1.481937      0.125407      5.227455
  C      -1.659794      3.241659      7.343156
  C      -1.675183      4.308984      6.242190
  N      -2.962488      4.214689      5.573845
  H      -0.711927      0.006418      4.441332
  H      -1.591581     -0.859030      5.725829
  H      -0.299145      1.874833      5.743472
  H      -0.469103      0.703247      7.085874
  H      -1.510521      5.310512      6.677101
  H      -0.853388      4.115016      5.527518
  H      -2.362073      3.539606      8.134691
  H      -0.658876      3.103039      7.790406
  H      -5.119761      1.052284      8.082788
  H      -4.490110      2.713075      8.175402
  H      -3.043390      0.164020      7.288087
  H      -2.619491      1.220132      8.666397
  C      -3.664593     -0.570115      4.392607
  C      -3.221569     -1.486524      3.235709
  C      -3.193766     -0.788516      1.890200
  O      -4.578783     -0.557783      1.503656
  C      -4.794418     -0.221586      0.206321
  C      -5.545765     -1.055572     -0.602126
  C      -5.801346     -0.674506     -1.941545
  N      -5.364690      0.446999     -2.506074
  C      -4.628692      1.287413     -1.715638
  C      -4.161326      2.518435     -2.242930
  C      -3.454049      3.374954     -1.425483
  C      -3.207942      3.001009     -0.078967
  N      -3.605032      1.856760      0.448819
  C      -4.310920      1.005829     -0.341699
  C      -3.911279      5.283474      5.881582
  C      -4.962928      5.503557      4.793668
  C      -4.347236      5.994894      3.486630
  O      -5.044663      5.482676      2.336089
  C      -6.276163      5.899394      2.048798
  C      -6.911206      7.029738      2.548782
  C      -8.187563      7.368351      2.044099
  N      -8.837091      6.712181      1.087513
  C      -8.232620      5.582645      0.603130
  C      -8.867145      4.831317     -0.418242
  C      -8.285159      3.659239     -0.848216
  C      -7.088050      3.220730     -0.232747
  N      -6.434742      3.903373      0.698593
  C      -6.978394      5.091326      1.089999
  C      -6.302149      1.923588      6.011192
  C      -7.121387      3.037415      6.718642
  C      -8.350424      3.451816      5.926801
  O      -7.968097      4.064808      4.675417
  C      -8.916790      3.923220      3.702362
  C      -9.948666      4.828736      3.557142
  C     -10.902145      4.623359      2.531658
  N     -10.881036      3.605639      1.677853
  C      -9.861620      2.703519      1.808665
  C      -9.774271      1.609003      0.913121
  C      -8.742730      0.702040      1.055373
  C      -7.772236      0.911630      2.067070
  N      -7.802590      1.930451      2.918130
  C      -8.833553      2.814132      2.805147
  H      -3.753528     -1.194022      5.307849
  H      -4.660815     -0.172421      4.153513
  H      -2.215546     -1.883172      3.452432
  H      -3.921962     -2.335341      3.159722
  H      -2.720752     -1.429648      1.126402
  H      -2.652131      0.167689      1.942631
  H      -5.933981     -1.994011     -0.200081
  H      -6.394107     -1.334989     -2.585586
  H      -4.390367      2.760521     -3.283610
  H      -3.088793      4.334706     -1.798741
  H      -2.651483      3.666405      0.591350
  H      -3.359261      6.231326      6.035040
  H      -4.447582      5.055576      6.828263
  H      -5.718091      6.218848      5.154953
  H      -5.468680      4.548614      4.585650
  H      -3.336005      5.584798      3.369318
  H      -4.292523      7.098078      3.452142
  H      -6.444224      7.663002      3.304647
  H      -8.693269      8.258375      2.438218
  H      -9.816725      5.192261     -0.818787
  H      -8.753724      3.039588     -1.617823
  H      -6.660635      2.252316     -0.502972
  H      -6.653362      0.947667      6.403191
  H      -6.520007      1.959998      4.926501
  H      -6.476230      3.918319      6.867411
  H      -7.479419      2.698287      7.704695
  H      -8.955299      4.178667      6.498596
  H      -8.977748      2.566792      5.717567
  H     -10.014902      5.697343      4.215940
  H     -11.716613      5.343506      2.397249
  H     -10.525864      1.520569      0.124903
  H      -8.651539     -0.155222      0.383968
  H      -6.915277      0.230764      2.168544
  N      -4.333750      2.737409      3.346683
  H      -4.810394      2.955997      2.465533
100
Coordinates from ORCA-job orca E -6429.493971839657
  N      -2.803272      0.535629      4.660258
  Mo     -3.531294      2.392353      4.884556
  N      -4.899064      2.021006      6.226317
  C      -4.474054      1.783368      7.612084
  C      -3.064406      1.196649      7.650192
  N      -2.179980      1.962667      6.734507
  C      -1.041239      1.154780      6.245547
  C      -1.532834      0.112984      5.223342
  C      -1.687030      3.219328      7.353348
  C      -1.686725      4.278956      6.245280
  N      -2.969033      4.212336      5.567775
  H      -0.753643     -0.006689      4.446780
  H      -1.651298     -0.875251      5.710985
  H      -0.342739      1.849849      5.759925
  H      -0.516898      0.670076      7.089583
  H      -1.506806      5.279738      6.675178
  H      -0.863247      4.069943      5.538020
  H      -2.388339      3.524896      8.141943
  H      -0.691016      3.069796      7.806030
  H      -5.164204      1.074704      8.105512
  H      -4.511766      2.724107      8.196745
  H      -3.098967      0.157207      7.298204
  H      -2.661830      1.202285      8.679028
  C      -3.697563     -0.572320      4.344302
  C      -3.227657     -1.468198      3.184622
  C      -3.210294     -0.763153      1.843332
  O      -4.598091     -0.579661      1.436242
  C      -4.805965     -0.242963      0.136148
  C      -5.534346     -1.087115     -0.683414
  C      -5.788686     -0.705493     -2.019302
  N      -5.375200      0.425580     -2.576213
  C      -4.666651      1.277482     -1.777215
  C      -4.232763      2.523565     -2.294887
  C      -3.562083      3.398976     -1.469551
  C      -3.314105      3.026744     -0.125807
  N      -3.676738      1.867424      0.392462
  C      -4.351956      0.999894     -0.405288
  C      -3.895866      5.297066      5.876868
  C      -4.937332      5.550990      4.789294
  C      -4.297995      6.045935      3.496591
  O      -4.996072      5.561741      2.333281
  C      -6.221105      6.006333      2.038538
  C      -6.840538      7.145136      2.535954
  C      -8.107443      7.503706      2.027905
  N      -8.766302      6.860945      1.073668
  C      -8.182546      5.718767      0.599675
  C      -8.840721      4.959200     -0.398086
  C      -8.291889      3.762556     -0.800184
  C      -7.094238      3.318633     -0.193970
  N      -6.421235      4.007850      0.714386
  C      -6.939508      5.209225      1.086260
  C      -6.338932      1.955808      6.037062
  C      -7.135461      3.080418      6.745352
  C      -8.371909      3.474723      5.960444
  O      -7.985203      4.053779      4.692493
  C      -8.907603      3.851905      3.702983
  C      -9.927330      4.750098      3.460698
  C     -10.842875      4.481213      2.419476
  N     -10.795859      3.416010      1.631422
  C      -9.782791      2.526664      1.849852
  C      -9.650059      1.396543      1.007274
  C      -8.622608      0.503491      1.233276
  C      -7.703368      0.760692      2.276742
  N      -7.772168      1.817443      3.076662
  C      -8.797327      2.691132      2.876854
  H      -3.794252     -1.206493      5.251167
  H      -4.695765     -0.180006      4.105037
  H      -2.215810     -1.844630      3.403175
  H      -3.901677     -2.336414      3.102142
  H      -2.712945     -1.384357      1.080264
  H      -2.705641      0.211826      1.902621
  H      -5.904151     -2.035191     -0.291488
  H      -6.360093     -1.377531     -2.667389
  H      -4.462149      2.762631     -3.334491
  H      -3.228229      4.371567     -1.833487
  H      -2.790090      3.710211      0.549203
  H      -3.321255      6.228405      6.044092
  H      -4.441729      5.081365      6.820776
  H      -5.676846      6.275885      5.159246
  H      -5.468376      4.613670      4.564817
  H      -3.296006      5.613499      3.383926
  H      -4.217448      7.145991      3.470642
  H      -6.367013      7.769652      3.291670
  H      -8.595338      8.401929      2.420877
  H      -9.789595      5.325962     -0.790714
  H      -8.792884      3.124812     -1.530596
  H      -6.688742      2.336412     -0.444645
  H      -6.698783      0.983218      6.427961
  H      -6.558252      1.993949      4.956556
  H      -6.486891      3.960170      6.878013
  H      -7.481251      2.757872      7.740049
  H      -8.978873      4.210261      6.516650
  H      -8.995507      2.583578      5.771556
  H     -10.004743      5.666230      4.047048
  H     -11.643975      5.196292      2.211621
  H     -10.351920      1.281678      0.179710
  H      -8.491951     -0.376412      0.601776
  H      -6.852569      0.090747      2.440722
  N      -4.359638      2.737777      3.379788
  H      -4.830375      2.962098      2.497859
100
Coordinates from ORCA-job orca E -6429.497881041176
  N      -2.821425      0.521982      4.671678
  Mo     -3.553178      2.378792      4.902541
  N      -4.911860      2.041570      6.267206
  C      -4.483771      1.818963      7.652010
  C      -3.083813      1.210642      7.688989
  N      -2.192157      1.953905      6.765038
  C      -1.065596      1.131518      6.277008
  C      -1.564399      0.091291      5.256965
  C      -1.690016      3.218186      7.358033
  C      -1.669268      4.252800      6.226215
  N      -2.946653      4.204093      5.538998
  H      -0.775057     -0.044869      4.493179
  H      -1.699017     -0.893837      5.747080
  H      -0.361173      1.818958      5.789206
  H      -0.541812      0.647612      7.121928
  H      -1.470754      5.259117      6.634933
  H      -0.843751      4.014315      5.530808
  H      -2.391587      3.546397      8.137207
  H      -0.699260      3.065535      7.821175
  H      -5.181969      1.126862      8.157812
  H      -4.506357      2.766666      8.225803
  H      -3.132906      0.169105      7.344789
  H      -2.677447      1.218092      8.716532
  C      -3.714201     -0.573999      4.323270
  C      -3.229124     -1.452409      3.157604
  C      -3.205414     -0.731970      1.824202
  O      -4.590688     -0.557140      1.402093
  C      -4.788679     -0.192993      0.105492
  C      -5.537535     -1.009077     -0.725056
  C      -5.789600     -0.603142     -2.051999
  N      -5.356743      0.527117     -2.593228
  C      -4.630193      1.353272     -1.785535
  C      -4.180997      2.600247     -2.287490
  C      -3.499517      3.457520     -1.452162
  C      -3.253150      3.064037     -0.116339
  N      -3.626928      1.900542      0.387002
  C      -4.315211      1.051208     -0.419619
  C      -3.851352      5.309832      5.830298
  C      -4.897769      5.552771      4.744883
  C      -4.256670      5.998779      3.435290
  O      -4.967109      5.492270      2.288434
  C      -6.194829      5.943643      2.004280
  C      -6.799376      7.084313      2.513582
  C      -8.067437      7.457028      2.021792
  N      -8.742978      6.824462      1.074436
  C      -8.177224      5.677990      0.591314
  C      -8.857610      4.925385     -0.396554
  C      -8.326237      3.723804     -0.808546
  C      -7.121604      3.270593     -0.225801
  N      -6.430075      3.953330      0.672823
  C      -6.932324      5.156416      1.058233
  C      -6.350813      1.989212      6.077135
  C      -7.136479      3.128291      6.769157
  C      -8.389453      3.486598      5.992622
  O      -8.020460      4.043913      4.707404
  C      -8.948979      3.821447      3.725746
  C      -9.970798      4.715269      3.474308
  C     -10.893637      4.428796      2.446136
  N     -10.851012      3.352879      1.673592
  C      -9.827405      2.476366      1.888506
  C      -9.686247      1.347330      1.045915
  C      -8.637950      0.474810      1.257314
  C      -7.717562      0.744812      2.293455
  N      -7.798859      1.797098      3.098228
  C      -8.837039      2.655934      2.907584
  H      -3.832861     -1.220953      5.218990
  H      -4.707566     -0.172408      4.078245
  H      -2.216805     -1.826082      3.376842
  H      -3.892705     -2.327536      3.063870
  H      -2.693904     -1.338256      1.058758
  H      -2.717054      0.249919      1.898916
  H      -5.924304     -1.955974     -0.347323
  H      -6.375352     -1.255956     -2.706800
  H      -4.410716      2.855848     -3.322864
  H      -3.158281      4.432503     -1.801857
  H      -2.726510      3.736514      0.567195
  H      -3.257186      6.232995      5.973004
  H      -4.395239      5.132946      6.784058
  H      -5.622216      6.297594      5.104493
  H      -5.450653      4.621204      4.548990
  H      -3.262472      5.545792      3.333205
  H      -4.157635      7.095537      3.371502
  H      -6.312349      7.700747      3.267261
  H      -8.541159      8.358007      2.425641
  H      -9.809426      5.300864     -0.773183
  H      -8.846300      3.090628     -1.528319
  H      -6.723549      2.287898     -0.490734
  H      -6.719400      1.022844      6.476353
  H      -6.569257      2.015756      4.999301
  H      -6.492938      4.015304      6.872602
  H      -7.461744      2.832728      7.779150
  H      -9.000760      4.225989      6.538352
  H      -9.004735      2.584748      5.831115
  H     -10.042678      5.642185      4.043467
  H     -11.699985      5.138288      2.238824
  H     -10.391242      1.223533      0.222740
  H      -8.493755     -0.399230      0.620907
  H      -6.855718      0.088081      2.447356
  N      -4.391450      2.719895      3.376387
  H      -4.860432      2.939901      2.492117
100
Coordinates from ORCA-job orca E -6429.501165249485
  N      -2.815034      0.494161      4.691307
  Mo     -3.568890      2.347829      4.925041
  N      -4.917667      2.044990      6.314897
  C      -4.489694      1.843963      7.700230
  C      -3.097838      1.218884      7.740362
  N      -2.198790      1.939476      6.808499
  C      -1.079289      1.107166      6.323718
  C      -1.573158      0.064788      5.305984
  C      -1.693997      3.217336      7.367754
  C      -1.653301      4.219730      6.207797
  N      -2.922838      4.183843      5.507694
  H      -0.767505     -0.085718      4.560856
  H      -1.721359     -0.917471      5.799881
  H      -0.371119      1.790468      5.834991
  H      -0.554458      0.627707      7.171196
  H      -1.438734      5.233593      6.591144
  H      -0.823669      3.950185      5.528499
  H      -2.398504      3.568978      8.134245
  H      -0.708699      3.068624      7.845125
  H      -5.195341      1.168427      8.219401
  H      -4.500429      2.800187      8.260404
  H      -3.156816      0.174388      7.405178
  H      -2.690052      1.230921      8.768263
  C      -3.697367     -0.595783      4.306117
  C      -3.197721     -1.444070      3.126311
  C      -3.179808     -0.694803      1.809637
  O      -4.569675     -0.528114      1.388731
  C      -4.779928     -0.121857      0.107272
  C      -5.573241     -0.895469     -0.723289
  C      -5.848602     -0.453060     -2.032934
  N      -5.399220      0.676505     -2.560777
  C      -4.630833      1.463788     -1.753251
  C      -4.166139      2.711290     -2.240079
  C      -3.448042      3.537180     -1.404723
  C      -3.178759      3.109962     -0.084358
  N      -3.563015      1.943001      0.403348
  C      -4.288926      1.124332     -0.402646
  C      -3.812333      5.306581      5.780610
  C      -4.870440      5.540000      4.702979
  C      -4.239686      5.937702      3.372715
  O      -4.967264      5.411468      2.242009
  C      -6.191751      5.877392      1.961336
  C      -6.771740      7.034679      2.461404
  C      -8.035996      7.426958      1.974684
  N      -8.733836      6.794637      1.043875
  C      -8.194402      5.630012      0.572520
  C      -8.897288      4.877528     -0.399974
  C      -8.387833      3.665064     -0.809774
  C      -7.182950      3.198846     -0.238363
  N      -6.473214      3.880385      0.647155
  C      -6.952575      5.093136      1.030337
  C      -6.354895      2.005107      6.111865
  C      -7.128930      3.168072      6.769569
  C      -8.387573      3.502481      5.990891
  O      -8.024554      4.036232      4.690337
  C      -8.954764      3.799857      3.713051
  C      -9.973593      4.696034      3.455563
  C     -10.906355      4.402820      2.438644
  N     -10.880216      3.315714      1.681483
  C      -9.853894      2.441251      1.893266
  C      -9.726819      1.302008      1.061530
  C      -8.668731      0.437578      1.258541
  C      -7.734726      0.717421      2.279037
  N      -7.810954      1.771105      3.082597
  C      -8.851713      2.628428      2.900659
  H      -3.832557     -1.260841      5.186840
  H      -4.689696     -0.190347      4.061299
  H      -2.181143     -1.811975      3.336719
  H      -3.845939     -2.329567      3.017048
  H      -2.659636     -1.275116      1.030122
  H      -2.712048      0.294505      1.906929
  H      -5.976875     -1.840705     -0.358203
  H      -6.468841     -1.077706     -2.684349
  H      -4.415736      2.992664     -3.264497
  H      -3.096532      4.513659     -1.740807
  H      -2.627071      3.761825      0.599839
  H      -3.201798      6.223169      5.898798
  H      -4.350820      5.167439      6.744928
  H      -5.577600      6.303360      5.059047
  H      -5.445621      4.615853      4.539516
  H      -3.254811      5.463704      3.276266
  H      -4.121723      7.029800      3.269919
  H      -6.266717      7.651200      3.203310
  H      -8.485840      8.343140      2.373345
  H      -9.846139      5.266187     -0.772163
  H      -8.922590      3.037578     -1.523565
  H      -6.796109      2.211968     -0.508689
  H      -6.740572      1.049550      6.523277
  H      -6.562135      2.010527      5.033910
  H      -6.484013      4.057207      6.845514
  H      -7.445012      2.908308      7.793213
  H      -8.999046      4.253665      6.520009
  H      -9.003895      2.597621      5.852276
  H     -10.036915      5.630115      4.014438
  H     -11.713683      5.114108      2.237404
  H     -10.449471      1.165881      0.255265
  H      -8.528679     -0.440066      0.625561
  H      -6.869917      0.061293      2.422175
  N      -4.396215      2.670362      3.394305
  H      -4.855956      2.883913      2.504129
100
Coordinates from ORCA-job orca E -6429.503796610424
  N      -2.834285      0.455362      4.703958
  Mo     -3.592421      2.310504      4.925238
  N      -4.927076      2.058055      6.345038
  C      -4.495570      1.883814      7.730146
  C      -3.114772      1.236972      7.771310
  N      -2.210990      1.923315      6.821526
  C      -1.106830      1.068205      6.343080
  C      -1.609741      0.017087      5.342225
  C      -1.690824      3.212897      7.335879
  C      -1.627781      4.174832      6.143801
  N      -2.893162      4.151991      5.438171
  H      -0.795099     -0.162956      4.612289
  H      -1.780226     -0.954991      5.850688
  H      -0.391022      1.735006      5.842532
  H      -0.581823      0.595004      7.194498
  H      -1.387554      5.195354      6.494697
  H      -0.801900      3.864146      5.477319
  H      -2.391480      3.598964      8.089390
  H      -0.709152      3.066294      7.822762
  H      -5.208372      1.231649      8.270152
  H      -4.486463      2.851759      8.270294
  H      -3.192765      0.188123      7.452680
  H      -2.700100      1.257841      8.797194
  C      -3.720694     -0.619383      4.289288
  C      -3.220170     -1.441753      3.092852
  C      -3.184455     -0.651203      1.801718
  O      -4.571179     -0.447321      1.379288
  C      -4.772445      0.030086      0.124056
  C      -5.633514     -0.654710     -0.717197
  C      -5.910607     -0.142613     -2.001194
  N      -5.402726      0.977189     -2.495100
  C      -4.567645      1.680385     -1.675093
  C      -4.041522      2.917535     -2.123566
  C      -3.258601      3.666294     -1.274224
  C      -2.986945      3.169971      0.021578
  N      -3.424972      2.007627      0.471478
  C      -4.215818      1.264937     -0.347512
  C      -3.759626      5.298603      5.685847
  C      -4.828080      5.519029      4.613975
  C      -4.213030      5.857089      3.259841
  O      -4.961345      5.302591      2.153242
  C      -6.186601      5.770159      1.878358
  C      -6.753824      6.938318      2.368670
  C      -8.024023      7.330342      1.895657
  N      -8.741286      6.685013      0.988129
  C      -8.214120      5.510315      0.526135
  C      -8.938673      4.745370     -0.420758
  C      -8.440873      3.526193     -0.825137
  C      -7.224234      3.066093     -0.274199
  N      -6.495427      3.758052      0.588031
  C      -6.964369      4.976200      0.968449
  C      -6.365793      2.032735      6.141317
  C      -7.121379      3.220992      6.771958
  C      -8.392397      3.537173      6.007747
  O      -8.047120      4.039797      4.689791
  C      -8.987552      3.776275      3.732035
  C     -10.010476      4.666777      3.468190
  C     -10.959058      4.351481      2.472459
  N     -10.943621      3.247646      1.738679
  C      -9.910326      2.380655      1.952222
  C      -9.791382      1.227206      1.139116
  C      -8.722746      0.373728      1.330701
  C      -7.774255      0.674995      2.332475
  N      -7.846899      1.738024      3.123487
  C      -8.893524      2.588919      2.942357
  H      -3.880523     -1.301661      5.152451
  H      -4.705258     -0.195506      4.042587
  H      -2.206949     -1.824804      3.295228
  H      -3.872815     -2.320762      2.958219
  H      -2.666747     -1.208781      1.004375
  H      -2.709679      0.329530      1.936804
  H      -6.089246     -1.586850     -0.380129
  H      -6.585419     -0.700948     -2.659172
  H      -4.297596      3.253499     -3.130046
  H      -2.857302      4.634011     -1.579329
  H      -2.384114      3.762312      0.717229
  H      -3.130247      6.206934      5.769069
  H      -4.290459      5.204950      6.660564
  H      -5.515245      6.305929      4.958652
  H      -5.424798      4.603390      4.491445
  H      -3.237678      5.362669      3.170282
  H      -4.078789      6.942181      3.111369
  H      -6.235049      7.563508      3.093857
  H      -8.460852      8.256070      2.287623
  H      -9.894010      5.131914     -0.779072
  H      -8.992040      2.890833     -1.520075
  H      -6.843975      2.076994     -0.542594
  H      -6.768150      1.091680      6.571136
  H      -6.572228      2.015132      5.062273
  H      -6.472122      4.109759      6.808431
  H      -7.416689      2.998670      7.811206
  H      -8.995025      4.303839      6.524854
  H      -9.013209      2.631358      5.899303
  H     -10.065229      5.613424      4.007214
  H     -11.770452      5.058732      2.271298
  H     -10.528899      1.072259      0.349510
  H      -8.585101     -0.511887      0.708103
  H      -6.900655      0.026670      2.468525
  N      -4.418240      2.609944      3.388271
  H      -4.871304      2.815105      2.494019
100
Coordinates from ORCA-job orca E -6429.505902472508
  N      -2.864810      0.446261      4.715208
  Mo     -3.622056      2.299283      4.943536
  N      -4.945063      2.075469      6.382789
  C      -4.512099      1.910488      7.766723
  C      -3.141423      1.243895      7.803320
  N      -2.234578      1.909191      6.844171
  C      -1.144596      1.037166      6.366752
  C      -1.660755     -0.013118      5.374772
  C      -1.699257      3.200587      7.334245
  C      -1.611235      4.137523      6.125331
  N      -2.872208      4.134879      5.412628
  H      -0.839973     -0.221954      4.658998
  H      -1.860134     -0.975895      5.890908
  H      -0.419948      1.690213      5.861188
  H      -0.622351      0.560507      7.217982
  H      -1.345989      5.157694      6.458857
  H      -0.790750      3.795992      5.467312
  H      -2.397791      3.611346      8.076468
  H      -0.722643      3.050528      7.830713
  H      -5.230496      1.274207      8.318020
  H      -4.485349      2.882954      8.298053
  H      -3.238702      0.195526      7.488478
  H      -2.720224      1.260719      8.826815
  C      -3.749803     -0.614546      4.260465
  C      -3.224684     -1.414277      3.059383
  C      -3.173891     -0.603007      1.782034
  O      -4.555253     -0.427499      1.324568
  C      -4.740856      0.061294      0.073491
  C      -5.588577     -0.625947     -0.780683
  C      -5.842487     -0.121056     -2.072408
  N      -5.329959      0.999287     -2.560834
  C      -4.516093      1.710195     -1.724827
  C      -3.998101      2.953507     -2.163883
  C      -3.241662      3.713545     -1.299875
  C      -2.987843      3.219761      0.000635
  N      -3.416371      2.051437      0.441679
  C      -4.184242      1.298749     -0.390343
  C      -3.714005      5.300017      5.655219
  C      -4.788354      5.525950      4.591924
  C      -4.183478      5.826993      3.225080
  O      -4.952274      5.265548      2.135821
  C      -6.174815      5.743593      1.870136
  C      -6.725819      6.920590      2.358251
  C      -7.999886      7.319245      1.900356
  N      -8.736960      6.670083      1.011428
  C      -8.224615      5.488396      0.550473
  C      -8.969828      4.721951     -0.378702
  C      -8.484459      3.499446     -0.786851
  C      -7.259263      3.037952     -0.256295
  N      -6.511405      3.730778      0.587792
  C      -6.969384      4.950850      0.974189
  C      -6.384712      2.064214      6.178774
  C      -7.128515      3.270753      6.785112
  C      -8.404219      3.569719      6.024023
  O      -8.062800      4.048836      4.696094
  C      -9.002069      3.764388      3.744668
  C     -10.032640      4.643813      3.472717
  C     -10.983722      4.308673      2.485640
  N     -10.963081      3.195096      1.766780
  C      -9.920819      2.340029      1.985954
  C      -9.798101      1.176580      1.188319
  C      -8.717735      0.338236      1.378899
  C      -7.763025      0.661871      2.368800
  N      -7.843698      1.729811      3.151208
  C      -8.900055      2.568885      2.968088
  H      -3.933815     -1.313552      5.104329
  H      -4.726923     -0.181452      4.000135
  H      -2.210312     -1.789422      3.272020
  H      -3.862192     -2.300226      2.901836
  H      -2.626726     -1.137526      0.989046
  H      -2.723533      0.384417      1.942276
  H      -6.044571     -1.559915     -0.449939
  H      -6.502694     -0.684939     -2.739995
  H      -4.240198      3.284858     -3.175076
  H      -2.846019      4.685637     -1.597713
  H      -2.404021      3.818891      0.706726
  H      -3.067332      6.197989      5.717121
  H      -4.234996      5.232918      6.637110
  H      -5.454340      6.332271      4.932750
  H      -5.405223      4.621758      4.493340
  H      -3.218428      5.312632      3.135946
  H      -4.032402      6.906138      3.052902
  H      -6.192590      7.547193      3.071342
  H      -8.422543      8.251993      2.290123
  H      -9.928752      5.111995     -0.722651
  H      -9.048600      2.865317     -1.472480
  H      -6.885798      2.049102     -0.529111
  H      -6.802500      1.135185      6.619581
  H      -6.587910      2.031821      5.099673
  H      -6.477184      4.158843      6.787895
  H      -7.409589      3.080303      7.834571
  H      -9.006140      4.345705      6.527676
  H      -9.023633      2.661128      5.933466
  H     -10.092670      5.595921      4.001256
  H     -11.802124      5.006153      2.280817
  H     -10.545159      1.000596      0.412531
  H      -8.576063     -0.552800      0.765651
  H      -6.879058      0.026518      2.502645
  N      -4.448140      2.596011      3.408420
  H      -4.894670      2.807474      2.512703
100
Coordinates from ORCA-job orca E -6429.507759948304
  N      -2.862197      0.436123      4.738280
  Mo     -3.636075      2.277739      4.965080
  N      -4.953346      2.071577      6.414177
  C      -4.524183      1.919115      7.799913
  C      -3.155769      1.247634      7.839993
  N      -2.249085      1.900619      6.873620
  C      -1.161116      1.022325      6.405015
  C      -1.678541     -0.035014      5.424347
  C      -1.714241      3.198402      7.341989
  C      -1.602810      4.109302      6.116841
  N      -2.855640      4.112329      5.389188
  H      -0.849949     -0.271428      4.726378
  H      -1.903514     -0.985580      5.952502
  H      -0.432043      1.666769      5.895584
  H      -0.641271      0.548871      7.259381
  H      -1.324881      5.130872      6.434234
  H      -0.781928      3.745914      5.471385
  H      -2.420081      3.628120      8.066118
  H      -0.744782      3.056620      7.855036
  H      -5.244113      1.291937      8.358737
  H      -4.492180      2.896145      8.322266
  H      -3.261142      0.198701      7.530239
  H      -2.732302      1.265622      8.862355
  C      -3.730918     -0.623468      4.246246
  C      -3.176884     -1.391515      3.036528
  C      -3.137036     -0.557123      1.774233
  O      -4.521727     -0.420414      1.313263
  C      -4.733681      0.088714      0.075971
  C      -5.610175     -0.585339     -0.761831
  C      -5.898785     -0.066723     -2.040061
  N      -5.399440      1.059630     -2.529165
  C      -4.563016      1.760308     -1.706235
  C      -4.063650      3.011592     -2.142831
  C      -3.282445      3.762319     -1.291996
  C      -2.984588      3.248721     -0.008806
  N      -3.396103      2.073136      0.428597
  C      -4.188589      1.329858     -0.388997
  C      -3.683745      5.288701      5.624347
  C      -4.761989      5.516631      4.566660
  C      -4.161932      5.789085      3.191790
  O      -4.945392      5.226668      2.114710
  C      -6.161012      5.721331      1.849539
  C      -6.693489      6.908686      2.333070
  C      -7.963348      7.323244      1.878107
  N      -8.713397      6.679281      0.996822
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  C      -8.976910      4.733283     -0.387649
  C      -8.506629      3.507006     -0.800415
  C      -7.282230      3.033448     -0.278669
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  C      -6.967154      4.938519      0.955961
  C      -6.392777      2.067124      6.203835
  C      -7.131452      3.288391      6.784623
  C      -8.408941      3.571579      6.021125
  O      -8.064583      4.030868      4.686603
  C      -9.001310      3.740178      3.734206
  C     -10.029830      4.618959      3.452333
  C     -10.977042      4.279562      2.463155
  N     -10.953723      3.162132      1.750861
  C      -9.913433      2.307813      1.979299
  C      -9.789630      1.139708      1.189136
  C      -8.709689      0.303397      1.385177
  C      -7.756717      0.632647      2.375518
  N      -7.840674      1.702297      3.153956
  C      -8.896069      2.541022      2.963921
  H      -3.922204     -1.343014      5.070100
  H      -4.707614     -0.195508      3.977336
  H      -2.155188     -1.744428      3.251930
  H      -3.789176     -2.290634      2.858577
  H      -2.571210     -1.061384      0.974821
  H      -2.715902      0.438996      1.955077
  H      -6.059105     -1.521128     -0.427852
  H      -6.578647     -0.621396     -2.694748
  H      -4.338550      3.355449     -3.140973
  H      -2.898605      4.739306     -1.587971
  H      -2.378934      3.837753      0.687078
  H      -3.027298      6.180669      5.666242
  H      -4.194926      5.242425      6.611880
  H      -5.410616      6.339080      4.901390
  H      -5.394234      4.620857      4.486744
  H      -3.205718      5.258029      3.105093
  H      -3.996274      6.863112      3.003821
  H      -6.149408      7.531215      3.040991
  H      -8.371020      8.263881      2.263199
  H      -9.932450      5.134923     -0.726395
  H      -9.079847      2.881100     -1.485465
  H      -6.919636      2.042446     -0.557170
  H      -6.824419      1.148509      6.652246
  H      -6.587164      2.022689      5.123482
  H      -6.479721      4.175770      6.754751
  H      -7.401053      3.127830      7.841601
  H      -9.012000      4.354665      6.511768
  H      -9.026194      2.660439      5.942756
  H     -10.090703      5.573277      3.976009
  H     -11.794162      4.975366      2.250538
  H     -10.538033      0.957158      0.416711
  H      -8.567902     -0.590910      0.777291
  H      -6.872565      0.000386      2.514000
  N      -4.463582      2.561969      3.430461
  H      -4.902477      2.777297      2.531805
100
Coordinates from ORCA-job orca E -6429.509370468195
  N      -2.863337      0.434785      4.757404
  Mo     -3.644315      2.266765      4.984045
  N      -4.962084      2.072836      6.434082
  C      -4.539013      1.926966      7.822923
  C      -3.173265      1.249495      7.868881
  N      -2.264631      1.892955      6.898083
  C      -1.178108      1.007630      6.439900
  C      -1.701726     -0.053990      5.469894
  C      -1.729021      3.193365      7.354961
  C      -1.591512      4.085657      6.119958
  N      -2.837177      4.096088      5.376975
  H      -0.868982     -0.322067      4.788861
  H      -1.957523     -0.989445      6.010920
  H      -0.443248      1.642844      5.927744
  H      -0.663565      0.535538      7.298323
  H      -1.302952      5.106771      6.428441
  H      -0.769793      3.705764      5.485580
  H      -2.444633      3.639134      8.059582
  H      -0.768856      3.056170      7.887071
  H      -5.262502      1.306854      8.384475
  H      -4.503256      2.906890      8.339645
  H      -3.287219      0.200433      7.562264
  H      -2.748955      1.266807      8.890668
  C      -3.714495     -0.623909      4.227657
  C      -3.127846     -1.364317      3.015278
  C      -3.100229     -0.516157      1.761581
  O      -4.483042     -0.432217      1.285433
  C      -4.711837      0.074163      0.050799
  C      -5.585688     -0.616036     -0.778262
  C      -5.884755     -0.111502     -2.058657
  N      -5.399834      1.017054     -2.558678
  C      -4.570400      1.734217     -1.743379
  C      -4.088067      2.988081     -2.191648
  C      -3.312091      3.754866     -1.350586
  C      -3.000863      3.254141     -0.065586
  N      -3.397171      2.077249      0.383313
  C      -4.184726      1.318070     -0.424836
  C      -3.654204      5.281177      5.615618
  C      -4.741467      5.517533      4.568995
  C      -4.150841      5.778396      3.187318
  O      -4.949171      5.222611      2.119457
  C      -6.160401      5.730739      1.858770
  C      -6.680655      6.921545      2.347183
  C      -7.949564      7.346782      1.900026
  N      -8.709437      6.710114      1.021974
  C      -8.224396      5.520251      0.554552
  C      -8.992877      4.773227     -0.370766
  C      -8.530998      3.547404     -0.794380
  C      -7.305236      3.065067     -0.283661
  N      -6.538180      3.737268      0.559466
  C      -6.974960      4.958969      0.963607
  C      -6.401454      2.075423      6.220059
  C      -7.133158      3.308925      6.784201
  C      -8.416152      3.580198      6.024678
  O      -8.075940      4.025992      4.684873
  C      -9.014882      3.729649      3.735637
  C     -10.050366      4.600994      3.456068
  C     -10.996081      4.255310      2.467888
  N     -10.964362      3.138651      1.754552
  C      -9.918221      2.291769      1.981313
  C      -9.786992      1.124638      1.190333
  C      -8.700842      0.296387      1.383867
  C      -7.749251      0.631959      2.373597
  N      -7.840585      1.699853      3.153763
  C      -8.901703      2.531625      2.964989
  H      -3.912046     -1.361311      5.033713
  H      -4.689552     -0.201510      3.946387
  H      -2.099519     -1.690784      3.239914
  H      -3.712930     -2.277549      2.819630
  H      -2.506893     -0.991907      0.964473
  H      -2.716169      0.492289      1.956149
  H      -6.020240     -1.555241     -0.434859
  H      -6.558434     -0.679605     -2.708150
  H      -4.371744      3.320492     -3.191256
  H      -2.942106      4.734248     -1.656050
  H      -2.397990      3.854267      0.623019
  H      -2.989793      6.168053      5.642747
  H      -4.151302      5.244691      6.610421
  H      -5.374329      6.351291      4.905859
  H      -5.386125      4.629214      4.500238
  H      -3.200972      5.237081      3.094782
  H      -3.975874      6.850538      2.996546
  H      -6.128618      7.538024      3.054292
  H      -8.348955      8.289717      2.288292
  H      -9.948078      5.182561     -0.701290
  H      -9.110779      2.929167     -1.480647
  H      -6.948503      2.073802     -0.571926
  H      -6.843600      1.165579      6.675713
  H      -6.591254      2.023012      5.139331
  H      -6.480728      4.194368      6.722262
  H      -7.388032      3.172794      7.847807
  H      -9.018364      4.366888      6.510395
  H      -9.031005      2.666430      5.956770
  H     -10.117169      5.554081      3.981378
  H     -11.819126      4.944090      2.254896
  H     -10.537025      0.935305      0.421056
  H      -8.554795     -0.597021      0.775375
  H      -6.860172      0.007183      2.511337
  N      -4.474059      2.547541      3.449231
  H      -4.903462      2.773951      2.548570
100
Coordinates from ORCA-job orca E -6429.510748945071
  N      -2.871385      0.416576      4.780913
  Mo     -3.651924      2.244253      4.997972
  N      -4.971134      2.079289      6.449776
  C      -4.552667      1.949482      7.842298
  C      -3.192743      1.260619      7.899509
  N      -2.279557      1.882514      6.918715
  C      -1.198366      0.982170      6.475762
  C      -1.733101     -0.087512      5.522778
  C      -1.736857      3.186949      7.354645
  C      -1.571204      4.049777      6.102508
  N      -2.810366      4.066982      5.345102
  H      -0.898716     -0.393939      4.860467
  H      -2.022943     -1.002380      6.081899
  H      -0.457164      1.603137      5.955330
  H      -0.689315      0.517123      7.341520
  H      -1.267729      5.072037      6.392809
  H      -0.750766      3.644148      5.483083
  H      -2.459948      3.656955      8.035765
  H      -0.787064      3.053504      7.906789
  H      -5.282572      1.343351      8.410845
  H      -4.509929      2.936153      8.345678
  H      -3.318489      0.208916      7.605752
  H      -2.766827      1.285630      8.920456
  C      -3.706534     -0.637336      4.212275
  C      -3.093394     -1.343844      2.992614
  C      -3.071747     -0.469364      1.755928
  O      -4.450697     -0.405669      1.268183
  C      -4.690382      0.119412      0.043773
  C      -5.580877     -0.557320     -0.779701
  C      -5.890631     -0.042334     -2.052134
  N      -5.402191      1.085831     -2.551100
  C      -4.558890      1.791299     -1.740739
  C      -4.074107      3.045410     -2.186835
  C      -3.283672      3.802654     -1.351272
  C      -2.959959      3.292777     -0.073335
  N      -3.359193      2.115467      0.374336
  C      -4.160479      1.364319     -0.428962
  C      -3.612505      5.266511      5.574242
  C      -4.709259      5.502292      4.536372
  C      -4.129972      5.736364      3.144137
  O      -4.945949      5.177581      2.091942
  C      -6.154270      5.696453      1.837226
  C      -6.661348      6.891507      2.329128
  C      -7.933009      7.323373      1.896534
  N      -8.707740      6.688912      1.029648
  C      -8.234064      5.496437      0.556409
  C      -9.017564      4.752468     -0.359237
  C      -8.565144      3.525491     -0.790717
  C      -7.333861      3.038592     -0.297603
  N      -6.553832      3.707396      0.536838
  C      -6.981991      4.929722      0.949300
  C      -6.410676      2.092626      6.233585
  C      -7.128697      3.344632      6.774544
  C      -8.419895      3.603341      6.023186
  O      -8.090120      4.026811      4.673848
  C      -9.037735      3.719220      3.736617
  C     -10.083827      4.580260      3.464004
  C     -11.035590      4.222071      2.486263
  N     -11.000477      3.102508      1.776908
  C      -9.945341      2.265323      1.997667
  C      -9.812279      1.094119      1.212064
  C      -8.717284      0.275829      1.399698
  C      -7.759976      0.624243      2.379374
  N      -7.853180      1.695266      3.155718
  C      -8.921870      2.518305      2.971061
  H      -3.912026     -1.393494      4.998400
  H      -4.678607     -0.214516      3.922523
  H      -2.061321     -1.654710      3.221848
  H      -3.659751     -2.263654      2.772434
  H      -2.459376     -0.914396      0.955180
  H      -2.711442      0.542748      1.974258
  H      -6.017738     -1.496112     -0.436963
  H      -6.575597     -0.601121     -2.698559
  H      -4.368061      3.385627     -3.181218
  H      -2.911807      4.781961     -1.655907
  H      -2.343904      3.884636      0.611162
  H      -2.936854      6.145708      5.578827
  H      -4.096171      5.251354      6.576328
  H      -5.324946      6.351347      4.867551
  H      -5.368130      4.623210      4.487689
  H      -3.187337      5.183085      3.049291
  H      -3.944369      6.804441      2.939427
  H      -6.097937      7.505194      3.030174
  H      -8.323263      8.269261      2.288290
  H      -9.975768      5.166083     -0.676806
  H      -9.155363      2.910523     -1.471278
  H      -6.983577      2.046876     -0.594501
  H      -6.863721      1.196351      6.705370
  H      -6.599786      2.023599      5.153748
  H      -6.472834      4.224341      6.674749
  H      -7.366830      3.240120      7.845555
  H      -9.017275      4.397707      6.502598
  H      -9.035353      2.688576      5.974484
  H     -10.154055      5.534804      3.986919
  H     -11.867375      4.902313      2.277315
  H     -10.569624      0.892772      0.452517
  H      -8.570566     -0.620473      0.795017
  H      -6.865022      0.006581      2.513792
  N      -4.486232      2.513900      3.462217
  H      -4.905840      2.746801      2.558907
100
Coordinates from ORCA-job orca E -6429.511964592066
  N      -2.866160      0.406464      4.804905
  Mo     -3.653520      2.227135      5.017845
  N      -4.980610      2.077598      6.462860
  C      -4.571155      1.958594      7.859661
  C      -3.214496      1.264967      7.930914
  N      -2.295611      1.874375      6.947153
  C      -1.213888      0.966572      6.519535
  C      -1.752510     -0.108759      5.578495
  C      -1.752898      3.182227      7.372686
  C      -1.559499      4.023230      6.110066
  N      -2.790005      4.044765      5.336372
  H      -0.915136     -0.448880      4.937351
  H      -2.076068     -1.003535      6.151430
  H      -0.468908      1.579309      5.995012
  H      -0.710933      0.508790      7.392497
  H      -1.247448      5.046133      6.388739
  H      -0.737315      3.599192      5.506437
  H      -2.487920      3.668440      8.029096
  H      -0.815997      3.052854      7.947383
  H      -5.307340      1.359995      8.428044
  H      -4.528830      2.949384      8.354521
  H      -3.344544      0.211304      7.645757
  H      -2.791405      1.296738      8.952626
  C      -3.673035     -0.648925      4.195124
  C      -3.021495     -1.310645      2.971090
  C      -3.029036     -0.413660      1.750005
  O      -4.404710     -0.407194      1.252787
  C      -4.668075      0.111650      0.031628
  C      -5.557962     -0.584693     -0.776475
  C      -5.890605     -0.084673     -2.048019
  N      -5.427108      1.048181     -2.560761
  C      -4.587040      1.772918     -1.765283
  C      -4.128456      3.031665     -2.226341
  C      -3.339409      3.807595     -1.407370
  C      -2.991102      3.313335     -0.130083
  N      -3.366435      2.133589      0.332544
  C      -4.164441      1.362406     -0.455336
  C      -3.584812      5.251218      5.564184
  C      -4.686586      5.488034      4.532582
  C      -4.113310      5.713313      3.135565
  O      -4.939827      5.160021      2.089313
  C      -6.143505      5.692665      1.839466
  C      -6.636601      6.889504      2.340690
  C      -7.907715      7.334292      1.920043
  N      -8.695039      6.710632      1.056807
  C      -8.233286      5.518360      0.570990
  C      -9.028779      4.786853     -0.344481
  C      -8.585795      3.562376     -0.792518
  C      -7.352120      3.064933     -0.316404
  N      -6.562167      3.721003      0.518857
  C      -6.981642      4.940354      0.948458
  C      -6.419491      2.100295      6.240946
  C      -7.126196      3.365600      6.764468
  C      -8.422572      3.615379      6.018432
  O      -8.096395      4.022855      4.663882
  C      -9.048852      3.712254      3.732354
  C     -10.102457      4.567126      3.468523
  C     -11.054216      4.207337      2.491839
  N     -11.013669      3.091593      1.776218
  C      -9.953708      2.259070      1.991175
  C      -9.817752      1.089698      1.203077
  C      -8.718877      0.275094      1.387240
  C      -7.762142      0.624396      2.366511
  N      -7.857536      1.693801      3.145446
  C      -8.928969      2.514029      2.963061
  H      -3.876116     -1.425603      4.960763
  H      -4.647160     -0.237820      3.896820
  H      -1.979943     -1.584082      3.203893
  H      -3.549499     -2.247864      2.729508
  H      -2.389017     -0.814774      0.947654
  H      -2.717730      0.610093      1.987500
  H      -5.974348     -1.528226     -0.421508
  H      -6.574108     -0.658663     -2.682622
  H      -4.440589      3.359624     -3.219311
  H      -2.987220      4.790182     -1.724722
  H      -2.374277      3.919608      0.540934
  H      -2.903356      6.125963      5.558303
  H      -4.059854      5.244407      6.570377
  H      -5.292301      6.344203      4.863588
  H      -5.353171      4.615089      4.491224
  H      -3.175040      5.153527      3.036314
  H      -3.920764      6.779984      2.929573
  H      -6.063397      7.493903      3.041789
  H      -8.287707      8.280741      2.320458
  H      -9.987239      5.208878     -0.650077
  H      -9.184059      2.957893     -1.475569
  H      -7.009293      2.075954     -0.628871
  H      -6.881939      1.214194      6.722639
  H      -6.605825      2.020888      5.161591
  H      -6.467701      4.239493      6.635856
  H      -7.351876      3.285591      7.840152
  H      -9.017488      4.414283      6.493445
  H      -9.037854      2.699971      5.981833
  H     -10.178066      5.518204      3.996965
  H     -11.891291      4.882725      2.288145
  H     -10.577316      0.885073      0.446624
  H      -8.570739     -0.620068      0.781292
  H      -6.865970      0.007850      2.500311
  N      -4.491636      2.490184      3.482165
  H      -4.899820      2.734200      2.576835
100
Coordinates from ORCA-job orca E -6429.513041008035
  N      -2.865083      0.386849      4.827253
  Mo     -3.655276      2.205326      5.033712
  N      -4.989297      2.078194      6.473379
  C      -4.586432      1.975361      7.873878
  C      -3.234662      1.275127      7.960611
  N      -2.309482      1.865490      6.970683
  C      -1.231106      0.945486      6.558901
  C      -1.776673     -0.136337      5.632816
  C      -1.761352      3.176439      7.380912
  C      -1.545402      3.993122      6.105928
  N      -2.769950      4.018517      5.321902
  H      -0.938165     -0.512379      5.013978
  H      -2.134248     -1.008546      6.220228
  H      -0.482234      1.546722      6.026802
  H      -0.733455      0.497368      7.439687
  H      -1.222082      5.016627      6.369195
  H      -0.724755      3.547799      5.516372
  H      -2.503376      3.680418      8.015501
  H      -0.835323      3.049085      7.973256
  H      -5.329388      1.387843      8.445116
  H      -4.542392      2.972177      8.356016
  H      -3.369809      0.218248      7.690351
  H      -2.813636      1.319292      8.982630
  C      -3.642638     -0.668882      4.177707
  C      -2.957802     -1.279270      2.945861
  C      -2.994214     -0.354808      1.745435
  O      -4.366300     -0.390339      1.241828
  C      -4.648141      0.131535      0.027080
  C      -5.547101     -0.567372     -0.769047
  C      -5.897707     -0.069734     -2.036106
  N      -5.442378      1.063046     -2.556812
  C      -4.593629      1.789966     -1.773226
  C      -4.140809      3.047604     -2.243329
  C      -3.341460      3.825817     -1.436964
  C      -2.977291      3.335917     -0.162656
  N      -3.347568      2.158065      0.309050
  C      -4.154267      1.383847     -0.466915
  C      -3.556443      5.233427      5.543464
  C      -4.664195      5.468842      4.518599
  C      -4.101031      5.678449      3.114691
  O      -4.941910      5.126432      2.078929
  C      -6.140698      5.673242      1.832880
  C      -6.617140      6.876401      2.334997
  C      -7.886949      7.333899      1.924030
  N      -8.688223      6.717392      1.068694
  C      -8.241107      5.521090      0.578671
  C      -9.049672      4.798111     -0.332207
  C      -8.619313      3.572029     -0.788135
  C      -7.385238      3.063817     -0.324719
  N      -6.584377      3.710851      0.507086
  C      -6.991603      4.931044      0.945118
  C      -6.427687      2.111563      6.247791
  C      -7.119714      3.392843      6.750119
  C      -8.421774      3.635509      6.010990
  O      -8.102408      4.020719      4.648546
  C      -9.062826      3.703893      3.727220
  C     -10.125205      4.551444      3.473813
  C     -11.081976      4.186009      2.504547
  N     -11.039716      3.071389      1.786778
  C      -9.973445      2.244725      1.993841
  C      -9.837994      1.074640      1.206877
  C      -8.734133      0.264753      1.385553
  C      -7.773621      0.618638      2.358757
  N      -7.867420      1.689461      3.136395
  C      -8.942602      2.505744      2.958131
  H      -3.840001     -1.467386      4.921426
  H      -4.620195     -0.269554      3.875526
  H      -1.907995     -1.517869      3.178668
  H      -3.449006     -2.229803      2.679530
  H      -2.332838     -0.709737      0.938677
  H      -2.726131      0.675030      2.007527
  H      -5.955693     -1.511944     -0.407793
  H      -6.588089     -0.646068     -2.661140
  H      -4.465381      3.372785     -3.233245
  H      -2.993462      4.807482     -1.761846
  H      -2.351848      3.944750      0.497922
  H      -2.868150      6.102579      5.524915
  H      -4.023773      5.239461      6.553218
  H      -5.258979      6.333366      4.847779
  H      -5.339839      4.602601      4.488993
  H      -3.168588      5.109834      3.010961
  H      -3.899923      6.741944      2.900547
  H      -6.032480      7.475472      3.030960
  H      -8.253449      8.284677      2.326795
  H     -10.006929      5.228796     -0.629439
  H      -9.226809      2.975299     -1.469903
  H      -7.051294      2.074873     -0.646776
  H      -6.899267      1.238216      6.743745
  H      -6.613492      2.016757      5.169764
  H      -6.456765      4.258428      6.592475
  H      -7.333065      3.340178      7.830041
  H      -9.011091      4.442531      6.479347
  H      -9.040000      2.721542      5.992218
  H     -10.203730      5.501430      4.003733
  H     -11.924877      4.856390      2.308192
  H     -10.602810      0.864036      0.457404
  H      -8.586589     -0.631476      0.780982
  H      -6.876528      0.002961      2.490590
  N      -4.499163      2.458423      3.498495
  H      -4.897300      2.710154      2.590740
100
Coordinates from ORCA-job orca E -6429.513949186934
  N      -2.871867      0.360670      4.851601
  Mo     -3.662470      2.180045      5.052012
  N      -5.001185      2.079542      6.488630
  C      -4.602784      1.995476      7.892021
  C      -3.256857      1.287453      7.993658
  N      -2.326051      1.854403      6.995027
  C      -1.254695      0.918966      6.598220
  C      -1.810761     -0.169390      5.689886
  C      -1.767932      3.167310      7.386693
  C      -1.533069      3.957785      6.098555
  N      -2.753561      3.988257      5.308491
  H      -0.973119     -0.583608      5.094808
  H      -2.202664     -1.016944      6.291573
  H      -0.502083      1.505789      6.055426
  H      -0.760785      0.481175      7.486134
  H      -1.194571      4.980864      6.343943
  H      -0.717487      3.488267      5.521177
  H      -2.512669      3.690129      8.002490
  H      -0.850601      3.040349      7.992303
  H      -5.352220      1.421441      8.468585
  H      -4.554522      2.999109      8.359185
  H      -3.398428      0.226883      7.742489
  H      -2.836581      1.347206      9.015169
  C      -3.615958     -0.694213      4.160433
  C      -2.895279     -1.246995      2.922309
  C      -2.957022     -0.292056      1.746407
  O      -4.322732     -0.367561      1.229888
  C      -4.620866      0.155300      0.020178
  C      -5.513572     -0.559018     -0.769841
  C      -5.879126     -0.070936     -2.036047
  N      -5.444765      1.067555     -2.562313
  C      -4.604411      1.810227     -1.784711
  C      -4.174983      3.073577     -2.261476
  C      -3.385021      3.868344     -1.462148
  C      -3.008152      3.390331     -0.187178
  N      -3.357325      2.208787      0.291495
  C      -4.151473      1.416028     -0.478628
  C      -3.528007      5.213981      5.518263
  C      -4.636553      5.448602      4.495063
  C      -4.078974      5.634951      3.085803
  O      -4.934738      5.083709      2.061484
  C      -6.127397      5.646328      1.820228
  C      -6.586486      6.854326      2.326945
  C      -7.855394      7.325653      1.928812
  N      -8.671858      6.718133      1.081556
  C      -8.240004      5.519386      0.583591
  C      -9.063354      4.807428     -0.322654
  C      -8.646244      3.581554     -0.791102
  C      -7.410481      3.061981     -0.344950
  N      -6.597464      3.697227      0.484147
  C      -6.991828      4.916631      0.935145
  C      -6.439382      2.125852      6.261032
  C      -7.114306      3.423695      6.741547
  C      -8.420940      3.661258      6.008924
  O      -8.105998      4.019027      4.638379
  C      -9.073803      3.696680      3.727053
  C     -10.143873      4.537664      3.482764
  C     -11.104492      4.167553      2.519251
  N     -11.060155      3.054247      1.799158
  C      -9.988722      2.232452      2.000179
  C      -9.853278      1.061979      1.214153
  C      -8.745903      0.255650      1.389408
  C      -7.783221      0.612670      2.358952
  N      -7.875917      1.684630      3.135282
  C      -8.953530      2.498250      2.959013
  H      -3.806264     -1.516578      4.878794
  H      -4.597303     -0.308390      3.853523
  H      -1.838839     -1.449222      3.159096
  H      -3.345852     -2.208980      2.626758
  H      -2.273602     -0.597366      0.937956
  H      -2.732559      0.739943      2.038147
  H      -5.903490     -1.510122     -0.405060
  H      -6.563533     -0.660349     -2.655395
  H      -4.509563      3.389392     -3.251092
  H      -3.054710      4.854250     -1.792638
  H      -2.390366      4.013168      0.467619
  H      -2.830199      6.075146      5.487101
  H      -3.991878      5.237539      6.529285
  H      -5.219461      6.323886      4.817353
  H      -5.323450      4.591054      4.477576
  H      -3.154917      5.052736      2.981979
  H      -3.864547      6.693065      2.858576
  H      -5.989909      7.445879      3.019127
  H      -8.207588      8.279354      2.337375
  H     -10.020100      5.247104     -0.608197
  H      -9.264376      2.994470     -1.471728
  H      -7.085933      2.074295     -0.680056
  H      -6.921135      1.266431      6.771285
  H      -6.625600      2.015619      5.184315
  H      -6.445356      4.278778      6.555629
  H      -7.315739      3.399315      7.824807
  H      -9.003127      4.479085      6.467370
  H      -9.044253      2.750519      6.010038
  H     -10.225643      5.486457      4.014316
  H     -11.952340      4.833679      2.329626
  H     -10.621650      0.846694      0.469713
  H      -8.598195     -0.641341      0.785970
  H      -6.886106     -0.002961      2.490358
  N      -4.515516      2.422012      3.519784
  H      -4.905779      2.679529      2.610317
100
Coordinates from ORCA-job orca E -6429.514698790429
  N      -2.878893      0.338041      4.866608
  Mo     -3.669078      2.160436      5.062179
  N      -5.008405      2.081723      6.498803
  C      -4.609824      2.016823      7.903429
  C      -3.267575      1.304067      8.015898
  N      -2.335127      1.849269      7.006444
  C      -1.271899      0.899909      6.620240
  C      -1.840898     -0.195484      5.731840
  C      -1.766484      3.163391      7.379762
  C      -1.524524      3.933815      6.080871
  N      -2.745936      3.966829      5.293287
  H      -1.007132     -0.644095      5.156571
  H      -2.259678     -1.019774      6.347787
  H      -0.518571      1.472756      6.063648
  H      -0.777089      0.472591      7.512616
  H      -1.173110      4.956077      6.310930
  H      -0.716155      3.446226      5.508305
  H      -2.509754      3.700274      7.985126
  H      -0.852532      3.036787      7.990249
  H      -5.362350      1.454933      8.487774
  H      -4.557170      3.027046      8.355502
  H      -3.413812      0.239632      7.785159
  H      -2.845667      1.381145      9.035483
  C      -3.593380     -0.716990      4.144516
  C      -2.847085     -1.224653      2.901952
  C      -2.929712     -0.250560      1.743246
  O      -4.291599     -0.350263      1.221707
  C      -4.598411      0.178489      0.017693
  C      -5.501588     -0.528353     -0.767415
  C      -5.876201     -0.033335     -2.028260
  N      -5.440154      1.104769     -2.553984
  C      -4.588720      1.839522     -1.780969
  C      -4.153203      3.100488     -2.258129
  C      -3.349268      3.886439     -1.463848
  C      -2.965867      3.402233     -0.193115
  N      -3.321340      2.222868      0.285931
  C      -4.127506      1.438607     -0.479816
  C      -3.511852      5.198703      5.496776
  C      -4.623495      5.431284      4.477147
  C      -4.075264      5.602417      3.062646
  O      -4.944252      5.051328      2.048772
  C      -6.131339      5.627244      1.809881
  C      -6.573745      6.842639      2.313776
  C      -7.840897      7.325520      1.924318
  N      -8.670964      6.722757      1.087288
  C      -8.254019      5.519399      0.588228
  C      -9.090287      4.814992     -0.311923
  C      -8.685547      3.587706     -0.787270
  C      -7.449558      3.058600     -0.353253
  N      -6.626535      3.684987      0.472500
  C      -7.008124      4.905672      0.930107
  C      -6.446862      2.137183      6.272864
  C      -7.106597      3.449919      6.731346
  C      -8.417807      3.683487      6.005210
  O      -8.110239      4.010860      4.625509
  C      -9.087265      3.682947      3.725855
  C     -10.164605      4.518196      3.492590
  C     -11.130917      4.144596      2.536408
  N     -11.086867      3.032709      1.814117
  C     -10.011193      2.214594      2.007195
  C      -9.879457      1.043030      1.222460
  C      -8.770326      0.237952      1.392865
  C      -7.803086      0.596807      2.356841
  N      -7.891027      1.670893      3.130870
  C      -8.969675      2.484083      2.958384
  H      -3.774005     -1.558751      4.841904
  H      -4.579083     -0.344268      3.835814
  H      -1.785961     -1.396803      3.141942
  H      -3.264890     -2.194843      2.586410
  H      -2.234735     -0.521631      0.932742
  H      -2.733378      0.781366      2.055636
  H      -5.892897     -1.479085     -0.403365
  H      -6.569828     -0.616577     -2.642965
  H      -4.493515      3.421450     -3.244025
  H      -3.013025      4.870073     -1.794861
  H      -2.337228      4.018655      0.457193
  H      -2.808625      6.055019      5.455798
  H      -3.971681      5.233962      6.509172
  H      -5.199247      6.312178      4.796635
  H      -5.316266      4.578355      4.469635
  H      -3.157394      5.010868      2.955747
  H      -3.852761      6.656459      2.824784
  H      -5.966080      7.431020      2.998745
  H      -8.179268      8.284129      2.332752
  H     -10.045552      5.262531     -0.589837
  H      -9.312493      3.008057     -1.466042
  H      -7.132445      2.071467     -0.697237
  H      -6.935781      1.291352      6.798590
  H      -6.635450      2.010575      5.198507
  H      -6.432005      4.294155      6.519043
  H      -7.296772      3.452214      7.816859
  H      -8.990285      4.514250      6.452280
  H      -9.048153      2.777881      6.029274
  H     -10.247978      5.465673      4.026063
  H     -11.983241      4.807164      2.354998
  H     -10.652949      0.824330      0.484482
  H      -8.625383     -0.660495      0.790991
  H      -6.907347     -0.020721      2.487332
  N      -4.534140      2.391988      3.534419
  H      -4.921489      2.651952      2.624551
100
Coordinates from ORCA-job orca E -6429.515323943508
  N      -2.895604      0.311032      4.884981
  Mo     -3.683510      2.137187      5.077426
  N      -5.020653      2.084078      6.516794
  C      -4.620249      2.039893      7.921853
  C      -3.283099      1.319014      8.044024
  N      -2.349527      1.838474      7.021986
  C      -1.297959      0.872142      6.645492
  C      -1.884129     -0.228688      5.778102
  C      -1.765910      3.152223      7.373892
  C      -1.517611      3.900004      6.063084
  N      -2.741060      3.939185      5.278960
  H      -1.056359     -0.713774      5.223957
  H      -2.331551     -1.027667      6.407512
  H      -0.543253      1.428155      6.073711
  H      -0.801249      0.453659      7.541055
  H      -1.148852      4.919869      6.276215
  H      -0.719434      3.391392      5.494334
  H      -2.503875      3.705889      7.970754
  H      -0.853458      3.024922      7.986503
  H      -5.376078      1.493730      8.516598
  H      -4.558703      3.057124      8.356793
  H      -3.437644      0.251269      7.835134
  H      -2.857760      1.413259      9.060667
  C      -3.574438     -0.741624      4.125429
  C      -2.795000     -1.200503      2.883373
  C      -2.892794     -0.207330      1.742538
  O      -4.247265     -0.335143      1.208386
  C      -4.565372      0.196920      0.009232
  C      -5.461548     -0.519683     -0.775579
  C      -5.847283     -0.025944     -2.033356
  N      -5.429523      1.120208     -2.556531
  C      -4.586441      1.864476     -1.783468
  C      -4.170809      3.132857     -2.258397
  C      -3.375207      3.928105     -1.464802
  C      -2.981508      3.446020     -0.196391
  N      -3.319392      2.260709      0.280887
  C      -4.115063      1.465912     -0.485129
  C      -3.492288      5.181416      5.471725
  C      -4.604864      5.415796      4.453627
  C      -4.063662      5.561455      3.034026
  O      -4.948804      5.011279      2.033303
  C      -6.128583      5.603048      1.796618
  C      -6.552876      6.825428      2.299407
  C      -7.817634      7.321743      1.919436
  N      -8.661683      6.725765      1.091694
  C      -8.260607      5.518497      0.589371
  C      -9.110250      4.824084     -0.305889
  C      -8.718999      3.595911     -0.790266
  C      -7.483211      3.055535     -0.369354
  N      -6.649698      3.670884      0.454171
  C      -7.017842      4.892208      0.920761
  C      -6.459376      2.153103      6.292612
  C      -7.100519      3.482593      6.728228
  C      -8.414644      3.715304      6.007163
  O      -8.110347      4.007168      4.619123
  C      -9.094578      3.674820      3.729415
  C     -10.181018      4.501525      3.506950
  C     -11.150828      4.122589      2.556403
  N     -11.102373      3.013188      1.830361
  C     -10.020191      2.201965      2.015806
  C      -9.886690      1.030765      1.230709
  C      -8.773021      0.231064      1.396136
  C      -7.803829      0.594090      2.356745
  N      -7.892641      1.668118      3.130401
  C      -8.974887      2.477189      2.961184
  H      -3.745941     -1.605503      4.797106
  H      -4.563482     -0.383991      3.809878
  H      -1.731790     -1.340896      3.135451
  H      -3.174563     -2.178311      2.543858
  H      -2.183318     -0.442837      0.933726
  H      -2.726686      0.822409      2.077309
  H      -5.837503     -1.477702     -0.414385
  H      -6.534460     -0.617376     -2.647494
  H      -4.519078      3.451459     -3.242291
  H      -3.053476      4.917082     -1.794363
  H      -2.359704      4.069909      0.453494
  H      -2.779649      6.029370      5.418415
  H      -3.948430      5.234001      6.485023
  H      -5.168543      6.307142      4.765498
  H      -5.308200      4.571565      4.459357
  H      -3.156000      4.954110      2.928145
  H      -3.826661      6.608568      2.780288
  H      -5.933806      7.408757      2.978382
  H      -8.141453      8.285000      2.328771
  H     -10.063720      5.280734     -0.575097
  H      -9.355327      3.025566     -1.468135
  H      -7.174148      2.069245     -0.723724
  H      -6.958372      1.322874      6.833248
  H      -6.650365      2.011084      5.220486
  H      -6.417882      4.313042      6.489245
  H      -7.279586      3.512774      7.815127
  H      -8.974998      4.561880      6.439584
  H      -9.054838      2.817515      6.054906
  H     -10.269307      5.446658      4.043809
  H     -12.009388      4.779125      2.382396
  H     -10.663778      0.806623      0.498151
  H      -8.626763     -0.667406      0.794497
  H      -6.906999     -0.021334      2.486846
  N      -4.560414      2.359864      3.555311
  H      -4.945087      2.621252      2.644785
100
Coordinates from ORCA-job orca E -6429.515842813637
  N      -2.903670      0.290967      4.902040
  Mo     -3.691008      2.120190      5.089926
  N      -5.029740      2.085443      6.528208
  C      -4.630544      2.061379      7.933979
  C      -3.297395      1.334662      8.068495
  N      -2.361040      1.831232      7.037778
  C      -1.319198      0.850107      6.672388
  C      -1.918776     -0.254256      5.821342
  C      -1.764840      3.143960      7.372608
  C      -1.512588      3.875672      6.053718
  N      -2.738064      3.919851      5.273046
  H      -1.096318     -0.770669      5.287889
  H      -2.393063     -1.029865      6.460366
  H      -0.561889      1.390805      6.089356
  H      -0.822953      0.438439      7.571376
  H      -1.131040      4.893142      6.255553
  H      -0.722541      3.352807      5.486456
  H      -2.497348      3.710569      7.964165
  H      -0.852668      3.015942      7.985415
  H      -5.389777      1.529669      8.537204
  H      -4.561912      3.085133      8.352164
  H      -3.458101      0.264229      7.879350
  H      -2.871600      1.445214      9.083150
  C      -3.546120     -0.759608      4.109340
  C      -2.736056     -1.171745      2.870102
  C      -2.855764     -0.165968      1.742924
  O      -4.204327     -0.324142      1.203426
  C      -4.536863      0.202723      0.006331
  C      -5.436729     -0.522130     -0.766744
  C      -5.839699     -0.034131     -2.021082
  N      -5.435192      1.113126     -2.552098
  C      -4.587090      1.864084     -1.791266
  C      -4.182317      3.132072     -2.276131
  C      -3.379163      3.932983     -1.495990
  C      -2.968365      3.457186     -0.230643
  N      -3.297010      2.273081      0.255960
  C      -4.098621      1.472030     -0.497447
  C      -3.479376      5.167718      5.460753
  C      -4.592885      5.403233      4.443663
  C      -4.057913      5.535397      3.020750
  O      -4.955559      4.989763      2.028382
  C      -6.129468      5.594711      1.796052
  C      -6.538569      6.819960      2.304367
  C      -7.802013      7.328409      1.936946
  N      -8.658869      6.741229      1.116335
  C      -8.271052      5.533953      0.604201
  C      -9.133277      4.852136     -0.288557
  C      -8.753078      3.626972     -0.788836
  C      -7.515758      3.076725     -0.385705
  N      -6.672369      3.678499      0.437875
  C      -7.029601      4.896954      0.920451
  C      -6.468328      2.163012      6.302939
  C      -7.096034      3.505474      6.718818
  C      -8.412552      3.738529      6.001867
  O      -8.112343      3.994349      4.606239
  C      -9.104619      3.660413      3.726577
  C     -10.200802      4.478615      3.519687
  C     -11.174390      4.098024      2.573829
  N     -11.121682      2.994375      1.839262
  C     -10.033043      2.189535      2.012984
  C      -9.898552      1.021528      1.223059
  C      -8.780882      0.225865      1.380151
  C      -7.808902      0.589419      2.337857
  N      -7.897782      1.660846      3.114811
  C      -8.983377      2.466874      2.952683
  H      -3.705004     -1.644203      4.756316
  H      -4.539005     -0.419526      3.787000
  H      -1.671482     -1.276914      3.134049
  H      -3.075089     -2.157690      2.511834
  H      -2.137333     -0.369545      0.933543
  H      -2.718658      0.862458      2.093982
  H      -5.803013     -1.481268     -0.398815
  H      -6.530371     -0.631398     -2.625487
  H      -4.543861      3.445303     -3.256887
  H      -3.064180      4.921302     -1.833725
  H      -2.339932      4.085270      0.408660
  H      -2.761664      6.011047      5.401095
  H      -3.933640      5.229712      6.474319
  H      -5.150449      6.299470      4.752007
  H      -5.300900      4.562990      4.456767
  H      -3.157803      4.917107      2.912933
  H      -3.811266      6.578231      2.758904
  H      -5.909417      7.396081      2.980132
  H      -8.114119      8.292912      2.352197
  H     -10.086424      5.316602     -0.545064
  H      -9.398360      3.067557     -1.467251
  H      -7.213380      2.093970     -0.755012
  H      -6.975108      1.345763      6.855680
  H      -6.659842      2.007871      5.232901
  H      -6.407040      4.324088      6.458565
  H      -7.266252      3.557945      7.806141
  H      -8.959017      4.601327      6.419525
  H      -9.063785      2.850305      6.073101
  H     -10.294231      5.418589      4.064638
  H     -12.039712      4.748312      2.410564
  H     -10.679471      0.795228      0.495331
  H      -8.634337     -0.670476      0.775500
  H      -6.910528     -0.024243      2.464704
  N      -4.571002      2.336860      3.568870
  H      -4.950690      2.598395      2.656388
100
Coordinates from ORCA-job orca E -6429.516271008683
  N      -2.918663      0.265745      4.920871
  Mo     -3.702919      2.098856      5.102264
  N      -5.039667      2.088478      6.543331
  C      -4.638356      2.088916      7.948414
  C      -3.311201      1.353139      8.094621
  N      -2.372912      1.821403      7.052665
  C      -1.344127      0.822170      6.699278
  C      -1.960001     -0.284873      5.864744
  C      -1.760765      3.132475      7.365108
  C      -1.506834      3.843629      6.035395
  N      -2.735746      3.893960      5.259898
  H      -1.144686     -0.832814      5.351883
  H      -2.461347     -1.035314      6.513120
  H      -0.582819      1.344518      6.104552
  H      -0.849209      0.417174      7.602070
  H      -1.110360      4.858342      6.222445
  H      -0.727028      3.303570      5.469939
  H      -2.483932      3.715393      7.952484
  H      -0.846822      3.003728      7.975187
  H      -5.400849      1.576561      8.564070
  H      -4.557972      3.120197      8.345599
  H      -3.481609      0.280483      7.927940
  H      -2.882586      1.481109      9.105992
  C      -3.525807     -0.779976      4.095402
  C      -2.685941     -1.143828      2.860106
  C      -2.823677     -0.124165      1.747351
  O      -4.164403     -0.307908      1.197880
  C      -4.508520      0.221088      0.005656
  C      -5.410364     -0.507796     -0.761537
  C      -5.828884     -0.018253     -2.009931
  N      -5.437503      1.133483     -2.541188
  C      -4.585888      1.887025     -1.786826
  C      -4.192809      3.158164     -2.273017
  C      -3.385019      3.961164     -1.500000
  C      -2.958557      3.484354     -0.240197
  N      -3.276962      2.297951      0.247878
  C      -4.082235      1.494158     -0.499059
  C      -3.463273      5.150379      5.437715
  C      -4.577722      5.386621      4.421195
  C      -4.048828      5.502245      2.994588
  O      -4.958951      4.961292      2.010359
  C      -6.126710      5.579186      1.781126
  C      -6.519726      6.809371      2.290478
  C      -7.782558      7.328287      1.936107
  N      -8.653458      6.746751      1.126395
  C      -8.279361      5.537670      0.608410
  C      -9.155591      4.864598     -0.277221
  C      -8.787343      3.640516     -0.788823
  C      -7.547664      3.082435     -0.403838
  N      -6.692738      3.674489      0.415097
  C      -7.038702      4.891547      0.909653
  C      -6.478224      2.175456      6.318815
  C      -7.091049      3.531732      6.712941
  C      -8.408765      3.766055      5.998679
  O      -8.111323      3.977654      4.595428
  C      -9.112366      3.642678      3.727305
  C     -10.219184      4.451148      3.538209
  C     -11.198278      4.067622      2.599262
  N     -11.142141      2.969718      1.856123
  C     -10.045603      2.172844      2.015433
  C      -9.910704      1.007821      1.220860
  C      -8.787578      0.217961      1.366804
  C      -7.810701      0.583709      2.319014
  N      -7.898997      1.652663      3.099065
  C      -8.989527      2.453903      2.946644
  H      -3.672349     -1.684709      4.716679
  H      -4.521859     -0.456479      3.766027
  H      -1.622172     -1.215668      3.138893
  H      -2.984834     -2.135139      2.481347
  H      -2.095844     -0.295649      0.939183
  H      -2.714625      0.901417      2.116138
  H      -5.766906     -1.470442     -0.393183
  H      -6.521680     -0.618166     -2.609402
  H      -4.566731      3.471566     -3.249074
  H      -3.078208      4.951673     -1.838938
  H      -2.326136      4.113812      0.393939
  H      -2.738242      5.986804      5.368605
  H      -3.915283      5.226942      6.451426
  H      -5.127815      6.288989      4.724500
  H      -5.291322      4.551196      4.443504
  H      -3.157359      4.871610      2.886418
  H      -3.790867      6.539962      2.723343
  H      -5.879315      7.381055      2.959232
  H      -8.082351      8.295763      2.353609
  H     -10.108849      5.335711     -0.521064
  H      -9.442685      3.089180     -1.464241
  H      -7.252288      2.102101     -0.785246
  H      -6.992547      1.372903      6.885820
  H      -6.672117      2.005262      5.251522
  H      -6.394733      4.337385      6.432558
  H      -7.253635      3.607059      7.800048
  H      -8.938300      4.648254      6.397106
  H      -9.073601      2.890583      6.096716
  H     -10.316949      5.386135      4.090992
  H     -12.071270      4.710688      2.448430
  H     -10.697277      0.777793      0.500362
  H      -8.641450     -0.676495      0.759232
  H      -6.909791     -0.027161      2.440725
  N      -4.584557      2.308222      3.581454
  H      -4.960843      2.565318      2.666626
100
Coordinates from ORCA-job orca E -6429.516627275067
  N      -2.926405      0.247878      4.939968
  Mo     -3.706205      2.085080      5.109407
  N      -5.044914      2.095899      6.549585
  C      -4.644475      2.120875      7.954486
  C      -3.323563      1.376820      8.115600
  N      -2.380625      1.817947      7.066027
  C      -1.363842      0.801353      6.728360
  C      -1.993353     -0.307066      5.906972
  C      -1.753796      3.126540      7.359362
  C      -1.497942      3.820426      6.021125
  N      -2.729895      3.876139      5.250552
  H      -1.184620     -0.883268      5.414990
  H      -2.520706     -1.032873      6.562606
  H      -0.595592      1.305211      6.126405
  H      -0.875006      0.402288      7.637011
  H      -1.090033      4.832737      6.196755
  H      -0.726594      3.266722      5.457257
  H      -2.467966      3.724123      7.943068
  H      -0.838338      2.996264      7.966831
  H      -5.411220      1.627735      8.580386
  H      -4.553709      3.159126      8.330800
  H      -3.502943      0.302632      7.969448
  H      -2.894815      1.520932      9.124679
  C      -3.502767     -0.794399      4.089097
  C      -2.637510     -1.122576      2.860558
  C      -2.787785     -0.095788      1.755693
  O      -4.124195     -0.296230      1.203110
  C      -4.482046      0.228905      0.013592
  C      -5.396699     -0.502363     -0.736225
  C      -5.834667     -0.017761     -1.979504
  N      -5.450363      1.130837     -2.522480
  C      -4.584175      1.885612     -1.786466
  C      -4.194836      3.152319     -2.287182
  C      -3.370608      3.956718     -1.533613
  C      -2.924852      3.486108     -0.278213
  N      -3.240072      2.304340      0.223378
  C      -4.060206      1.498274     -0.505008
  C      -3.447331      5.138196      5.423131
  C      -4.564810      5.373787      4.409433
  C      -4.042983      5.480427      2.979685
  O      -4.965627      4.948135      2.002076
  C      -6.130313      5.576030      1.784903
  C      -6.510583      6.804393      2.308236
  C      -7.774866      7.332785      1.974048
  N      -8.659254      6.761709      1.171558
  C      -8.295766      5.557277      0.635449
  C      -9.185091      4.898374     -0.247714
  C      -8.825067      3.682376     -0.783738
  C      -7.579969      3.118096     -0.425959
  N      -6.714588      3.695224      0.392834
  C      -7.053294      4.903857      0.912757
  C      -6.483140      2.185397      6.322999
  C      -7.088830      3.551059      6.697470
  C      -8.408141      3.783132      5.985238
  O      -8.114407      3.949509      4.575478
  C      -9.124391      3.616094      3.718503
  C     -10.244529      4.411993      3.554446
  C     -11.228965      4.028655      2.621168
  N     -11.167682      2.941631      1.862456
  C     -10.061338      2.154750      2.001356
  C      -9.924692      0.997383      1.195820
  C      -8.795107      0.214301      1.326003
  C      -7.813198      0.578898      2.273666
  N      -7.901300      1.641899      3.061577
  C      -8.998305      2.436867      2.924050
  H      -3.640375     -1.712881      4.691715
  H      -4.500434     -0.485253      3.751197
  H      -1.576306     -1.167244      3.154493
  H      -2.904070     -2.117741      2.468052
  H      -2.055382     -0.247638      0.947976
  H      -2.696369      0.928026      2.133961
  H      -5.749287     -1.462322     -0.357284
  H      -6.538572     -0.618840     -2.564725
  H      -4.584523      3.460870     -3.258584
  H      -3.065778      4.943805     -1.884091
  H      -2.279070      4.116628      0.341276
  H      -2.717806      5.970036      5.346474
  H      -3.896121      5.224531      6.437615
  H      -5.110659      6.279288      4.710786
  H      -5.280370      4.540066      4.438590
  H      -3.159196      4.839792      2.866991
  H      -3.775892      6.514895      2.704926
  H      -5.859727      7.366927      2.974604
  H      -8.065307      8.297745      2.403774
  H     -10.140584      5.374673     -0.471966
  H      -9.489789      3.142967     -1.459602
  H      -7.288527      2.145687     -0.830339
  H      -7.001438      1.394173      6.902104
  H      -6.677000      2.000786      5.258234
  H      -6.388968      4.348196      6.402028
  H      -7.246649      3.644122      7.783842
  H      -8.921991      4.683238      6.363486
  H      -9.084458      2.920111      6.110285
  H     -10.349082      5.337331      4.121983
  H     -12.111655      4.662366      2.488226
  H     -10.716699      0.766369      0.481613
  H      -8.648847     -0.675097      0.711077
  H      -6.909308     -0.028828      2.386713
  N      -4.582469      2.289168      3.585176
  H      -4.955227      2.540436      2.667543
100
Coordinates from ORCA-job orca E -6429.516957714483
  N      -2.934634      0.228465      4.959641
  Mo     -3.710973      2.068559      5.114590
  N      -5.047306      2.102419      6.558281
  C      -4.643482      2.153689      7.961257
  C      -3.328554      1.402003      8.134065
  N      -2.383918      1.816346      7.075064
  C      -1.378426      0.783942      6.752297
  C      -2.020544     -0.327123      5.944579
  C      -1.743990      3.123361      7.346148
  C      -1.490257      3.797273      5.997399
  N      -2.726580      3.855609      5.233834
  H      -1.218366     -0.926684      5.470170
  H      -2.567492     -1.030650      6.608375
  H      -0.604256      1.270083      6.143070
  H      -0.894648      0.391938      7.666657
  H      -1.072128      4.808012      6.158315
  H      -0.727914      3.229161      5.435620
  H      -2.448214      3.735670      7.926728
  H      -0.825350      2.993541      7.948956
  H      -5.412512      1.680776      8.599838
  H      -4.541245      3.198701      8.315499
  H      -3.516977      0.326753      8.008311
  H      -2.896948      1.561827      9.139571
  C      -3.486435     -0.811455      4.090087
  C      -2.600939     -1.112517      2.868329
  C      -2.759156     -0.080967      1.768639
  O      -4.091139     -0.293620      1.211672
  C      -4.460519      0.236617      0.028910
  C      -5.385081     -0.491584     -0.712058
  C      -5.838521     -0.002512     -1.947742
  N      -5.460506      1.147864     -2.491688
  C      -4.583534      1.898881     -1.764723
  C      -4.198411      3.166240     -2.267290
  C      -3.362110      3.966822     -1.523196
  C      -2.900359      3.491893     -0.275175
  N      -3.211508      2.309563      0.228047
  C      -4.043219      1.507029     -0.491231
  C      -3.434470      5.123354      5.398607
  C      -4.555758      5.355861      4.388105
  C      -4.040705      5.454699      2.955130
  O      -4.973990      4.933068      1.981125
  C      -6.134325      5.572215      1.773451
  C      -6.500529      6.800656      2.306938
  C      -7.765747      7.338402      1.992012
  N      -8.664047      6.776564      1.198407
  C      -8.312101      5.575514      0.646983
  C      -9.214980      4.929428     -0.231827
  C      -8.864303      3.720609     -0.789596
  C      -7.614440      3.150429     -0.458149
  N      -6.738063      3.713913      0.358711
  C      -7.068510      4.914808      0.901674
  C      -6.485716      2.193961      6.333202
  C      -7.084477      3.568572      6.687108
  C      -8.404058      3.797937      5.974568
  O      -8.112205      3.911707      4.559580
  C      -9.131425      3.583419      3.713741
  C     -10.264421      4.366839      3.578296
  C     -11.254748      3.987158      2.649818
  N     -11.189352      2.914306      1.871373
  C     -10.073301      2.137291      1.986242
  C      -9.935765      0.990638      1.165583
  C      -8.799803      0.214210      1.276257
  C      -7.812094      0.574048      2.220047
  N      -7.899172      1.628201      3.019583
  C      -9.002678      2.417109      2.900634
  H      -3.617266     -1.739327      4.679394
  H      -4.485067     -0.514110      3.744598
  H      -1.542852     -1.135352      3.175900
  H      -2.841655     -2.110258      2.465942
  H      -2.022281     -0.218469      0.962660
  H      -2.681570      0.941813      2.153303
  H      -5.733774     -1.452244     -0.331267
  H      -6.550881     -0.600622     -2.525831
  H      -4.601021      3.477876     -3.232422
  H      -3.059859      4.954120     -1.875368
  H      -2.244231      4.118878      0.337126
  H      -2.700619      5.950390      5.311748
  H      -3.878939      5.221700      6.414104
  H      -5.098304      6.263688      4.687825
  H      -5.271941      4.522984      4.424409
  H      -3.164936      4.803896      2.838429
  H      -3.763206      6.486060      2.678603
  H      -5.838592      7.355486      2.968637
  H      -8.045725      8.302274      2.431099
  H     -10.172119      5.410937     -0.437315
  H      -9.538588      3.192337     -1.464828
  H      -7.327347      2.186073     -0.884446
  H      -7.006514      1.414418      6.925803
  H      -6.681706      1.993885      5.271710
  H      -6.380858      4.357406      6.378725
  H      -7.239706      3.679013      7.772259
  H      -8.900682      4.717740      6.327419
  H      -9.093070      2.949969      6.128722
  H     -10.374834      5.280366      4.163586
  H     -12.146640      4.611997      2.537567
  H     -10.733776      0.761023      0.457572
  H      -8.653957     -0.667734      0.650580
  H      -6.905445     -0.031456      2.321503
  N      -4.584332      2.264712      3.588115
  H      -4.959204      2.505822      2.669183
100
Coordinates from ORCA-job orca E -6429.517311785646
  N      -2.940229      0.211434      4.979804
  Mo     -3.712735      2.053802      5.116817
  N      -5.048618      2.112944      6.562580
  C      -4.642764      2.189730      7.963640
  C      -3.335272      1.428490      8.149751
  N      -2.386438      1.816502      7.084154
  C      -1.391048      0.769355      6.777896
  C      -2.042440     -0.343772      5.980113
  C      -1.734304      3.121467      7.334408
  C      -1.480762      3.774636      5.975360
  N      -2.719970      3.835784      5.216619
  H      -1.245218     -0.961556      5.521426
  H      -2.605399     -1.028670      6.649977
  H      -0.609219      1.239272      6.165452
  H      -0.915257      0.383664      7.699073
  H      -1.053054      4.783756      6.121643
  H      -0.726578      3.191569      5.417997
  H      -2.429340      3.748336      7.910502
  H      -0.813579      2.991743      7.934151
  H      -5.415608      1.738359      8.613151
  H      -4.528221      3.240526      8.296946
  H      -3.533826      0.353086      8.041766
  H      -2.902200      1.601244      9.152545
  C      -3.471106     -0.826694      4.095116
  C      -2.567709     -1.110077      2.881587
  C      -2.726983     -0.076313      1.783828
  O      -4.056707     -0.294455      1.225387
  C      -4.441038      0.242616      0.051154
  C      -5.385423     -0.477260     -0.673439
  C      -5.860880      0.018043     -1.897733
  N      -5.486316      1.167499     -2.446344
  C      -4.588775      1.909836     -1.736065
  C      -4.203974      3.174960     -2.244776
  C      -3.345699      3.967671     -1.517650
  C      -2.861714      3.487156     -0.280370
  N      -3.171863      2.306446      0.228027
  C      -4.024834      1.511430     -0.474670
  C      -3.419251      5.108645      5.375598
  C      -4.547561      5.338074      4.372264
  C      -4.042117      5.430545      2.935536
  O      -4.988167      4.922200      1.966376
  C      -6.145860      5.571172      1.774093
  C      -6.499554      6.796653      2.322994
  C      -7.767230      7.341723      2.031999
  N      -8.679504      6.790239      1.247017
  C      -8.337459      5.595796      0.675118
  C      -9.253593      4.963714     -0.200077
  C      -8.910406      3.765645     -0.784866
  C      -7.654007      3.191951     -0.484663
  N      -6.767398      3.740276      0.331689
  C      -7.091467      4.929898      0.902665
  C      -6.486450      2.208706      6.336024
  C      -7.075963      3.594395      6.663611
  C      -8.394842      3.820953      5.948805
  O      -8.104332      3.864286      4.529989
  C      -9.133353      3.543479      3.696141
  C     -10.280448      4.311657      3.592147
  C     -11.276598      3.935513      2.668610
  N     -11.206480      2.879160      1.868317
  C     -10.079488      2.114478      1.956667
  C      -9.939586      0.980947      1.118315
  C      -8.795964      0.213605      1.207025
  C      -7.802647      0.568427      2.147091
  N      -7.889685      1.611982      2.960035
  C      -9.001043      2.392444      2.861846
  H      -3.599670     -1.759991      4.676123
  H      -4.469138     -0.538124      3.740715
  H      -1.513308     -1.118192      3.202380
  H      -2.789897     -2.109394      2.472637
  H      -1.987511     -0.208387      0.979410
  H      -2.655537      0.946385      2.170304
  H      -5.733408     -1.435951     -0.286982
  H      -6.589655     -0.573126     -2.462443
  H      -4.624780      3.491044     -3.200678
  H      -3.043225      4.953171     -1.874721
  H      -2.187684      4.107761      0.319002
  H      -2.681639      5.931005      5.276618
  H      -3.856008      5.218439      6.393534
  H      -5.086194      6.247922      4.672427
  H      -5.264161      4.505853      4.416994
  H      -3.175611      4.768734      2.812330
  H      -3.753232      6.458773      2.658549
  H      -5.826354      7.342932      2.980234
  H      -8.037847      8.302171      2.484409
  H     -10.213787      5.448434     -0.382742
  H      -9.594465      3.248982     -1.459256
  H      -7.369390      2.238739     -0.937629
  H      -7.012239      1.443570      6.942907
  H      -6.682645      1.990403      5.278042
  H      -6.366662      4.372445      6.341447
  H      -7.230095      3.726308      7.746555
  H      -8.869011      4.765148      6.265948
  H      -9.100443      2.994610      6.139815
  H     -10.397967      5.211530      4.196817
  H     -12.178369      4.549885      2.579084
  H     -10.742999      0.753247      0.415728
  H      -8.648995     -0.658754      0.568245
  H      -6.892655     -0.033568      2.234818
  N      -4.579409      2.243060      3.586136
  H      -4.959283      2.471948      2.666549
100
Coordinates from ORCA-job orca E -6429.517724455463
  N      -2.949151      0.195919      4.997389
  Mo     -3.715429      2.040509      5.114187
  N      -5.047919      2.126731      6.565173
  C      -4.636268      2.225596      7.962962
  C      -3.337044      1.453015      8.157963
  N      -2.385596      1.817533      7.085960
  C      -1.398926      0.758061      6.793584
  C      -2.057850     -0.357236      6.004574
  C      -1.722531      3.120370      7.317038
  C      -1.472054      3.754578      5.948345
  N      -2.714975      3.817055      5.196359
  H      -1.264644     -0.985343      5.553700
  H      -2.627745     -1.029938      6.680940
  H      -0.610589      1.214583      6.179203
  H      -0.930307      0.378041      7.720761
  H      -1.036355      4.762497      6.079844
  H      -0.726187      3.157551      5.394771
  H      -2.408241      3.759918      7.890287
  H      -0.798914      2.990332      7.912339
  H      -5.411990      1.795225      8.623395
  H      -4.508071      3.280684      8.278297
  H      -3.546776      0.378332      8.063951
  H      -2.900411      1.634500      9.157798
  C      -3.468873     -0.841476      4.104638
  C      -2.553708     -1.119019      2.898367
  C      -2.706271     -0.083866      1.800689
  O      -4.034068     -0.299923      1.238492
  C      -4.428323      0.250978      0.074728
  C      -5.388627     -0.455856     -0.642409
  C      -5.878077      0.052268     -1.855294
  N      -5.501618      1.202912     -2.400925
  C      -4.586769      1.931580     -1.698862
  C      -4.195861      3.195692     -2.205780
  C      -3.317768      3.974654     -1.487491
  C      -2.820179      3.481609     -0.260646
  N      -3.135658      2.301158      0.245815
  C      -4.008022      1.519750     -0.448248
  C      -3.407817      5.093705      5.352310
  C      -4.544095      5.319837      4.357537
  C      -4.047145      5.412269      2.918154
  O      -5.002001      4.917625      1.950261
  C      -6.158723      5.572368      1.772395
  C      -6.505016      6.793845      2.335236
  C      -7.776220      7.341450      2.065045
  N      -8.698853      6.796655      1.287153
  C      -8.361709      5.609724      0.696459
  C      -9.286787      4.987633     -0.176560
  C      -8.945975      3.801375     -0.786181
  C      -7.682563      3.228700     -0.513058
  N      -6.789710      3.765656      0.304281
  C      -7.111943      4.943428      0.900336
  C      -6.485661      2.229648      6.341550
  C      -7.061371      3.628859      6.637648
  C      -8.378838      3.854786      5.919308
  O      -8.093192      3.807970      4.499966
  C      -9.133837      3.497731      3.680916
  C     -10.294953      4.249273      3.611691
  C     -11.298694      3.876833      2.694849
  N     -11.226626      2.837638      1.872562
  C     -10.088783      2.085929      1.931718
  C      -9.949437      0.964743      1.076699
  C      -8.798594      0.206521      1.141501
  C      -7.796497      0.557666      2.074053
  N      -7.880768      1.591600      2.899049
  C      -9.000203      2.362801      2.824310
  H      -3.600283     -1.775663      4.683599
  H      -4.464966     -0.555901      3.742712
  H      -1.502349     -1.122552      3.229241
  H      -2.768542     -2.118391      2.485743
  H      -1.963662     -0.217898      0.999375
  H      -2.634291      0.939290      2.186264
  H      -5.738764     -1.414328     -0.257083
  H      -6.620629     -0.528065     -2.413434
  H      -4.627915      3.521737     -3.153354
  H      -3.010030      4.958984     -1.843521
  H      -2.129810      4.091040      0.331753
  H      -2.667759      5.912447      5.241504
  H      -3.835356      5.212217      6.373502
  H      -5.081490      6.229211      4.661085
  H      -5.258702      4.486141      4.407548
  H      -3.188026      4.742306      2.787993
  H      -3.748692      6.438983      2.644862
  H      -5.823477      7.334624      2.988346
  H      -8.041456      8.297768      2.529528
  H     -10.250895      5.471928     -0.339166
  H      -9.636349      3.293445     -1.460848
  H      -7.396086      2.287823     -0.990728
  H      -7.016360      1.482652      6.966645
  H      -6.685887      1.989446      5.289021
  H      -6.343545      4.391905      6.299753
  H      -7.214373      3.787281      7.717325
  H      -8.822111      4.828087      6.188966
  H      -9.106511      3.060220      6.156289
  H     -10.418714      5.134513      4.236329
  H     -12.210198      4.480166      2.630918
  H     -10.760243      0.738007      0.382182
  H      -8.652609     -0.656975      0.490454
  H      -6.883237     -0.041161      2.145874
  N      -4.577266      2.223709      3.580523
  H      -4.970445      2.437898      2.663213
100
Coordinates from ORCA-job orca E -6429.518192365473
  N      -2.962247      0.181623      5.013620
  Mo     -3.720705      2.027619      5.108620
  N      -5.048576      2.146469      6.566381
  C      -4.629041      2.263765      7.960181
  C      -3.340335      1.475813      8.161608
  N      -2.385964      1.817647      7.084278
  C      -1.407248      0.747007      6.804655
  C      -2.072884     -0.369785      6.023347
  C      -1.711684      3.117738      7.297700
  C      -1.462010      3.731571      5.919174
  N      -2.707104      3.796163      5.171965
  H      -1.283313     -1.003889      5.575399
  H      -2.644775     -1.034882      6.705599
  H      -0.612648      1.192156      6.190177
  H      -0.946015      0.371965      7.737548
  H      -1.017053      4.737571      6.034346
  H      -0.725023      3.118214      5.371965
  H      -2.389228      3.770036      7.866063
  H      -0.786996      2.986359      7.891063
  H      -5.408226      1.854840      8.630370
  H      -4.485428      3.321588      8.260838
  H      -3.563967      0.403008      8.077781
  H      -2.898820      1.661063      9.158738
  C      -3.471990     -0.856388      4.114195
  C      -2.543663     -1.131883      2.918131
  C      -2.690353     -0.097745      1.818694
  O      -4.010781     -0.324099      1.244662
  C      -4.414215      0.240735      0.091512
  C      -5.377838     -0.460430     -0.627594
  C      -5.878308      0.059959     -1.829794
  N      -5.507525      1.217571     -2.365645
  C      -4.587597      1.938872     -1.663188
  C      -4.198023      3.206940     -2.161339
  C      -3.311692      3.977252     -1.443661
  C      -2.804674      3.472153     -0.225795
  N      -3.119233      2.287882      0.272750
  C      -3.999188      1.515102     -0.421008
  C      -3.393253      5.076795      5.328950
  C      -4.538453      5.303730      4.345594
  C      -4.051595      5.402334      2.903994
  O      -5.015960      4.923923      1.937547
  C      -6.175380      5.579387      1.780803
  C      -6.520664      6.791216      2.365009
  C      -7.798836      7.334640      2.120247
  N      -8.729413      6.795622      1.347537
  C      -8.391612      5.621409      0.731959
  C      -9.323471      5.007285     -0.139637
  C      -8.980156      3.836875     -0.777781
  C      -7.707098      3.271290     -0.534802
  N      -6.810089      3.798752      0.284106
  C      -7.134766      4.961097      0.908002
  C      -6.486136      2.261662      6.347502
  C      -7.040941      3.677545      6.605117
  C      -8.356890      3.907395      5.883247
  O      -8.081753      3.752276      4.469889
  C      -9.131915      3.455510      3.663822
  C     -10.308181      4.186409      3.627853
  C     -11.315339      3.817426      2.713424
  N     -11.237405      2.798723      1.866772
  C     -10.087450      2.063482      1.898078
  C      -9.943502      0.957805      1.023654
  C      -8.784227      0.211699      1.066098
  C      -7.777032      0.559357      1.994732
  N      -7.863485      1.581228      2.833767
  C      -8.992417      2.339827      2.781548
  H      -3.609585     -1.788601      4.695003
  H      -4.464342     -0.571898      3.741926
  H      -1.495448     -1.130834      3.258876
  H      -2.750352     -2.132133      2.503688
  H      -1.938824     -0.230535      1.025167
  H      -2.626971      0.927126      2.201282
  H      -5.721985     -1.424189     -0.249869
  H      -6.624543     -0.515157     -2.388454
  H      -4.637237      3.542383     -3.102359
  H      -3.004704      4.964113     -1.793391
  H      -2.107729      4.074847      0.365811
  H      -2.650237      5.891396      5.206801
  H      -3.808304      5.201357      6.354872
  H      -5.074100      6.211498      4.656938
  H      -5.251369      4.469139      4.397843
  H      -3.199498      4.725643      2.763374
  H      -3.744577      6.428758      2.638343
  H      -5.833005      7.327176      3.015667
  H      -8.063142      8.282522      2.602425
  H     -10.294133      5.485901     -0.278786
  H      -9.675515      3.335568     -1.452298
  H      -7.414503      2.346204     -1.039541
  H      -7.023476      1.538112      6.994136
  H      -6.692868      1.995535      5.302528
  H      -6.310799      4.418611      6.247341
  H      -7.190363      3.869962      7.679848
  H      -8.758780      4.912282      6.094072
  H      -9.112515      3.157766      6.173360
  H     -10.442780      5.055027      4.273021
  H     -12.236804      4.407771      2.674127
  H     -10.758524      0.732276      0.333579
  H      -8.634856     -0.640354      0.400835
  H      -6.859348     -0.033962      2.051009
  N      -4.580406      2.205032      3.573622
  H      -4.995419      2.403514      2.662328
100
Coordinates from ORCA-job orca E -6429.518701461658
  N      -2.978628      0.177114      5.022994
  Mo     -3.727276      2.025348      5.100643
  N      -5.045647      2.169075      6.569967
  C      -4.612220      2.296716      7.958147
  C      -3.330386      1.496926      8.155624
  N      -2.379263      1.824145      7.071026
  C      -1.406270      0.746811      6.795855
  C      -2.078983     -0.371593      6.024190
  C      -1.695366      3.121664      7.272790
  C      -1.453124      3.724430      5.887681
  N      -2.703739      3.789009      5.151983
  H      -1.293956     -1.004747      5.567345
  H      -2.641873     -1.036936      6.713576
  H      -0.610837      1.185283      6.178204
  H      -0.945839      0.375740      7.730712
  H      -1.001368      4.728797      5.989190
  H      -0.725814      3.099756      5.340632
  H      -2.365368      3.781033      7.841671
  H      -0.768072      2.986899      7.860985
  H      -5.389889      1.900530      8.638021
  H      -4.457679      3.355600      8.250580
  H      -3.564861      0.425971      8.077638
  H      -2.880021      1.682027      9.148884
  C      -3.492833     -0.866406      4.130731
  C      -2.560868     -1.157064      2.942187
  C      -2.692305     -0.127773      1.836272
  O      -4.006363     -0.352688      1.247545
  C      -4.403477      0.223639      0.097874
  C      -5.361066     -0.472634     -0.634095
  C      -5.857090      0.058131     -1.832983
  N      -5.484444      1.221091     -2.356439
  C      -4.567105      1.935460     -1.644279
  C      -4.170613      3.205395     -2.132061
  C      -3.283842      3.967186     -1.405981
  C      -2.784875      3.453108     -0.188650
  N      -3.107273      2.267465      0.301264
  C      -3.985498      1.501828     -0.402073
  C      -3.388330      5.069790      5.316573
  C      -4.538157      5.296711      4.339756
  C      -4.056682      5.410988      2.898392
  O      -5.023197      4.942099      1.929679
  C      -6.188986      5.589568      1.790853
  C      -6.542106      6.788707      2.396105
  C      -7.827410      7.322943      2.168152
  N      -8.757705      6.787829      1.392417
  C      -8.411789      5.628307      0.753863
  C      -9.341315      5.021839     -0.125711
  C      -8.988228      3.869014     -0.789843
  C      -7.708611      3.311464     -0.563296
  N      -6.814876      3.830522      0.264573
  C      -7.147639      4.977450      0.912038
  C      -6.485638      2.285449      6.366582
  C      -7.029969      3.711013      6.592975
  C      -8.345735      3.943383      5.867879
  O      -8.086784      3.698115      4.465014
  C      -9.141871      3.418199      3.665904
  C     -10.332450      4.126936      3.662723
  C     -11.340476      3.765507      2.746028
  N     -11.256151      2.770785      1.872644
  C     -10.095244      2.051630      1.877046
  C      -9.947509      0.962276      0.982812
  C      -8.781165      0.226843      1.003844
  C      -7.768755      0.570537      1.928391
  N      -7.857759      1.579180      2.782419
  C      -8.995345      2.325269      2.753823
  H      -3.640302     -1.790624      4.721947
  H      -4.480742     -0.576195      3.751719
  H      -1.513917     -1.164289      3.286545
  H      -2.774283     -2.157418      2.531600
  H      -1.932068     -0.270754      1.052411
  H      -2.626861      0.899193      2.211561
  H      -5.705025     -1.440536     -0.266877
  H      -6.600556     -0.512083     -2.400018
  H      -4.603898      3.548758     -3.072909
  H      -2.970961      4.954689     -1.748407
  H      -2.087965      4.049589      0.409008
  H      -2.645637      5.884125      5.190152
  H      -3.794873      5.191956      6.346281
  H      -5.079900      6.197457      4.661019
  H      -5.243982      4.456651      4.385736
  H      -3.204810      4.735980      2.748429
  H      -3.749658      6.440375      2.643846
  H      -5.854838      7.321791      3.049603
  H      -8.097278      8.260040      2.667881
  H     -10.317302      5.493241     -0.251098
  H      -9.680780      3.375206     -1.472683
  H      -7.406121      2.401718     -1.089439
  H      -7.018447      1.579333      7.035649
  H      -6.704214      1.994649      5.331123
  H      -6.292008      4.434871      6.219320
  H      -7.176634      3.930817      7.662828
  H      -8.710127      4.971532      6.026216
  H      -9.124883      3.237230      6.201984
  H     -10.480653      4.974453      4.332088
  H     -12.271184      4.342294      2.732353
  H     -10.767045      0.738035      0.297774
  H      -8.629022     -0.613723      0.324897
  H      -6.846171     -0.016660      1.968364
  N      -4.597028      2.199434      3.571524
  H      -5.045644      2.386316      2.673788
100
Coordinates from ORCA-job orca E -6429.519255930567
  N      -3.013124      0.166618      5.033116
  Mo     -3.744120      2.021472      5.097525
  N      -5.046624      2.202831      6.581383
  C      -4.594486      2.346908      7.961238
  C      -3.322678      1.529698      8.154826
  N      -2.378170      1.828472      7.057030
  C      -1.421689      0.734588      6.787987
  C      -2.113777     -0.383415      6.033652
  C      -1.673179      3.118909      7.236678
  C      -1.436287      3.700677      5.841059
  N      -2.693439      3.773989      5.118713
  H      -1.340511     -1.030133      5.574917
  H      -2.678248     -1.038121      6.731716
  H      -0.624890      1.155691      6.160564
  H      -0.959696      0.368099      7.723932
  H      -0.966045      4.698193      5.921911
  H      -0.726540      3.055331      5.294724
  H      -2.329670      3.793968      7.802857
  H      -0.743654      2.977275      7.819391
  H      -5.368917      1.971438      8.656511
  H      -4.422231      3.407580      8.236679
  H      -3.575304      0.461901      8.091575
  H      -2.858609      1.718468      9.141075
  C      -3.527507     -0.880544      4.143590
  C      -2.586503     -1.181631      2.965318
  C      -2.700003     -0.156508      1.853668
  O      -4.000865     -0.384889      1.236983
  C      -4.382081      0.208240      0.089959
  C      -5.327216     -0.480534     -0.665096
  C      -5.816018      0.069519     -1.857986
  N      -5.446892      1.244638     -2.355528
  C      -4.538723      1.949896     -1.623321
  C      -4.144673      3.230131     -2.084997
  C      -3.267651      3.982935     -1.338396
  C      -2.777216      3.450136     -0.125776
  N      -3.098324      2.255111      0.340535
  C      -3.965246      1.496558     -0.384197
  C      -3.365626      5.060405      5.290491
  C      -4.518992      5.296443      4.320405
  C      -4.050119      5.422283      2.876371
  O      -5.025636      4.957275      1.914725
  C      -6.199712      5.593563      1.798570
  C      -6.559424      6.780113      2.424092
  C      -7.854286      7.301098      2.220306
  N      -8.787532      6.765994      1.448850
  C      -8.436010      5.620469      0.788945
  C      -9.368867      5.016941     -0.088987
  C      -9.010809      3.878286     -0.774403
  C      -7.723264      3.331564     -0.570128
  N      -6.825954      3.847846      0.255630
  C      -7.162629      4.982087      0.922915
  C      -6.488567      2.321708      6.393374
  C      -7.020080      3.758293      6.574907
  C      -8.334135      3.989492      5.843641
  O      -8.093606      3.650292      4.458462
  C      -9.149868      3.378551      3.664694
  C     -10.355145      4.061726      3.688216
  C     -11.362261      3.701615      2.769633
  N     -11.268147      2.728574      1.874194
  C     -10.094803      2.029547      1.855783
  C      -9.938496      0.956502      0.943391
  C      -8.761971      0.237371      0.943402
  C      -7.745996      0.583653      1.862965
  N      -7.843061      1.578849      2.731287
  C      -8.992288      2.306559      2.726435
  H      -3.684920     -1.800505      4.738514
  H      -4.509571     -0.583921      3.754766
  H      -1.542298     -1.194388      3.317667
  H      -2.800028     -2.182719      2.556527
  H      -1.924577     -0.301648      1.085068
  H      -2.642008      0.871063      2.226902
  H      -5.669326     -1.456710     -0.318949
  H      -6.551626     -0.494034     -2.441316
  H      -4.571729      3.588629     -3.022896
  H      -2.956272      4.977465     -1.660836
  H      -2.087982      4.039583      0.487321
  H      -2.617612      5.869137      5.158921
  H      -3.762575      5.184506      6.323529
  H      -5.061304      6.192811      4.652575
  H      -5.222250      4.454632      4.362259
  H      -3.199176      4.748794      2.714143
  H      -3.746402      6.453391      2.625324
  H      -5.870078      7.313415      3.075076
  H      -8.128160      8.227402      2.737345
  H     -10.351591      5.478515     -0.195599
  H      -9.705979      3.387047     -1.456375
  H      -7.417523      2.431379     -1.110074
  H      -7.017558      1.641456      7.091085
  H      -6.719534      1.997035      5.371242
  H      -6.273058      4.458919      6.177318
  H      -7.162006      4.015326      7.636843
  H      -8.659377      5.038088      5.939806
  H      -9.137358      3.334521      6.222279
  H     -10.519286      4.890244      4.376961
  H     -12.302532      4.262604      2.777041
  H     -10.761061      0.729961      0.262964
  H      -8.603098     -0.591053      0.251473
  H      -6.813912      0.010409      1.885767
  N      -4.632818      2.191106      3.579578
  H      -5.116158      2.373079      2.699265
100
Coordinates from ORCA-job orca E -6429.519783119673
  N      -3.043297      0.159010      5.041545
  Mo     -3.758515      2.021560      5.098115
  N      -5.043665      2.228307      6.596167
  C      -4.572233      2.389765      7.966953
  C      -3.305650      1.562419      8.155151
  N      -2.372531      1.836897      7.042336
  C      -1.431709      0.728858      6.777239
  C      -2.142522     -0.389967      6.041949
  C      -1.649581      3.120684      7.200999
  C      -1.424226      3.688614      5.797983
  N      -2.691014      3.770232      5.094080
  H      -1.380553     -1.050107      5.582462
  H      -2.708212     -1.033472      6.749034
  H      -0.636565      1.132979      6.136656
  H      -0.964130      0.367529      7.712448
  H      -0.938560      4.679664      5.863172
  H      -0.731363      3.029986      5.245364
  H      -2.292314      3.807660      7.768777
  H      -0.715265      2.973384      7.774325
  H      -5.338997      2.031497      8.679474
  H      -4.385593      3.452713      8.222061
  H      -3.571669      0.496932      8.109122
  H      -2.827753      1.758504      9.133333
  C      -3.562076     -0.892371      4.159794
  C      -2.617381     -1.206325      2.987558
  C      -2.713749     -0.186326      1.869828
  O      -4.005838     -0.411702      1.233067
  C      -4.368553      0.190411      0.083538
  C      -5.303397     -0.493887     -0.687838
  C      -5.781732      0.066407     -1.880808
  N      -5.410948      1.246373     -2.363685
  C      -4.509057      1.945794     -1.618076
  C      -4.111897      3.229399     -2.067246
  C      -3.241033      3.976490     -1.308425
  C      -2.761050      3.434485     -0.095579
  N      -3.086155      2.236920      0.359742
  C      -3.946565      1.482323     -0.377378
  C      -3.357583      5.055926      5.285190
  C      -4.514011      5.302524      4.320713
  C      -4.054394      5.454208      2.876048
  O      -5.029981      4.988195      1.914598
  C      -6.211748      5.611588      1.812876
  C      -6.580211      6.786133      2.455510
  C      -7.881075      7.297305      2.264915
  N      -8.811939      6.763594      1.490496
  C      -8.452819      5.630796      0.813271
  C      -9.383559      5.032823     -0.070271
  C      -9.018406      3.907272     -0.773472
  C      -7.726513      3.368096     -0.580214
  N      -6.829401      3.880384      0.248418
  C      -7.172761      5.002198      0.933017
  C      -6.487606      2.342396      6.424580
  C      -7.014517      3.785199      6.564201
  C      -8.324064      4.007230      5.822048
  O      -8.094823      3.595285      4.457103
  C      -9.151444      3.333286      3.666191
  C     -10.365703      3.998790      3.714465
  C     -11.375151      3.645252      2.794893
  N     -11.277262      2.691777      1.879799
  C     -10.095995      2.006347      1.839749
  C      -9.937350      0.948614      0.910295
  C      -8.754020      0.241138      0.888086
  C      -7.731364      0.587715      1.800068
  N      -7.830874      1.569901      2.682662
  C      -8.988988      2.281925      2.703848
  H      -3.726068     -1.809623      4.756526
  H      -4.540060     -0.589599      3.765008
  H      -1.574960     -1.226844      3.344731
  H      -2.835265     -2.208199      2.582588
  H      -1.928559     -0.335880      1.112277
  H      -2.657872      0.841442      2.242406
  H      -5.648575     -1.473198     -0.354262
  H      -6.510961     -0.493178     -2.475745
  H      -4.531047      3.595254     -3.005738
  H      -2.926343      4.972952     -1.621200
  H      -2.075269      4.018588      0.526413
  H      -2.609571      5.865400      5.158247
  H      -3.750326      5.170197      6.320730
  H      -5.064405      6.187400      4.669359
  H      -5.208580      4.451675      4.349631
  H      -3.196704      4.792546      2.701087
  H      -3.764956      6.491195      2.633640
  H      -5.892977      7.318076      3.109582
  H      -8.161114      8.213389      2.796434
  H     -10.370398      5.487364     -0.167430
  H      -9.711478      3.421435     -1.461372
  H      -7.417460      2.475658     -1.130380
  H      -7.008134      1.685136      7.149685
  H      -6.730526      1.985893      5.416631
  H      -6.261355      4.467993      6.147203
  H      -7.156913      4.073621      7.617663
  H      -8.621216      5.068062      5.860410
  H      -9.145809      3.396443      6.233600
  H     -10.539074      4.808372      4.422928
  H     -12.321646      4.194949      2.822037
  H     -10.765020      0.722788      0.236034
  H      -8.593901     -0.576687      0.184178
  H      -6.791587      0.027169      1.804827
  N      -4.668728      2.186816      3.592526
  H      -5.183063      2.371994      2.730920
100
Coordinates from ORCA-job orca E -6429.520231529379
  N      -3.072116      0.147192      5.052993
  Mo     -3.775522      2.015914      5.101719
  N      -5.040217      2.246341      6.614918
  C      -4.548807      2.430890      7.975492
  C      -3.285154      1.597466      8.160157
  N      -2.366111      1.846863      7.030054
  C      -1.440160      0.725771      6.769738
  C      -2.168659     -0.396508      6.055553
  C      -1.628823      3.125425      7.161112
  C      -1.419141      3.673336      5.748333
  N      -2.695961      3.762578      5.062784
  H      -1.416091     -1.069817      5.599910
  H      -2.735790     -1.025307      6.774354
  H      -0.648402      1.112489      6.114002
  H      -0.965125      0.372216      7.704137
  H      -0.919066      4.658482      5.794163
  H      -0.743358      3.000627      5.191476
  H      -2.256286      3.826002      7.729407
  H      -0.687433      2.977035      7.722579
  H      -5.305896      2.092389      8.707521
  H      -4.348387      3.497078      8.204508
  H      -3.561438      0.533757      8.135309
  H      -2.792989      1.805384      9.128771
  C      -3.594092     -0.905321      4.176407
  C      -2.646572     -1.228906      3.007932
  C      -2.726340     -0.210336      1.887801
  O      -4.011583     -0.430894      1.235809
  C      -4.362543      0.184221      0.088828
  C      -5.295241     -0.489181     -0.694524
  C      -5.769369      0.087644     -1.881766
  N      -5.395920      1.272833     -2.348074
  C      -4.492446      1.959939     -1.592479
  C      -4.090038      3.246967     -2.027068
  C      -3.215419      3.981265     -1.260498
  C      -2.736640      3.422029     -0.054896
  N      -3.067605      2.221352      0.387362
  C      -3.933275      1.479314     -0.356881
  C      -3.353987      5.049962      5.265464
  C      -4.511560      5.307457      4.304261
  C      -4.055963      5.472515      2.859571
  O      -5.032011      5.005556      1.898409
  C      -6.218344      5.622147      1.809053
  C      -6.589557      6.786841      2.467977
  C      -7.894659      7.292658      2.292946
  N      -8.828076      6.760848      1.520679
  C      -8.467351      5.637539      0.828588
  C      -9.402255      5.042739     -0.052339
  C      -9.036106      3.926853     -0.770744
  C      -7.738820      3.394921     -0.595322
  N      -6.836805      3.904799      0.229636
  C      -7.181994      5.016296      0.929915
  C      -6.486213      2.351317      6.458526
  C      -7.016789      3.796571      6.564973
  C      -8.320052      4.004191      5.808066
  O      -8.091246      3.536098      4.462699
  C      -9.146496      3.286568      3.668109
  C     -10.365806      3.941827      3.732513
  C     -11.374283      3.600870      2.806384
  N     -11.272117      2.666710      1.872513
  C     -10.086358      1.989635      1.817749
  C      -9.923849      0.948952      0.870173
  C      -8.736569      0.249248      0.831679
  C      -7.712513      0.588547      1.744663
  N      -7.815689      1.555376      2.643656
  C      -8.978905      2.256883      2.683158
  H      -3.763025     -1.821801      4.772738
  H      -4.569311     -0.598771      3.777501
  H      -1.606408     -1.257744      3.370989
  H      -2.869976     -2.230255      2.604312
  H      -1.933617     -0.361301      1.138746
  H      -2.672899      0.817239      2.262861
  H      -5.645092     -1.471224     -0.374386
  H      -6.498341     -0.462997     -2.485500
  H      -4.507651      3.625450     -2.961205
  H      -2.896333      4.979902     -1.561604
  H      -2.046324      3.994502      0.572995
  H      -2.602596      5.856773      5.141159
  H      -3.745631      5.162100      6.301758
  H      -5.064607      6.186898      4.661970
  H      -5.202279      4.452358      4.325404
  H      -3.194662      4.817167      2.678540
  H      -3.775169      6.512406      2.620450
  H      -5.900963      7.315248      3.123448
  H      -8.176510      8.200880      2.836951
  H     -10.392936      5.491592     -0.136146
  H      -9.732096      3.444458     -1.458011
  H      -7.430197      2.509409     -1.157483
  H      -6.995575      1.711701      7.206802
  H      -6.739384      1.968437      5.463346
  H      -6.260449      4.470552      6.139678
  H      -7.167104      4.105186      7.611373
  H      -8.600854      5.070434      5.798174
  H      -9.154249      3.425349      6.240205
  H     -10.545425      4.733935      4.458587
  H     -12.324112      4.144126      2.845766
  H     -10.752710      0.729704      0.195117
  H      -8.574446     -0.556345      0.114275
  H      -6.768093      0.036993      1.736699
  N      -4.703841      2.172916      3.606848
  H      -5.243578      2.360407      2.761236
100
Coordinates from ORCA-job orca E -6429.520644503287
  N      -3.099810      0.134975      5.062480
  Mo     -3.789085      2.010858      5.105478
  N      -5.028867      2.259694      6.635828
  C      -4.513776      2.469096      7.984182
  C      -3.251363      1.630760      8.162568
  N      -2.350533      1.856450      7.012520
  C      -1.440235      0.723044      6.752431
  C      -2.188156     -0.402394      6.062614
  C      -1.599292      3.129110      7.115190
  C      -1.414870      3.662956      5.694502
  N      -2.705496      3.761056      5.035351
  H      -1.445466     -1.086864      5.608034
  H      -2.752800     -1.016669      6.795673
  H      -0.655299      1.092932      6.078549
  H      -0.953568      0.376433      7.683448
  H      -0.902597      4.642951      5.722687
  H      -0.758300      2.980749      5.126359
  H      -2.208194      3.840997      7.689629
  H      -0.647519      2.978605      7.658714
  H      -5.258385      2.151827      8.737882
  H      -4.299252      3.538425      8.183391
  H      -3.536333      0.568909      8.159972
  H      -2.742363      1.851040      9.119682
  C      -3.630772     -0.917870      4.194540
  C      -2.683759     -1.258210      3.028908
  C      -2.740749     -0.239914      1.907557
  O      -4.017684     -0.454548      1.237027
  C      -4.352016      0.167908      0.088423
  C      -5.275003     -0.500386     -0.710438
  C      -5.740725      0.088068     -1.895916
  N      -5.366890      1.278801     -2.346374
  C      -4.467974      1.958452     -1.577829
  C      -4.062434      3.249081     -1.999008
  C      -3.189332      3.974886     -1.222837
  C      -2.715239      3.402540     -0.021264
  N      -3.051040      2.199155      0.409572
  C      -3.916657      1.465729     -0.343620
  C      -3.360865      5.043862      5.266499
  C      -4.527311      5.314111      4.317832
  C      -4.080292      5.502023      2.872867
  O      -5.051888      5.030948      1.908108
  C      -6.241700      5.641433      1.818942
  C      -6.620137      6.801638      2.482290
  C      -7.925376      7.305482      2.302677
  N      -8.853122      6.774047      1.523004
  C      -8.485223      5.654819      0.827668
  C      -9.413078      5.061989     -0.061870
  C      -9.038469      3.951775     -0.785462
  C      -7.739711      3.424127     -0.606863
  N      -6.843728      3.932438      0.225762
  C      -7.198201      5.037285      0.931928
  C      -6.477117      2.352789      6.498579
  C      -7.014434      3.800253      6.568370
  C      -8.312461      3.989235      5.797085
  O      -8.083842      3.478103      4.468697
  C      -9.139299      3.248567      3.668946
  C     -10.359714      3.901218      3.747131
  C     -11.370399      3.573681      2.817617
  N     -11.269907      2.653384      1.869936
  C     -10.082474      1.979850      1.801516
  C      -9.920288      0.953118      0.839052
  C      -8.730133      0.259598      0.783565
  C      -7.701395      0.593010      1.693397
  N      -7.804652      1.546419      2.606990
  C      -8.972050      2.238200      2.665409
  H      -3.807652     -1.831457      4.793298
  H      -4.602383     -0.605045      3.791740
  H      -1.646247     -1.303849      3.398015
  H      -2.921194     -2.256895      2.626238
  H      -1.938552     -0.393076      1.169385
  H      -2.689089      0.787070      2.285912
  H      -5.627688     -1.485615     -0.403264
  H      -6.464027     -0.458036     -2.510958
  H      -4.475355      3.636450     -2.931713
  H      -2.867389      4.975908     -1.513210
  H      -2.023822      3.966051      0.613843
  H      -2.610991      5.853216      5.148736
  H      -3.747408      5.142339      6.306295
  H      -5.083628      6.184108      4.692456
  H      -5.211635      4.451977      4.330794
  H      -3.210563      4.860362      2.683680
  H      -3.815560      6.547581      2.640786
  H      -5.936412      7.329005      3.143580
  H      -8.212951      8.210914      2.848689
  H     -10.404913      5.507940     -0.149376
  H      -9.728730      3.471958     -1.480289
  H      -7.425615      2.543230     -1.174359
  H      -6.971040      1.734090      7.274136
  H      -6.743898      1.939479      5.519254
  H      -6.255797      4.467407      6.135939
  H      -7.174648      4.128018      7.607332
  H      -8.584835      5.056797      5.745114
  H      -9.154400      3.435279      6.246714
  H     -10.540513      4.678711      4.488232
  H     -12.321204      4.114659      2.867586
  H     -10.752122      0.740402      0.165205
  H      -8.569289     -0.535461      0.054061
  H      -6.751902      0.051174      1.670377
  N      -4.739207      2.161460      3.623937
  H      -5.309072      2.357948      2.799753
100
Coordinates from ORCA-job orca E -6429.520967893746
  N      -3.112521      0.121688      5.081957
  Mo     -3.796681      1.998600      5.110633
  N      -5.019404      2.265985      6.651734
  C      -4.488520      2.501511      7.989896
  C      -3.227403      1.660798      8.169779
  N      -2.337654      1.864910      7.006140
  C      -1.436531      0.722716      6.751618
  C      -2.197760     -0.407173      6.083978
  C      -1.578616      3.134608      7.082036
  C      -1.415020      3.650036      5.652257
  N      -2.714885      3.750783      5.012325
  H      -1.462412     -1.103058      5.635998
  H      -2.762574     -1.003569      6.831595
  H      -0.656534      1.079121      6.064759
  H      -0.942989      0.385310      7.682328
  H      -0.896387      4.627523      5.660612
  H      -0.772910      2.956483      5.081809
  H      -2.173059      3.857221      7.658074
  H      -0.618649      2.985597      7.611455
  H      -5.226040      2.204364      8.758472
  H      -4.265365      3.573682      8.164272
  H      -3.516278      0.600148      8.186773
  H      -2.707095      1.894577      9.117454
  C      -3.640364     -0.932359      4.214954
  C      -2.691577     -1.274264      3.050909
  C      -2.741653     -0.251347      1.933086
  O      -4.015738     -0.463443      1.256620
  C      -4.354017      0.164872      0.113137
  C      -5.285136     -0.496466     -0.682331
  C      -5.758871      0.099335     -1.860399
  N      -5.384289      1.291166     -2.308089
  C      -4.474463      1.962072     -1.544809
  C      -4.063998      3.251483     -1.965299
  C      -3.176013      3.967431     -1.196951
  C      -2.691721      3.386461     -0.003654
  N      -3.033045      2.184254      0.427206
  C      -3.914038      1.461449     -0.318014
  C      -3.364593      5.034716      5.250750
  C      -4.536159      5.308627      4.309523
  C      -4.093320      5.499181      2.863701
  O      -5.068054      5.035780      1.897458
  C      -6.258095      5.647875      1.817243
  C      -6.637817      6.796306      2.500467
  C      -7.944596      7.299735      2.332169
  N      -8.874185      6.777493      1.547686
  C      -8.504441      5.671457      0.832231
  C      -9.433091      5.089610     -0.064111
  C      -9.054867      3.996467     -0.811481
  C      -7.751205      3.474242     -0.650737
  N      -6.856158      3.970010      0.190211
  C      -7.214573      5.057831      0.920695
  C      -6.469623      2.349032      6.527943
  C      -7.013889      3.796316      6.570360
  C      -8.309721      3.970812      5.790032
  O      -8.082577      3.420527      4.475951
  C      -9.134655      3.210268      3.665545
  C     -10.357516      3.858622      3.751161
  C     -11.361915      3.549840      2.809006
  N     -11.255609      2.650099      1.842526
  C     -10.066904      1.979977      1.766161
  C      -9.899434      0.971997      0.784866
  C      -8.708933      0.280220      0.721457
  C      -7.684118      0.596657      1.641393
  N      -7.791759      1.533070      2.571974
  C      -8.960351      2.222387      2.639909
  H      -3.818171     -1.844330      4.816397
  H      -4.611499     -0.622057      3.809752
  H      -1.655844     -1.325187      3.424283
  H      -2.933395     -2.270345      2.644962
  H      -1.935314     -0.401950      1.198923
  H      -2.691637      0.774795      2.314154
  H      -5.639564     -1.481441     -0.376176
  H      -6.489774     -0.440748     -2.471777
  H      -4.484579      3.644988     -2.892016
  H      -2.850011      4.967211     -1.487055
  H      -1.987077      3.940810      0.624915
  H      -2.612250      5.841445      5.129968
  H      -3.745888      5.134751      6.292615
  H      -5.089044      6.179096      4.688257
  H      -5.220014      4.447864      4.325707
  H      -3.225706      4.856071      2.669939
  H      -3.826600      6.545372      2.636245
  H      -5.953979      7.313844      3.169480
  H      -8.233571      8.195863      2.892595
  H     -10.427826      5.531543     -0.138642
  H      -9.745420      3.526073     -1.512532
  H      -7.432017      2.610602     -1.241864
  H      -6.951674      1.745979      7.322948
  H      -6.745170      1.912661      5.561733
  H      -6.254878      4.460456      6.135350
  H      -7.182870      4.137121      7.603824
  H      -8.575313      5.038186      5.710093
  H      -9.155006      3.433374      6.253251
  H     -10.545542      4.617973      4.508915
  H     -12.314132      4.087721      2.865058
  H     -10.728228      0.771764      0.103419
  H      -8.545309     -0.500885     -0.022404
  H      -6.734449      0.054861      1.612941
  N      -4.758349      2.139184      3.636721
  H      -5.350360      2.331808      2.827106
100
Coordinates from ORCA-job orca E -6429.521297736395
  N      -3.119843      0.112455      5.089248
  Mo     -3.806951      1.987953      5.116236
  N      -5.003469      2.254145      6.675780
  C      -4.450865      2.509414      8.002097
  C      -3.180724      1.678668      8.168891
  N      -2.313297      1.878769      6.986838
  C      -1.414145      0.737552      6.720942
  C      -2.184597     -0.401403      6.080141
  C      -1.557224      3.151341      7.039005
  C      -1.430461      3.658181      5.602732
  N      -2.743337      3.756333      4.989543
  H      -1.453259     -1.098082      5.628124
  H      -2.734151     -0.989056      6.846007
  H      -0.651617      1.091728      6.013599
  H      -0.898957      0.408707      7.643009
  H      -0.912706      4.636785      5.592218
  H      -0.801664      2.961478      5.021818
  H      -2.138992      3.875685      7.625662
  H      -0.584332      3.008749      7.546195
  H      -5.173763      2.219376      8.786721
  H      -4.229317      3.584927      8.158102
  H      -3.461086      0.616135      8.199953
  H      -2.644650      1.924947      9.104283
  C      -3.657276     -0.946191      4.236133
  C      -2.716578     -1.303526      3.069566
  C      -2.751982     -0.276506      1.955029
  O      -4.016372     -0.488438      1.259716
  C      -4.339971      0.144833      0.115293
  C      -5.250525     -0.515937     -0.704052
  C      -5.713799      0.091318     -1.880200
  N      -5.345895      1.293835     -2.305304
  C      -4.451331      1.961102     -1.520863
  C      -4.045014      3.259299     -1.918020
  C      -3.168273      3.969061     -1.131062
  C      -2.689452      3.372517      0.056844
  N      -3.028969      2.162492      0.467265
  C      -3.901350      1.448125     -0.295034
  C      -3.396414      5.035408      5.241920
  C      -4.569143      5.316232      4.303008
  C      -4.119501      5.505150      2.859569
  O      -5.084483      5.030977      1.888958
  C      -6.273555      5.643657      1.797720
  C      -6.659644      6.790728      2.479916
  C      -7.961437      7.299479      2.292835
  N      -8.882710      6.780902      1.495083
  C      -8.508151      5.671499      0.787199
  C      -9.426766      5.089762     -0.120108
  C      -9.042170      3.993156     -0.859173
  C      -7.742951      3.465063     -0.678432
  N      -6.858367      3.960381      0.173283
  C      -7.221992      5.053576      0.893298
  C      -6.456977      2.314029      6.578378
  C      -7.024957      3.754570      6.617896
  C      -8.320473      3.911725      5.832532
  O      -8.081569      3.388256      4.508536
  C      -9.130715      3.215300      3.681944
  C     -10.343289      3.883206      3.770534
  C     -11.348996      3.601678      2.821743
  N     -11.254609      2.710594      1.845902
  C     -10.074002      2.027820      1.760674
  C      -9.917070      1.032012      0.765303
  C      -8.731406      0.333467      0.687246
  C      -7.700219      0.630852      1.605536
  N      -7.799114      1.552592      2.551940
  C      -8.964298      2.246157      2.637590
  H      -3.836957     -1.850787      4.849091
  H      -4.628856     -0.635922      3.832676
  H      -1.682030     -1.374341      3.442891
  H      -2.977859     -2.293827      2.662310
  H      -1.934960     -0.422731      1.231747
  H      -2.708433      0.748854      2.339408
  H      -5.600823     -1.507838     -0.415632
  H      -6.430190     -0.447852     -2.509332
  H      -4.459029      3.663233     -2.843289
  H      -2.846629      4.975472     -1.402588
  H      -1.991806      3.919861      0.699127
  H      -2.643842      5.843059      5.127506
  H      -3.779019      5.129860      6.283953
  H      -5.118106      6.189653      4.681701
  H      -5.256420      4.459056      4.320979
  H      -3.244858      4.869232      2.673811
  H      -3.862104      6.553308      2.630280
  H      -5.983350      7.303774      3.160484
  H      -8.255340      8.197092      2.848276
  H     -10.418698      5.535330     -0.209853
  H      -9.724740      3.523464     -1.568545
  H      -7.419179      2.598833     -1.264001
  H      -6.912383      1.714390      7.391150
  H      -6.746930      1.861213      5.623950
  H      -6.273524      4.433789      6.195131
  H      -7.208938      4.084729      7.652442
  H      -8.610964      4.973571      5.767445
  H      -9.153257      3.349097      6.289109
  H     -10.524161      4.632192      4.540138
  H     -12.294355      4.151035      2.882472
  H     -10.749743      0.847220      0.084143
  H      -8.576821     -0.437515     -0.069155
  H      -6.752207      0.086959      1.562663
  N      -4.795460      2.114117      3.659967
  H      -5.425685      2.313557      2.879753
100
Coordinates from ORCA-job orca E -6429.521695040235
  N      -3.126331      0.095444      5.100034
  Mo     -3.819252      1.967452      5.119317
  N      -4.997208      2.245748      6.692471
  C      -4.428037      2.518822      8.007776
  C      -3.157016      1.689053      8.169857
  N      -2.302138      1.878063      6.976932
  C      -1.406111      0.734479      6.709859
  C      -2.184719     -0.409319      6.088714
  C      -1.545787      3.151390      7.008446
  C      -1.445466      3.649217      5.566215
  N      -2.767450      3.743465      4.973912
  H      -1.458760     -1.112644      5.638189
  H      -2.728282     -0.986733      6.866659
  H      -0.652573      1.083360      5.990526
  H      -0.880029      0.413148      7.628571
  H      -0.928709      4.628126      5.539214
  H      -0.827091      2.946961      4.980626
  H      -2.116842      3.878739      7.601979
  H      -0.564183      3.011636      7.499141
  H      -5.143084      2.240644      8.803896
  H      -4.203751      3.595891      8.149486
  H      -3.435634      0.626606      8.213890
  H      -2.609980      1.944885      9.096263
  C      -3.652418     -0.969404      4.246478
  C      -2.704699     -1.320052      3.083880
  C      -2.738787     -0.290112      1.971643
  O      -3.993480     -0.512185      1.262350
  C      -4.319843      0.123975      0.120854
  C      -5.228215     -0.538007     -0.700385
  C      -5.700508      0.072962     -1.870232
  N      -5.342286      1.280792     -2.289531
  C      -4.447524      1.947929     -1.505916
  C      -4.048982      3.250259     -1.897578
  C      -3.171588      3.959635     -1.111214
  C      -2.684378      3.359449      0.071211
  N      -3.016807      2.145723      0.476776
  C      -3.889073      1.431485     -0.285275
  C      -3.422291      5.017908      5.241338
  C      -4.604356      5.298871      4.314079
  C      -4.161522      5.502280      2.870312
  O      -5.122775      5.033264      1.893222
  C      -6.311977      5.644816      1.796258
  C      -6.708071      6.785457      2.483615
  C      -8.008593      7.292953      2.286081
  N      -8.919944      6.780572      1.472989
  C      -8.534312      5.679929      0.757710
  C      -9.440026      5.106513     -0.168063
  C      -9.042566      4.021730     -0.917293
  C      -7.743184      3.496082     -0.728866
  N      -6.872258      3.982213      0.141627
  C      -7.248173      5.063980      0.872593
  C      -6.451719      2.310243      6.614899
  C      -7.009565      3.755456      6.634810
  C      -8.305094      3.914420      5.850495
  O      -8.075981      3.359037      4.537943
  C      -9.119651      3.214604      3.701521
  C     -10.330440      3.885385      3.792621
  C     -11.328205      3.626479      2.829514
  N     -11.230477      2.753163      1.838264
  C     -10.052228      2.066977      1.750195
  C      -9.892465      1.086561      0.739967
  C      -8.710164      0.383080      0.660279
  C      -7.684711      0.660811      1.590730
  N      -7.785984      1.568363      2.549812
  C      -8.948457      2.265597      2.638789
  H      -3.827336     -1.872587      4.862985
  H      -4.625566     -0.668283      3.839901
  H      -1.671753     -1.388729      3.461808
  H      -2.960824     -2.309746      2.672310
  H      -1.912688     -0.427569      1.256836
  H      -2.707365      0.735050      2.356812
  H      -5.571298     -1.533504     -0.415481
  H      -6.416299     -0.466829     -2.499312
  H      -4.469655      3.657213     -2.818478
  H      -2.856440      4.969164     -1.378620
  H      -1.985994      3.906681      0.712672
  H      -2.673325      5.828732      5.124847
  H      -3.794315      5.105046      6.287893
  H      -5.153712      6.166844      4.704257
  H      -5.288619      4.439396      4.332150
  H      -3.284241      4.872032      2.678303
  H      -3.908255      6.553833      2.651549
  H      -6.040398      7.294578      3.175136
  H      -8.310450      8.185146      2.845894
  H     -10.432497      5.549694     -0.263216
  H      -9.715153      3.558622     -1.640459
  H      -7.406662      2.640673     -1.323501
  H      -6.898445      1.728213      7.444951
  H      -6.757089      1.840161      5.673840
  H      -6.252457      4.423925      6.205355
  H      -7.192107      4.100522      7.664856
  H      -8.582063      4.978295      5.768215
  H      -9.142503      3.369195      6.319661
  H     -10.518073      4.618650      4.575509
  H     -12.271459      4.179142      2.893064
  H     -10.720516      0.916818      0.049502
  H      -8.553346     -0.376273     -0.107315
  H      -6.740200      0.111864      1.546590
  N      -4.826480      2.082965      3.675147
  H      -5.489035      2.273578      2.919364
100
Coordinates from ORCA-job orca E -6429.522123313766
  N      -3.091283      0.082297      5.120347
  Mo     -3.810303      1.942365      5.128813
  N      -4.983603      2.214132      6.706975
  C      -4.412116      2.501837      8.017409
  C      -3.128973      1.691926      8.178949
  N      -2.281161      1.884967      6.982199
  C      -1.372847      0.750629      6.716092
  C      -2.145290     -0.405383      6.111791
  C      -1.539942      3.168037      7.001783
  C      -1.462910      3.664109      5.556289
  N      -2.791869      3.737973      4.979165
  H      -1.418439     -1.112260      5.667063
  H      -2.682047     -0.976077      6.899327
  H      -0.630211      1.103560      5.987642
  H      -0.835250      0.441084      7.632408
  H      -0.959257      4.649143      5.519748
  H      -0.842866      2.965542      4.967232
  H      -2.112525      3.888839      7.602068
  H      -0.550777      3.040868      7.479968
  H      -5.121598      2.217681      8.816643
  H      -4.204135      3.582318      8.157224
  H      -3.389992      0.625568      8.231302
  H      -2.581207      1.962650      9.100696
  C      -3.597221     -0.998823      4.271769
  C      -2.650799     -1.330704      3.104538
  C      -2.713935     -0.301259      1.993356
  O      -3.970635     -0.542796      1.294879
  C      -4.319302      0.087076      0.157591
  C      -5.239679     -0.583996     -0.642987
  C      -5.735363      0.016520     -1.808216
  N      -5.390808      1.223355     -2.242099
  C      -4.486053      1.900338     -1.479595
  C      -4.102180      3.202609     -1.885689
  C      -3.216836      3.922218     -1.118295
  C      -2.707778      3.334017      0.060807
  N      -3.025192      2.120875      0.478988
  C      -3.903346      1.394978     -0.264971
  C      -3.462510      5.001384      5.253973
  C      -4.649326      5.270700      4.329074
  C      -4.211094      5.489604      2.885635
  O      -5.170001      5.031109      1.901776
  C      -6.351867      5.653803      1.794647
  C      -6.746534      6.791742      2.487323
  C      -8.037576      7.316184      2.273802
  N      -8.939785      6.826178      1.437874
  C      -8.554738      5.730957      0.714904
  C      -9.449963      5.184407     -0.237053
  C      -9.053577      4.105954     -0.994475
  C      -7.766369      3.558452     -0.787632
  N      -6.905334      4.019774      0.105697
  C      -7.279118      5.096125      0.846109
  C      -6.438698      2.273026      6.637391
  C      -6.997311      3.716458      6.647612
  C      -8.291576      3.874987      5.863888
  O      -8.060683      3.327525      4.549028
  C      -9.094273      3.217981      3.697623
  C     -10.297203      3.900860      3.793170
  C     -11.289416      3.676234      2.816162
  N     -11.193982      2.824585      1.806278
  C     -10.023734      2.125931      1.711973
  C      -9.868894      1.167129      0.680397
  C      -8.694695      0.451106      0.592147
  C      -7.671341      0.697698      1.533469
  N      -7.769311      1.583733      2.512494
  C      -8.924487      2.291978      2.612697
  H      -3.748698     -1.901975      4.893587
  H      -4.579583     -0.719931      3.870653
  H      -1.613478     -1.381576      3.472667
  H      -2.893090     -2.323826      2.692959
  H      -1.891383     -0.423927      1.271892
  H      -2.695198      0.723938      2.377661
  H      -5.572196     -1.579017     -0.344488
  H      -6.459852     -0.530310     -2.420594
  H      -4.540845      3.601350     -2.801588
  H      -2.912603      4.931740     -1.397662
  H      -2.002531      3.890186      0.686779
  H      -2.725736      5.823612      5.139793
  H      -3.830309      5.076451      6.302497
  H      -5.205175      6.131500      4.725819
  H      -5.327048      4.405842      4.346953
  H      -3.332154      4.864128      2.686230
  H      -3.960343      6.544564      2.680871
  H      -6.084816      7.286234      3.194368
  H      -8.338344      8.205044      2.839162
  H     -10.434219      5.642594     -0.343604
  H      -9.718112      3.662611     -1.737417
  H      -7.430279      2.705581     -1.384343
  H      -6.880412      1.698646      7.475233
  H      -6.746585      1.790554      5.702906
  H      -6.239524      4.383597      6.215664
  H      -7.181519      4.067835      7.675298
  H      -8.571048      4.938472      5.790433
  H      -9.126980      3.322553      6.328137
  H     -10.486466      4.615436      4.592906
  H     -12.225660      4.239823      2.884689
  H     -10.694028      1.023265     -0.018946
  H      -8.540727     -0.291060     -0.192328
  H      -6.731597      0.140849      1.479630
  N      -4.835173      2.034419      3.695335
  H      -5.531994      2.205112      2.965150
100
Coordinates from ORCA-job orca E -6429.522639446274
  N      -3.084478      0.066201      5.128311
  Mo     -3.819943      1.918843      5.133335
  N      -4.976233      2.196446      6.724538
  C      -4.391519      2.496387      8.025604
  C      -3.101723      1.696700      8.179162
  N      -2.267490      1.885926      6.973078
  C      -1.355676      0.755072      6.704446
  C      -2.128923     -0.409352      6.116611
  C      -1.534234      3.174316      6.974699
  C      -1.483050      3.664082      5.524831
  N      -2.820646      3.724972      4.967301
  H      -1.404643     -1.118942      5.671256
  H      -2.655569     -0.976656      6.913319
  H      -0.624177      1.107493      5.964500
  H      -0.804860      0.454466      7.616101
  H      -0.984615      4.650913      5.474222
  H      -0.868186      2.963596      4.931985
  H      -2.101548      3.893262      7.582365
  H      -0.536370      3.055182      7.436440
  H      -5.091019      2.212456      8.834044
  H      -4.190497      3.579011      8.159433
  H      -3.353737      0.628828      8.243398
  H      -2.546390      1.979126      9.093008
  C      -3.578744     -1.025900      4.284004
  C      -2.631790     -1.347102      3.115355
  C      -2.701218     -0.316199      2.006182
  O      -3.951749     -0.565104      1.300188
  C      -4.301253      0.076915      0.170065
  C      -5.215428     -0.590567     -0.641131
  C      -5.711294      0.020313     -1.801082
  N      -5.372928      1.233893     -2.220481
  C      -4.474657      1.907974     -1.448288
  C      -4.096324      3.216530     -1.839221
  C      -3.217842      3.932557     -1.061143
  C      -2.709941      3.335085      0.113792
  N      -3.021385      2.115873      0.517383
  C      -3.892647      1.392434     -0.237189
  C      -3.498274      4.984133      5.241368
  C      -4.685969      5.244125      4.314669
  C      -4.247640      5.469750      2.872602
  O      -5.202926      5.010995      1.886867
  C      -6.384031      5.632496      1.773371
  C      -6.789374      6.761758      2.474081
  C      -8.078257      7.287280      2.249506
  N      -8.968058      6.806695      1.395652
  C      -8.572835      5.719754      0.665915
  C      -9.454475      5.184679     -0.305047
  C      -9.047919      4.114882     -1.069092
  C      -7.764520      3.563972     -0.849033
  N      -6.915861      4.015194      0.060981
  C      -7.299155      5.083459      0.808022
  C      -6.431687      2.261667      6.670837
  C      -6.978988      3.708279      6.668983
  C      -8.272748      3.873323      5.887909
  O      -8.051586      3.316796      4.576036
  C      -9.081067      3.236574      3.718744
  C     -10.276178      3.931461      3.821276
  C     -11.267948      3.734893      2.837279
  N     -11.180931      2.896543      1.816058
  C     -10.019569      2.183747      1.715369
  C      -9.877045      1.234463      0.673341
  C      -8.713039      0.502927      0.577940
  C      -7.685519      0.729622      1.519607
  N      -7.772931      1.606198      2.507890
  C      -8.919680      2.325782      2.618778
  H      -3.715438     -1.928808      4.908863
  H      -4.566355     -0.760166      3.886255
  H      -1.593071     -1.393148      3.479983
  H      -2.868107     -2.340631      2.700636
  H      -1.874443     -0.429398      1.287987
  H      -2.692342      0.708209      2.393244
  H      -5.542727     -1.590709     -0.354239
  H      -6.430512     -0.523865     -2.421999
  H      -4.534191      3.623132     -2.751992
  H      -2.918621      4.946775     -1.328755
  H      -2.010509      3.889327      0.747979
  H      -2.768482      5.812437      5.125837
  H      -3.864012      5.056334      6.290462
  H      -5.248125      6.101071      4.711803
  H      -5.359635      4.375169      4.332139
  H      -3.365502      4.849123      2.671759
  H      -4.001636      6.526738      2.673117
  H      -6.137705      7.248805      3.195442
  H      -8.387415      8.168376      2.822591
  H     -10.436911      5.644683     -0.419956
  H      -9.701490      3.680251     -1.826877
  H      -7.419835      2.715165     -1.446705
  H      -6.868128      1.700265      7.520238
  H      -6.751161      1.767391      5.745907
  H      -6.216316      4.364761      6.228494
  H      -7.157625      4.072836      7.693139
  H      -8.542377      4.939058      5.810567
  H      -9.112578      3.330241      6.355395
  H     -10.463280      4.632547      4.633335
  H     -12.196607      4.310092      2.912544
  H     -10.703307      1.110385     -0.028303
  H      -8.567664     -0.232449     -0.214399
  H      -6.751366      0.164732      1.456234
  N      -4.871047      1.990586      3.718837
  H      -5.609371      2.140343      3.023601
100
Coordinates from ORCA-job orca E -6429.523251534976
  N      -3.071533      0.049538      5.136561
  Mo     -3.829232      1.892929      5.140895
  N      -4.966613      2.172167      6.746437
  C      -4.369754      2.484904      8.038370
  C      -3.069043      1.701971      8.181792
  N      -2.251352      1.889618      6.964991
  C      -1.333265      0.765210      6.694239
  C      -2.102903     -0.410503      6.121672
  C      -1.531459      3.185291      6.946201
  C      -1.506437      3.666109      5.492372
  N      -2.852865      3.710662      4.953813
  H      -1.378163     -1.119003      5.675655
  H      -2.617384     -0.977496      6.926428
  H      -0.613756      1.117736      5.942252
  H      -0.767935      0.475654      7.600639
  H      -1.014269      4.655252      5.428238
  H      -0.894450      2.965856      4.896050
  H      -2.095328      3.902116      7.559593
  H      -0.524145      3.079124      7.390781
  H      -5.055291      2.196633      8.857513
  H      -4.180449      3.570769      8.165219
  H      -3.308421      0.631946      8.259786
  H      -2.507860      1.998998      9.087580
  C      -3.554499     -1.053904      4.298804
  C      -2.607411     -1.366037      3.128785
  C      -2.685990     -0.336583      2.019508
  O      -3.932174     -0.597908      1.311033
  C      -4.288019      0.057210      0.189773
  C      -5.193572     -0.609148     -0.632526
  C      -5.692992      0.012803     -1.785829
  N      -5.365581      1.234456     -2.188619
  C      -4.476416      1.908036     -1.405288
  C      -4.108749      3.224474     -1.779816
  C      -3.239574      3.939164     -0.990531
  C      -2.730701      3.332334      0.179437
  N      -3.031322      2.105829      0.566894
  C      -3.893433      1.382559     -0.198879
  C      -3.538482      4.966471      5.223476
  C      -4.725527      5.217921      4.293214
  C      -4.286620      5.447524      2.852682
  O      -5.240601      4.985855      1.868903
  C      -6.417972      5.611564      1.744741
  C      -6.829700      6.736402      2.449088
  C      -8.112565      7.270512      2.208178
  N      -8.989222      6.801741      1.334870
  C      -8.588368      5.716945      0.604613
  C      -9.455728      5.195460     -0.386160
  C      -9.043789      4.126211     -1.148971
  C      -7.770456      3.562154     -0.905617
  N      -6.933922      4.002601      0.020912
  C      -7.321743      5.071102      0.764958
  C      -6.422528      2.238072      6.703648
  C      -6.967422      3.684707      6.704414
  C      -8.258647      3.853852      5.922186
  O      -8.034816      3.311474      4.605193
  C      -9.060086      3.259706      3.740168
  C     -10.249021      3.963653      3.853949
  C     -11.241129      3.798425      2.863296
  N     -11.160472      2.979040      1.826864
  C     -10.005512      2.256834      1.714410
  C      -9.873772      1.323464      0.657013
  C      -8.716817      0.582901      0.546191
  C      -7.683308      0.790411      1.485516
  N      -7.762225      1.650353      2.489266
  C      -8.904515      2.373245      2.619559
  H      -3.673552     -1.957496      4.925706
  H      -4.547395     -0.802894      3.904709
  H      -1.566911     -1.404281      3.489568
  H      -2.835646     -2.362041      2.714298
  H      -1.857281     -0.439231      1.302017
  H      -2.689267      0.687442      2.409495
  H      -5.511362     -1.616250     -0.359747
  H      -6.404749     -0.530510     -2.416431
  H      -4.547304      3.638433     -2.688958
  H      -2.948990      4.959294     -1.245240
  H      -2.039111      3.885973      0.822911
  H      -2.816332      5.801259      5.106592
  H      -3.905571      5.037647      6.271883
  H      -5.295519      6.071573      4.687738
  H      -5.393538      4.344545      4.309194
  H      -3.401467      4.831295      2.651166
  H      -4.045942      6.505878      2.654504
  H      -6.187505      7.214164      3.185326
  H      -8.426830      8.147548      2.785044
  H     -10.431571      5.665292     -0.517182
  H      -9.685110      3.702461     -1.923246
  H      -7.422138      2.709525     -1.497130
  H      -6.853693      1.678595      7.557248
  H      -6.748106      1.741147      5.781954
  H      -6.204247      4.339481      6.262589
  H      -7.143517      4.050809      7.728415
  H      -8.528848      4.920454      5.852429
  H      -9.101241      3.307451      6.381104
  H     -10.433717      4.646552      4.681709
  H     -12.163411      4.382494      2.948665
  H     -10.702886      1.219713     -0.044634
  H      -8.579401     -0.141298     -0.257758
  H      -6.750820      0.225561      1.405409
  N      -4.911413      1.937446      3.749540
  H      -5.697131      2.060733      3.098221
100
Coordinates from ORCA-job orca E -6429.523790652737
  N      -3.057670      0.036013      5.145495
  Mo     -3.835645      1.871623      5.148955
  N      -4.955574      2.150167      6.767389
  C      -4.348808      2.477957      8.050478
  C      -3.037390      1.711434      8.185799
  N      -2.235546      1.896127      6.958661
  C      -1.312108      0.777496      6.687367
  C      -2.077523     -0.408503      6.128766
  C      -1.529182      3.198152      6.919800
  C      -1.528407      3.669628      5.463119
  N      -2.882808      3.699591      4.942189
  H      -1.350773     -1.115034      5.684026
  H      -2.582836     -0.973180      6.940832
  H      -0.602413      1.128369      5.924908
  H      -0.735024      0.498970      7.589700
  H      -1.043350      4.661735      5.387948
  H      -0.918447      2.971705      4.862212
  H      -2.089702      3.914282      7.536949
  H      -0.513381      3.105489      7.348531
  H      -5.020517      2.187270      8.880250
  H      -4.170407      3.567166      8.166495
  H      -3.264818      0.639788      8.278023
  H      -2.471722      2.023619      9.083685
  C      -3.530896     -1.075722      4.314072
  C      -2.581882     -1.383028      3.144202
  C      -2.667254     -0.356367      2.032985
  O      -3.909938     -0.630428      1.323285
  C      -4.275265      0.031141      0.208152
  C      -5.175506     -0.637890     -0.617932
  C      -5.684129     -0.010403     -1.764634
  N      -5.368975      1.217043     -2.158148
  C      -4.483493      1.892539     -1.371743
  C      -4.126558      3.214109     -1.738848
  C      -3.260671      3.930181     -0.947385
  C      -2.745472      3.319283      0.217916
  N      -3.036058      2.088440      0.598013
  C      -3.894343      1.363057     -0.170553
  C      -3.577556      4.950196      5.213020
  C      -4.766535      5.192645      4.282221
  C      -4.326706      5.434798      2.844562
  O      -5.276929      4.973764      1.857867
  C      -6.451406      5.603266      1.725360
  C      -6.872362      6.717717      2.440790
  C      -8.150749      7.258041      2.188230
  N      -9.014072      6.803121      1.294433
  C      -8.604038      5.727170      0.555650
  C      -9.456480      5.220861     -0.455557
  C      -9.034722      4.159665     -1.225411
  C      -7.767135      3.588932     -0.967629
  N      -6.944078      4.016092     -0.023011
  C      -7.341491      5.076682      0.726954
  C      -6.411979      2.212133      6.733803
  C      -6.959077      3.658123      6.736426
  C      -8.246851      3.827397      5.948861
  O      -8.017638      3.294262      4.628377
  C      -9.039102      3.272368      3.755374
  C     -10.219820      3.989444      3.878382
  C     -11.210296      3.858510      2.880289
  N     -11.135879      3.058505      1.828784
  C      -9.990001      2.322954      1.707223
  C      -9.869243      1.405935      0.634691
  C      -8.722361      0.651844      0.511967
  C      -7.685855      0.833721      1.452659
  N      -7.755077      1.677008      2.471687
  C      -8.890193      2.408496      2.617095
  H      -3.636650     -1.979855      4.942759
  H      -4.527174     -0.837333      3.921314
  H      -1.541054     -1.412824      3.505122
  H      -2.801997     -2.382179      2.732423
  H      -1.836994     -0.450543      1.316306
  H      -2.681673      0.667536      2.424154
  H      -5.483616     -1.649999     -0.352886
  H      -6.392508     -0.555139     -2.398108
  H      -4.570254      3.630860     -2.644188
  H      -2.978253      4.954047     -1.196226
  H      -2.057006      3.873735      0.864220
  H      -2.863733      5.792129      5.096899
  H      -3.946468      5.017774      6.261003
  H      -5.348665      6.037994      4.677748
  H      -5.423235      4.310910      4.291706
  H      -3.436840      4.826482      2.639883
  H      -4.093538      6.496084      2.653156
  H      -6.241059      7.182598      3.194812
  H      -8.472878      8.126429      2.773843
  H     -10.428572      5.695681     -0.596805
  H      -9.663356      3.748140     -2.016393
  H      -7.411007      2.740800     -1.562333
  H      -6.836799      1.652766      7.590942
  H      -6.742051      1.714035      5.814764
  H      -6.196079      4.313519      6.295901
  H      -7.136158      4.023419      7.760362
  H      -8.518007      4.894295      5.881543
  H      -9.092561      3.279652      6.400446
  H     -10.399976      4.655529      4.720555
  H     -12.124613      4.453794      2.973187
  H     -10.699128      1.326609     -0.069394
  H      -8.594081     -0.061538     -0.303004
  H      -6.758087      0.263734      1.360219
  N      -4.943647      1.891267      3.777784
  H      -5.768993      1.990260      3.167724
100
Coordinates from ORCA-job orca E -6429.524258127477
  N      -3.045467      0.027452      5.149948
  Mo     -3.843554      1.855615      5.157896
  N      -4.950123      2.127343      6.787675
  C      -4.337297      2.465103      8.064908
  C      -3.016906      1.712597      8.192739
  N      -2.227345      1.898696      6.958466
  C      -1.297960      0.786911      6.683797
  C      -2.057180     -0.406016      6.131478
  C      -1.534607      3.206883      6.906097
  C      -1.551590      3.672322      5.448153
  N      -2.910860      3.689701      4.938346
  H      -1.326273     -1.107672      5.686963
  H      -2.556522     -0.970794      6.947134
  H      -0.594950      1.139791      5.915862
  H      -0.712973      0.515183      7.583015
  H      -1.075061      4.668441      5.366865
  H      -0.940718      2.979035      4.843296
  H      -2.094391      3.921440      7.525597
  H      -0.512875      3.126687      7.323807
  H      -4.998279      2.169703      8.901597
  H      -4.169188      3.556841      8.174532
  H      -3.233671      0.639381      8.293044
  H      -2.448732      2.035146      9.085358
  C      -3.508038     -1.088032      4.319853
  C      -2.552701     -1.390817      3.152877
  C      -2.641244     -0.365856      2.040301
  O      -3.881050     -0.651063      1.330043
  C      -4.260041      0.010230      0.219104
  C      -5.166590     -0.661991     -0.597404
  C      -5.691643     -0.034909     -1.736802
  N      -5.384965      1.193809     -2.133058
  C      -4.490488      1.870784     -1.357607
  C      -4.138384      3.191954     -1.731097
  C      -3.262797      3.909635     -0.951752
  C      -2.734330      3.300496      0.208587
  N      -3.020384      2.070272      0.594227
  C      -3.886768      1.342913     -0.163556
  C      -3.614190      4.936401      5.207353
  C      -4.807968      5.166561      4.278754
  C      -4.368881      5.417820      2.842531
  O      -5.316031      4.957491      1.852452
  C      -6.485495      5.594811      1.709652
  C      -6.910332      6.703985      2.430954
  C      -8.182465      7.253684      2.166632
  N      -9.035770      6.812272      1.256135
  C      -8.620850      5.741614      0.511913
  C      -9.461426      5.249218     -0.515974
  C      -9.034160      4.192604     -1.289943
  C      -7.772803      3.613110     -1.020165
  N      -6.961314      4.027414     -0.059945
  C      -7.364353      5.082963      0.694249
  C      -6.407146      2.186657      6.762340
  C      -6.956008      3.633018      6.774109
  C      -8.242258      3.806727      5.984028
  O      -8.007819      3.284361      4.658704
  C      -9.025260      3.285243      3.778355
  C     -10.200481      4.011993      3.903421
  C     -11.183479      3.908130      2.894825
  N     -11.106685      3.126004      1.830135
  C      -9.966792      2.381569      1.706356
  C      -9.845311      1.482794      0.618733
  C      -8.704299      0.720825      0.491792
  C      -7.674099      0.876994      1.443272
  N      -7.744117      1.701391      2.478021
  C      -8.874753      2.439782      2.627884
  H      -3.606660     -1.993312      4.948802
  H      -4.505394     -0.859337      3.924826
  H      -1.513407     -1.411964      3.519013
  H      -2.763478     -2.392639      2.742934
  H      -1.809238     -0.454055      1.324963
  H      -2.664477      0.657867      2.431439
  H      -5.469119     -1.674988     -0.329334
  H      -6.406873     -0.581154     -2.361367
  H      -4.593265      3.607109     -2.631591
  H      -2.983678      4.933157     -1.205565
  H      -2.039021      3.855933      0.846818
  H      -2.907017      5.783305      5.087694
  H      -3.982832      5.004820      6.255505
  H      -5.401593      6.003630      4.674849
  H      -5.452276      4.275929      4.284355
  H      -3.475512      4.815486      2.635488
  H      -4.140571      6.481160      2.655695
  H      -6.287037      7.157356      3.198682
  H      -8.508370      8.117692      2.756546
  H     -10.429010      5.730554     -0.666387
  H      -9.653603      3.791634     -2.093410
  H      -7.411833      2.767880     -1.617234
  H      -6.826260      1.622991      7.619684
  H      -6.742088      1.693064      5.843346
  H      -6.193402      4.290844      6.337376
  H      -7.132404      3.992220      7.800140
  H      -8.513769      4.873908      5.923229
  H      -9.089764      3.256076      6.428464
  H     -10.380124      4.665855      4.755104
  H     -12.092545      4.511150      2.988987
  H     -10.669817      1.425423     -0.093910
  H      -8.575989      0.020274     -0.334218
  H      -6.750221      0.302069      1.346962
  N      -4.967728      1.860127      3.799198
  H      -5.819971      1.943420      3.219547
100
Coordinates from ORCA-job orca E -6429.524670878376
  N      -3.037103      0.018966      5.156820
  Mo     -3.850513      1.842254      5.169458
  N      -4.947601      2.108770      6.806912
  C      -4.331428      2.460514      8.078817
  C      -3.005075      1.717249      8.205031
  N      -2.224773      1.898377      6.964650
  C      -1.293214      0.789074      6.689744
  C      -2.049061     -0.407324      6.142144
  C      -1.540085      3.209489      6.897522
  C      -1.566693      3.664807      5.437280
  N      -2.928464      3.674584      4.933276
  H      -1.314407     -1.107964      5.703172
  H      -2.551056     -0.966622      6.959979
  H      -0.592378      1.140936      5.919309
  H      -0.705217      0.521753      7.588287
  H      -1.096111      4.663597      5.349460
  H      -0.955530      2.973143      4.831399
  H      -2.099573      3.927170      7.513606
  H      -0.515328      3.139308      7.310117
  H      -4.985299      2.166481      8.921361
  H      -4.169950      3.554382      8.176678
  H      -3.215428      0.643711      8.315168
  H      -2.434475      2.050354      9.092146
  C      -3.486560     -1.095299      4.321628
  C      -2.520350     -1.387488      3.158955
  C      -2.612119     -0.358736      2.049908
  O      -3.846196     -0.655315      1.334571
  C      -4.240431      0.003343      0.228203
  C      -5.157894     -0.672116     -0.573073
  C      -5.700486     -0.048949     -1.705938
  N      -5.400387      1.179095     -2.110423
  C      -4.492566      1.857389     -1.351281
  C      -4.144097      3.176172     -1.736374
  C      -3.253809      3.895836     -0.975415
  C      -2.707483      3.290599      0.178744
  N      -2.990783      2.062758      0.575549
  C      -3.870879      1.333934     -0.164963
  C      -3.636281      4.920192      5.196657
  C      -4.836116      5.137156      4.271977
  C      -4.400484      5.398074      2.836239
  O      -5.348748      4.943784      1.843145
  C      -6.511219      5.594065      1.695442
  C      -6.931994      6.700502      2.423388
  C      -8.198333      7.261663      2.156059
  N      -9.049806      6.834573      1.236289
  C      -8.636829      5.768854      0.483767
  C      -9.473900      5.290967     -0.553918
  C      -9.047628      4.239723     -1.335821
  C      -7.790086      3.651294     -1.065980
  N      -6.983050      4.051197     -0.096014
  C      -7.385812      5.100415      0.667351
  C      -6.405371      2.164414      6.790194
  C      -6.956470      3.611791      6.798934
  C      -8.242631      3.784939      6.006803
  O      -8.006594      3.260181      4.681258
  C      -9.020357      3.280466      3.794844
  C     -10.185476      4.025001      3.914727
  C     -11.160285      3.942910      2.897112
  N     -11.083920      3.169037      1.825889
  C      -9.953738      2.409777      1.706310
  C      -9.832781      1.521957      0.609584
  C      -8.700156      0.747357      0.485721
  C      -7.679091      0.876736      1.450186
  N      -7.748860      1.687918      2.496013
  C      -8.871150      2.441407      2.641058
  H      -3.582742     -2.004516      4.946264
  H      -4.482827     -0.873610      3.920574
  H      -1.484562     -1.397583      3.535440
  H      -2.717860     -2.390423      2.746184
  H      -1.776026     -0.435299      1.338166
  H      -2.647707      0.662951      2.444723
  H      -5.456500     -1.684315     -0.297635
  H      -6.425665     -0.597284     -2.317012
  H      -4.613128      3.587612     -2.631299
  H      -2.976425      4.917363     -1.238809
  H      -2.000577      3.846724      0.803613
  H      -2.931660      5.768020      5.070207
  H      -4.003845      4.994738      6.245003
  H      -5.440400      5.965025      4.670173
  H      -5.466747      4.236685      4.274236
  H      -3.506106      4.799037      2.623408
  H      -4.173602      6.462944      2.655253
  H      -6.310534      7.142055      3.199245
  H      -8.522010      8.123264      2.750487
  H     -10.438143      5.778758     -0.705269
  H      -9.665186      3.849710     -2.146113
  H      -7.429297      2.811415     -1.670664
  H      -6.817287      1.603777      7.652890
  H      -6.747087      1.668221      5.875692
  H      -6.193817      4.268219      6.360301
  H      -7.131939      3.971826      7.824652
  H      -8.512492      4.852071      5.943371
  H      -9.090927      3.236213      6.451663
  H     -10.359553      4.677554      4.768596
  H     -12.061617      4.558084      2.986218
  H     -10.650035      1.485158     -0.112783
  H      -8.572476      0.055224     -0.347462
  H      -6.762217      0.290100      1.356761
  N      -4.980730      1.839790      3.814834
  H      -5.847133      1.926048      3.252948
100
Coordinates from ORCA-job orca E -6429.524972556729
  N      -3.030696      0.004204      5.165312
  Mo     -3.862024      1.818045      5.177507
  N      -4.947864      2.085847      6.823810
  C      -4.322876      2.448880      8.088179
  C      -2.992314      1.713184      8.208426
  N      -2.221670      1.894007      6.962427
  C      -1.283992      0.790168      6.682130
  C      -2.036327     -0.412260      6.145509
  C      -1.546070      3.210106      6.882764
  C      -1.589992      3.656963      5.418990
  N      -2.954641      3.654170      4.925933
  H      -1.300811     -1.111512      5.704168
  H      -2.529022     -0.970197      6.969945
  H      -0.591890      1.147389      5.906835
  H      -0.687394      0.528259      7.577019
  H      -1.129074      4.658629      5.318006
  H      -0.979887      2.962791      4.814241
  H      -2.105488      3.926428      7.500823
  H      -0.518157      3.147914      7.287733
  H      -4.971856      2.156318      8.935189
  H      -4.167839      3.543670      8.182698
  H      -3.193583      0.638569      8.323162
  H      -2.415102      2.053527      9.088582
  C      -3.467442     -1.115388      4.328382
  C      -2.498818     -1.393306      3.165053
  C      -2.597747     -0.356638      2.063915
  O      -3.825670     -0.656725      1.340579
  C      -4.227833      0.007714      0.242223
  C      -5.157783     -0.661060     -0.550780
  C      -5.709322     -0.034444     -1.676625
  N      -5.409102      1.193890     -2.082151
  C      -4.490410      1.866167     -1.332147
  C      -4.140500      3.184320     -1.717644
  C      -3.237057      3.897564     -0.966411
  C      -2.677819      3.287623      0.178729
  N      -2.962582      2.060042      0.576579
  C      -3.855806      1.337718     -0.153959
  C      -3.667711      4.897164      5.185503
  C      -4.872589      5.102476      4.265247
  C      -4.442236      5.366613      2.827822
  O      -5.390525      4.916802      1.831965
  C      -6.547579      5.574516      1.677498
  C      -6.966201      6.683660      2.402538
  C      -8.225110      7.254818      2.123901
  N      -9.071557      6.838390      1.195092
  C      -8.660571      5.771836      0.443704
  C      -9.490752      5.306068     -0.605392
  C      -9.066025      4.255868     -1.387701
  C      -7.817209      3.654022     -1.107742
  N      -7.017738      4.042050     -0.127109
  C      -7.417623      5.091173      0.638308
  C      -6.405408      2.151163      6.823603
  C      -6.941803      3.603518      6.817907
  C      -8.228965      3.789972      6.031543
  O      -8.004630      3.255744      4.708376
  C      -9.007962      3.295740      3.814459
  C     -10.168669      4.046671      3.929444
  C     -11.133135      3.979203      2.902025
  N     -11.053286      3.213772      1.824886
  C      -9.926851      2.449339      1.707666
  C      -9.801684      1.570882      0.603372
  C      -8.671785      0.791924      0.482323
  C      -7.658494      0.906640      1.456519
  N      -7.733531      1.707406      2.509565
  C      -8.852372      2.466546      2.652218
  H      -3.557962     -2.023556      4.954936
  H      -4.465669     -0.901713      3.926745
  H      -1.462888     -1.399921      3.540600
  H      -2.690858     -2.393548      2.743944
  H      -1.757340     -0.421810      1.355947
  H      -2.641632      0.662613      2.462845
  H      -5.456994     -1.672639     -0.273566
  H      -6.443089     -0.578717     -2.280515
  H      -4.618995      3.600086     -2.605454
  H      -2.958124      4.918261     -1.231256
  H      -1.959754      3.839349      0.794474
  H      -2.965967      5.745944      5.049912
  H      -4.026323      4.975482      6.236437
  H      -5.478967      5.926847      4.666920
  H      -5.499235      4.198996      4.273049
  H      -3.548376      4.767746      2.611556
  H      -4.214238      6.432006      2.651595
  H      -6.348097      7.120229      3.183315
  H      -8.546874      8.118094      2.716821
  H     -10.449081      5.802779     -0.764005
  H      -9.679064      3.875266     -2.206186
  H      -7.457005      2.814348     -1.711355
  H      -6.811591      1.606325      7.698542
  H      -6.761124      1.642507      5.921085
  H      -6.171631      4.247834      6.372684
  H      -7.112188      3.974847      7.840675
  H      -8.485057      4.859784      5.968920
  H      -9.080368      3.250146      6.481368
  H     -10.349032      4.692830      4.786982
  H     -12.031633      4.598676      2.989633
  H     -10.612641      1.544021     -0.125967
  H      -8.539130      0.108385     -0.357077
  H      -6.745020      0.313952      1.364628
  N      -5.002444      1.802956      3.831754
  H      -5.881979      1.881179      3.290840
100
Coordinates from ORCA-job orca E -6429.525278081717
  N      -3.032235     -0.006777      5.173810
  Mo     -3.873627      1.803876      5.188728
  N      -4.947868      2.074592      6.841898
  C      -4.315714      2.453920      8.098552
  C      -2.981465      1.724014      8.217105
  N      -2.221410      1.894001      6.963597
  C      -1.284899      0.788699      6.686315
  C      -2.038676     -0.416863      6.158338
  C      -1.549289      3.210322      6.866131
  C      -1.600186      3.642065      5.398707
  N      -2.967850      3.634294      4.912470
  H      -1.303051     -1.119391      5.722858
  H      -2.533244     -0.967421      6.986513
  H      -0.594421      1.140953      5.907230
  H      -0.685538      0.531645      7.580788
  H      -1.140522      4.643126      5.286293
  H      -0.992940      2.943541      4.796278
  H      -2.108023      3.932481      7.478019
  H      -0.519593      3.155422      7.267866
  H      -4.957153      2.168220      8.953509
  H      -4.163932      3.550322      8.177652
  H      -3.179390      0.650151      8.344733
  H      -2.399186      2.075343      9.089526
  C      -3.457807     -1.125420      4.331563
  C      -2.480037     -1.391668      3.172248
  C      -2.580775     -0.349719      2.076272
  O      -3.801026     -0.657119      1.343885
  C      -4.210333      0.013820      0.252737
  C      -5.149567     -0.648641     -0.534746
  C      -5.707843     -0.016169     -1.653949
  N      -5.407503      1.212810     -2.057191
  C      -4.479098      1.878297     -1.313087
  C      -4.127499      3.196255     -1.697623
  C      -3.210004      3.901596     -0.956032
  C      -2.638373      3.283594      0.178723
  N      -2.926375      2.056749      0.576985
  C      -3.833993      1.342583     -0.143848
  C      -3.680006      4.880965      5.159269
  C      -4.887799      5.075054      4.240453
  C      -4.461044      5.339775      2.802476
  O      -5.415762      4.895660      1.809787
  C      -6.566437      5.565046      1.656906
  C      -6.978180      6.671222      2.390410
  C      -8.233280      7.252544      2.115868
  N      -9.082486      6.848045      1.184121
  C      -8.677373      5.785483      0.423937
  C      -9.510591      5.331746     -0.627937
  C      -9.090747      4.286536     -1.419687
  C      -7.843323      3.678318     -1.147293
  N      -7.041747      4.054250     -0.163628
  C      -7.437709      5.097045      0.612072
  C      -6.405519      2.139917      6.851157
  C      -6.941110      3.593140      6.832932
  C      -8.228377      3.775595      6.046029
  O      -8.006363      3.232891      4.726128
  C      -9.006129      3.286046      3.828375
  C     -10.160161      4.047659      3.942443
  C     -11.120542      3.994942      2.910489
  N     -11.041834      3.236027      1.828515
  C      -9.921158      2.463288      1.711057
  C      -9.797144      1.592807      0.600275
  C      -8.672092      0.806838      0.478383
  C      -7.663434      0.904725      1.458720
  N      -7.738607      1.696021      2.519292
  C      -8.852138      2.463007      2.662064
  H      -3.546776     -2.037734      4.952377
  H      -4.454323     -0.915466      3.923802
  H      -1.446917     -1.390876      3.555554
  H      -2.661154     -2.391476      2.745479
  H      -1.735210     -0.401707      1.373634
  H      -2.637160      0.666733      2.481583
  H      -5.450746     -1.659964     -0.258879
  H      -6.448639     -0.555880     -2.253434
  H      -4.614946      3.617700     -2.577789
  H      -2.928255      4.921457     -1.221157
  H      -1.907739      3.827841      0.786328
  H      -2.977735      5.727203      5.011869
  H      -4.036274      4.972242      6.210006
  H      -5.501411      5.894960      4.640203
  H      -5.504894      4.164984      4.250182
  H      -3.570083      4.738433      2.581095
  H      -4.229968      6.404469      2.626562
  H      -6.358368      7.096826      3.175948
  H      -8.550556      8.112716      2.715711
  H     -10.466977      5.833751     -0.781775
  H      -9.706101      3.915981     -2.241048
  H      -7.486620      2.843353     -1.759616
  H      -6.804168      1.605892      7.735988
  H      -6.769433      1.621294      5.957324
  H      -6.170162      4.231410      6.380478
  H      -7.109615      3.973116      7.852723
  H      -8.481394      4.845736      5.974890
  H      -9.081105      3.241819      6.500413
  H     -10.336868      4.691197      4.802621
  H     -12.014307      4.621317      2.997239
  H     -10.604711      1.578171     -0.133118
  H      -8.540378      0.129532     -0.366150
  H      -6.753400      0.306486      1.366639
  N      -5.023531      1.780026      3.850948
  H      -5.917364      1.866492      3.331402
100
Coordinates from ORCA-job orca E -6429.525510158206
  N      -3.023231     -0.019462      5.180917
  Mo     -3.882506      1.783322      5.197435
  N      -4.953595      2.052145      6.852717
  C      -4.320559      2.444018      8.106057
  C      -2.981683      1.724093      8.226503
  N      -2.226663      1.891099      6.970156
  C      -1.284448      0.789363      6.698206
  C      -2.031964     -0.421352      6.171633
  C      -1.564103      3.210635      6.861374
  C      -1.612604      3.627210      5.390184
  N      -2.979726      3.607631      4.901000
  H      -1.291580     -1.122280      5.742028
  H      -2.527084     -0.970295      7.000366
  H      -0.592172      1.142382      5.921138
  H      -0.686869      0.537063      7.595219
  H      -1.159003      4.629852      5.269729
  H      -0.999922      2.927216      4.795100
  H      -2.131457      3.934789      7.462896
  H      -0.535897      3.167750      7.268475
  H      -4.958515      2.160680      8.964336
  H      -4.175688      3.541916      8.175428
  H      -3.172999      0.649791      8.360811
  H      -2.399571      2.084329      9.095326
  C      -3.431972     -1.136627      4.329241
  C      -2.443122     -1.382923      3.174652
  C      -2.553438     -0.334965      2.084944
  O      -3.764501     -0.656279      1.344497
  C      -4.188974      0.021197      0.263756
  C      -5.140617     -0.636918     -0.512834
  C      -5.710964     -0.001327     -1.623890
  N      -5.414539      1.228193     -2.027703
  C      -4.475679      1.889980     -1.293972
  C      -4.128808      3.209088     -1.678728
  C      -3.194394      3.908513     -0.952807
  C      -2.600296      3.283068      0.166197
  N      -2.886519      2.056458      0.566772
  C      -3.812828      1.349105     -0.136731
  C      -3.694125      4.857811      5.128497
  C      -4.903869      5.037003      4.209511
  C      -4.477127      5.303105      2.772276
  O      -5.437584      4.870380      1.780122
  C      -6.578730      5.555940      1.626937
  C      -6.978638      6.663589      2.364691
  C      -8.228144      7.258295      2.093631
  N      -9.083246      6.864134      1.162914
  C      -8.689235      5.800812      0.398170
  C      -9.529916      5.356114     -0.651457
  C      -9.119932      4.311274     -1.449021
  C      -7.874367      3.695642     -1.185445
  N      -7.066759      4.062226     -0.203233
  C      -7.454125      5.102431      0.579485
  C      -6.410843      2.124734      6.865587
  C      -6.939530      3.580754      6.847685
  C      -8.229871      3.767314      6.068381
  O      -8.011529      3.230354      4.746534
  C      -9.009284      3.292793      3.846842
  C     -10.156946      4.064463      3.957346
  C     -11.113289      4.021180      2.921002
  N     -11.034828      3.264499      1.837140
  C      -9.919213      2.484015      1.722495
  C      -9.793481      1.617310      0.608816
  C      -8.672012      0.825032      0.491051
  C      -7.670302      0.909652      1.479472
  N      -7.749057      1.695682      2.543764
  C      -8.856910      2.471115      2.680378
  H      -3.517712     -2.054418      4.942180
  H      -4.426670     -0.932234      3.914153
  H      -1.412686     -1.369172      3.564773
  H      -2.607001     -2.382258      2.739970
  H      -1.703088     -0.367393      1.387292
  H      -2.628371      0.677795      2.497500
  H      -5.440661     -1.648126     -0.235544
  H      -6.459398     -0.538930     -2.215771
  H      -4.632138      3.635418     -2.547381
  H      -2.914464      4.928436     -1.219597
  H      -1.853574      3.821047      0.759593
  H      -2.992639      5.701693      4.965438
  H      -4.046534      4.965446      6.178988
  H      -5.526753      5.851236      4.606369
  H      -5.510511      4.119886      4.220825
  H      -3.590952      4.696323      2.546702
  H      -4.238428      6.366555      2.599345
  H      -6.354660      7.079460      3.152176
  H      -8.536746      8.119018      2.697184
  H     -10.483494      5.865051     -0.799771
  H      -9.740648      3.948955     -2.269938
  H      -7.523507      2.863545     -1.805040
  H      -6.807340      1.596123      7.754552
  H      -6.781743      1.604542      5.975414
  H      -6.167994      4.214489      6.389772
  H      -7.100854      3.962842      7.867828
  H      -8.482503      4.838072      6.002381
  H      -9.080938      3.232551      6.524662
  H     -10.330752      4.708217      4.817908
  H     -12.003114      4.653452      3.004801
  H     -10.596465      1.609971     -0.129563
  H      -8.538971      0.150888     -0.355692
  H      -6.763736      0.305303      1.392308
  N      -5.034667      1.749138      3.860523
  H      -5.937736      1.847098      3.355157
100
Coordinates from ORCA-job orca E -6429.525649661857
  N      -3.020001     -0.035592      5.195005
  Mo     -3.891843      1.760635      5.206412
  N      -4.949982      2.038915      6.868433
  C      -4.307361      2.449086      8.111312
  C      -2.963919      1.737792      8.228671
  N      -2.220098      1.894534      6.964462
  C      -1.276325      0.792889      6.697891
  C      -2.024261     -0.424898      6.186981
  C      -1.564080      3.215418      6.836241
  C      -1.625408      3.615502      5.361139
  N      -2.997218      3.586584      4.884250
  H      -1.285163     -1.129861      5.761930
  H      -2.513885     -0.966693      7.023571
  H      -0.589351      1.139636      5.913186
  H      -0.672861      0.550203      7.593591
  H      -1.174135      4.617092      5.225089
  H      -1.016443      2.909603      4.769127
  H      -2.130805      3.943170      7.434033
  H      -0.532692      3.181537      7.236317
  H      -4.936254      2.173763      8.978923
  H      -4.167358      3.548572      8.165549
  H      -3.148874      0.664087      8.376508
  H      -2.376957      2.110486      9.088941
  C      -3.414704     -1.157508      4.342168
  C      -2.420483     -1.389938      3.189774
  C      -2.537069     -0.339565      2.102883
  O      -3.737363     -0.674542      1.351773
  C      -4.171405      0.012289      0.280514
  C      -5.123464     -0.644581     -0.497056
  C      -5.703501     -0.002519     -1.599460
  N      -5.417710      1.232330     -1.993265
  C      -4.478328      1.893245     -1.259523
  C      -4.142291      3.218069     -1.634479
  C      -3.203512      3.914790     -0.911898
  C      -2.593473      3.280554      0.193613
  N      -2.871117      2.049687      0.586132
  C      -3.803389      1.344998     -0.112445
  C      -3.713534      4.837334      5.104733
  C      -4.924746      5.008037      4.185728
  C      -4.498770      5.281212      2.750127
  O      -5.462456      4.859454      1.757058
  C      -6.599819      5.551636      1.606680
  C      -6.999309      6.652072      2.355492
  C      -8.246390      7.253572      2.086933
  N      -9.099241      6.871460      1.149336
  C      -8.705445      5.815706      0.373985
  C      -9.544285      5.384329     -0.682547
  C      -9.133513      4.348287     -1.491767
  C      -7.888744      3.729457     -1.232882
  N      -7.083104      4.083222     -0.244449
  C      -7.472045      5.113074      0.550655
  C      -6.407138      2.112467      6.892107
  C      -6.934175      3.568496      6.858687
  C      -8.224288      3.750059      6.078217
  O      -8.009847      3.205110      4.759975
  C      -9.000023      3.289442      3.853882
  C     -10.140850      4.070715      3.968217
  C     -11.093243      4.049708      2.926717
  N     -11.017519      3.305240      1.834709
  C      -9.908918      2.515012      1.715655
  C      -9.787384      1.659297      0.593239
  C      -8.673162      0.857687      0.469801
  C      -7.673013      0.923558      1.461133
  N      -7.749407      1.698746      2.533654
  C      -8.850381      2.481742      2.676749
  H      -3.490637     -2.077171      4.953172
  H      -4.410401     -0.962867      3.924931
  H      -1.390733     -1.369088      3.581422
  H      -2.573973     -2.388956      2.749965
  H      -1.680983     -0.354903      1.412078
  H      -2.630262      0.669953      2.520583
  H      -5.416883     -1.659551     -0.226497
  H      -6.451129     -0.539880     -2.192843
  H      -4.657083      3.650696     -2.493183
  H      -2.931859      4.938919     -1.171225
  H      -1.840378      3.815037      0.782245
  H      -3.015662      5.682591      4.932901
  H      -4.061928      4.951842      6.155685
  H      -5.554981      5.816664      4.582744
  H      -5.524259      4.086300      4.196639
  H      -3.615043      4.672820      2.519168
  H      -4.256839      6.345070      2.584330
  H      -6.377521      7.056855      3.150544
  H      -8.554439      8.108393      2.699228
  H     -10.496966      5.896162     -0.826883
  H      -9.752534      3.996406     -2.318466
  H      -7.536406      2.904192     -1.861310
  H      -6.796446      1.597119      7.792252
  H      -6.785322      1.578802      6.013249
  H      -6.161700      4.196177      6.394231
  H      -7.094866      3.961642      7.874774
  H      -8.475521      4.821033      6.004832
  H      -9.076678      3.220608      6.538602
  H     -10.315030      4.703264      4.836943
  H     -11.976883      4.690110      3.014449
  H     -10.587920      1.667532     -0.147880
  H      -8.543701      0.191963     -0.384105
  H      -6.769913      0.314850      1.369562
  N      -5.058745      1.707297      3.883005
  H      -5.981372      1.800354      3.410236
100
Coordinates from ORCA-job orca E -6429.525740403127
  N      -3.016575     -0.045930      5.199028
  Mo     -3.901963      1.743181      5.209157
  N      -4.958421      2.023611      6.871928
  C      -4.313780      2.441528      8.111869
  C      -2.968097      1.735962      8.229755
  N      -2.226602      1.892222      6.964185
  C      -1.277036      0.794093      6.702229
  C      -2.017931     -0.428012      6.190473
  C      -1.578365      3.215974      6.830072
  C      -1.634686      3.604126      5.351907
  N      -3.005444      3.563795      4.871639
  H      -1.274908     -1.128042      5.764014
  H      -2.501757     -0.974228      7.027530
  H      -0.587575      1.142818      5.920741
  H      -0.676770      0.554703      7.600919
  H      -1.188544      4.606716      5.208614
  H      -1.019957      2.896623      4.767873
  H      -2.155152      3.943791      7.418102
  H      -0.549635      3.192037      7.237782
  H      -4.940451      2.168406      8.981876
  H      -4.178258      3.541874      8.159845
  H      -3.148904      0.661809      8.379748
  H      -2.381664      2.112504      9.088734
  C      -3.399294     -1.167607      4.340319
  C      -2.395843     -1.388548      3.193962
  C      -2.511507     -0.334256      2.110330
  O      -3.703239     -0.675278      1.349319
  C      -4.147808      0.023259      0.289907
  C      -5.117479     -0.621217     -0.476558
  C      -5.706380      0.030064     -1.568659
  N      -5.416213      1.264294     -1.960729
  C      -4.460616      1.913642     -1.237916
  C      -4.118466      3.237167     -1.612180
  C      -3.156561      3.919477     -0.906398
  C      -2.528923      3.271710      0.181300
  N      -2.814471      2.043081      0.575079
  C      -3.770914      1.352991     -0.105244
  C      -3.723969      4.818054      5.072981
  C      -4.936151      4.975522      4.152885
  C      -4.508547      5.253909      2.719648
  O      -5.477914      4.846705      1.726760
  C      -6.607262      5.552104      1.579346
  C      -6.991754      6.659122      2.326012
  C      -8.233891      7.272708      2.060573
  N      -9.095448      6.895069      1.129142
  C      -8.716626      5.831946      0.356432
  C      -9.566712      5.401736     -0.691438
  C      -9.170895      4.356906     -1.497327
  C      -7.929149      3.729944     -1.244339
  N      -7.113551      4.082294     -0.263341
  C      -7.488560      5.118949      0.528951
  C      -6.415172      2.103609      6.899741
  C      -6.936736      3.561610      6.868563
  C      -8.232178      3.745682      6.097742
  O      -8.024211      3.205147      4.777963
  C      -9.013043      3.292011      3.871642
  C     -10.153464      4.073765      3.984340
  C     -11.103405      4.054423      2.939903
  N     -11.024931      3.312261      1.846675
  C      -9.915694      2.522350      1.728797
  C      -9.788542      1.669945      0.604670
  C      -8.672630      0.870332      0.482979
  C      -7.677351      0.931652      1.479728
  N      -7.760576      1.702915      2.554627
  C      -8.861128      2.486317      2.693552
  H      -3.475006     -2.089794      4.947476
  H      -4.392549     -0.975222      3.916406
  H      -1.368230     -1.364697      3.591040
  H      -2.540741     -2.385975      2.747356
  H      -1.649545     -0.338373      1.427077
  H      -2.616394      0.672362      2.532515
  H      -5.417203     -1.634191     -0.205281
  H      -6.466234     -0.498877     -2.154156
  H      -4.646404      3.680140     -2.457389
  H      -2.879639      4.942253     -1.165680
  H      -1.754286      3.793141      0.753668
  H      -3.027258      5.660897      4.885080
  H      -4.067525      4.948667      6.123592
  H      -5.577203      5.776526      4.547974
  H      -5.525819      4.047495      4.162349
  H      -3.630482      4.639265      2.483690
  H      -4.256782      6.316599      2.560406
  H      -6.362478      7.060236      3.117265
  H      -8.529368      8.133587      2.670594
  H     -10.516018      5.920916     -0.831830
  H      -9.799444      4.005611     -2.317174
  H      -7.588541      2.897430     -1.869726
  H      -6.802796      1.591273      7.802616
  H      -6.798753      1.569176      6.023383
  H      -6.165433      4.186693      6.398489
  H      -7.088988      3.956410      7.885366
  H      -8.485383      4.816593      6.029752
  H      -9.081558      3.214853      6.562485
  H     -10.330323      4.704819      4.853670
  H     -11.987146      4.694812      3.026878
  H     -10.586092      1.678025     -0.139549
  H      -8.539084      0.207703     -0.372745
  H      -6.773962      0.322866      1.392092
  N      -5.071012      1.681856      3.886260
  H      -6.001478      1.787737      3.431784
100
Coordinates from ORCA-job orca E -6429.525751926924
  N      -2.999302     -0.063991      5.211043
  Mo     -3.899544      1.717208      5.210236
  N      -4.959704      2.003960      6.869470
  C      -4.319125      2.437350      8.106224
  C      -2.970667      1.740550      8.233762
  N      -2.227273      1.890560      6.968602
  C      -1.272119      0.794426      6.717781
  C      -2.007098     -0.434053      6.212932
  C      -1.586188      3.216283      6.823448
  C      -1.644253      3.591641      5.341801
  N      -3.014549      3.540655      4.861539
  H      -1.260182     -1.137588      5.799111
  H      -2.495650     -0.971647      7.053016
  H      -0.581699      1.139396      5.935373
  H      -0.673987      0.564304      7.620322
  H      -1.204206      4.595759      5.190572
  H      -1.025258      2.882695      4.763873
  H      -2.166684      3.946379      7.405071
  H      -0.557286      3.201491      7.231226
  H      -4.946686      2.171171      8.977774
  H      -4.188284      3.538713      8.143030
  H      -3.144701      0.666584      8.392614
  H      -2.388608      2.128567      9.090682
  C      -3.356793     -1.187931      4.344395
  C      -2.343783     -1.384627      3.201949
  C      -2.474148     -0.328411      2.121375
  O      -3.658191     -0.685935      1.356483
  C      -4.122885      0.014778      0.308047
  C      -5.095982     -0.634653     -0.449953
  C      -5.703348      0.016344     -1.531925
  N      -5.429871      1.255736     -1.920599
  C      -4.471723      1.910163     -1.205719
  C      -4.147472      3.239370     -1.575780
  C      -3.182737      3.926591     -0.878518
  C      -2.533533      3.277844      0.196035
  N      -2.802387      2.044050      0.586076
  C      -3.762060      1.349524     -0.085270
  C      -3.738059      4.793777      5.050425
  C      -4.953304      4.937122      4.131186
  C      -4.525720      5.214936      2.697391
  O      -5.499483      4.823997      1.701994
  C      -6.619367      5.544801      1.557238
  C      -6.987580      6.654209      2.308473
  C      -8.221667      7.285604      2.047441
  N      -9.090264      6.923063      1.116375
  C      -8.725918      5.859626      0.337067
  C      -9.581605      5.448386     -0.713895
  C      -9.197880      4.407561     -1.530448
  C      -7.963065      3.764141     -1.284517
  N      -7.143043      4.098100     -0.300633
  C      -7.506162      5.130672      0.502973
  C      -6.416011      2.091280      6.894185
  C      -6.929132      3.552533      6.865706
  C      -8.227691      3.742996      6.102761
  O      -8.023373      3.211439      4.778503
  C      -9.013987      3.305762      3.874667
  C     -10.152801      4.088895      3.992273
  C     -11.103981      4.075118      2.948817
  N     -11.027987      3.336707      1.852485
  C      -9.920440      2.545046      1.730508
  C      -9.796433      1.693621      0.605271
  C      -8.681758      0.892587      0.480953
  C      -7.686035      0.948076      1.478139
  N      -7.767492      1.716170      2.555221
  C      -8.865123      2.503789      2.694607
  H      -3.418220     -2.114322      4.946825
  H      -4.351986     -1.013002      3.917394
  H      -1.319003     -1.342108      3.604856
  H      -2.467416     -2.382793      2.750704
  H      -1.610067     -0.314322      1.441186
  H      -2.597436      0.674800      2.546859
  H      -5.383204     -1.651550     -0.179563
  H      -6.465138     -0.516759     -2.111156
  H      -4.691662      3.682359     -2.410650
  H      -2.919917      4.953972     -1.134486
  H      -1.755682      3.802819      0.760896
  H      -3.045448      5.637569      4.851962
  H      -4.079343      4.934634      6.100438
  H      -5.599933      5.734917      4.523579
  H      -5.537693      4.005546      4.145078
  H      -3.654474      4.591810      2.458042
  H      -4.261955      6.275641      2.543085
  H      -6.351980      7.043522      3.100601
  H      -8.504564      8.147976      2.661318
  H     -10.524394      5.980684     -0.849451
  H      -9.829965      4.072907     -2.354512
  H      -7.630712      2.935898     -1.919792
  H      -6.808130      1.581102      7.796384
  H      -6.801021      1.558692      6.017462
  H      -6.157465      4.176061      6.393259
  H      -7.074244      3.946441      7.884036
  H      -8.482932      4.813883      6.045829
  H      -9.073402      3.206799      6.567908
  H     -10.328742      4.714468      4.865929
  H     -11.987224      4.715816      3.039512
  H     -10.595692      1.702010     -0.137267
  H      -8.550754      0.231394     -0.376351
  H      -6.785293      0.334728      1.390767
  N      -5.064522      1.642843      3.882245
  H      -5.995892      1.748426      3.429305
100
Coordinates from ORCA-job orca E -6429.525787626258
  N      -3.009930     -0.064980      5.211030
  Mo     -3.905323      1.718165      5.207394
  N      -4.958223      2.013973      6.870319
  C      -4.311367      2.449897      8.102560
  C      -2.964535      1.748948      8.226558
  N      -2.225356      1.894266      6.958504
  C      -1.273753      0.795387      6.706525
  C      -2.013147     -0.433477      6.209034
  C      -1.581680      3.218123      6.808266
  C      -1.645252      3.590605      5.326032
  N      -3.017054      3.542201      4.850528
  H      -1.269257     -1.139000      5.793367
  H      -2.498046     -0.968790      7.052670
  H      -0.586790      1.136655      5.919573
  H      -0.671655      0.567095      7.606853
  H      -1.202802      4.592962      5.170145
  H      -1.030468      2.878682      4.747329
  H      -2.158321      3.950562      7.390660
  H      -0.551393      3.201797      7.212263
  H      -4.935515      2.188363      8.977922
  H      -4.177203      3.550871      8.135036
  H      -3.141469      0.675827      8.387753
  H      -2.378211      2.136265      9.080866
  C      -3.372799     -1.190733      4.349260
  C      -2.360559     -1.398309      3.208542
  C      -2.479012     -0.342541      2.126304
  O      -3.660753     -0.693784      1.354571
  C      -4.119622      0.012832      0.307001
  C      -5.095346     -0.629238     -0.453810
  C      -5.697001      0.027433     -1.535485
  N      -5.415339      1.265628     -1.921554
  C      -4.453493      1.912381     -1.204738
  C      -4.120122      3.239698     -1.573011
  C      -3.151070      3.919459     -0.874565
  C      -2.506573      3.264739      0.199072
  N      -2.784373      2.032531      0.587864
  C      -3.749105      1.345592     -0.084217
  C      -3.739077      4.794147      5.048646
  C      -4.954164      4.940618      4.129727
  C      -4.525764      5.235387      2.699275
  O      -5.493908      4.846492      1.697444
  C      -6.624184      5.552727      1.560242
  C      -7.008918      6.648954      2.322309
  C      -8.253603      7.262503      2.069119
  N      -9.118451      6.894021      1.137127
  C      -8.739186      5.842937      0.348449
  C      -9.593029      5.423257     -0.700617
  C      -9.197010      4.391998     -1.523370
  C      -7.950271      3.768522     -1.287396
  N      -7.130834      4.111304     -0.306373
  C      -7.507167      5.133083      0.504803
  C      -6.414517      2.096488      6.902798
  C      -6.931375      3.556117      6.868306
  C      -8.230829      3.740601      6.105064
  O      -8.027264      3.201850      4.783536
  C      -9.015753      3.299859      3.878020
  C     -10.150928      4.088417      3.993619
  C     -11.098170      4.082941      2.946594
  N     -11.021629      3.349166      1.847662
  C      -9.917636      2.552499      1.726949
  C      -9.791266      1.709454      0.595929
  C      -8.680130      0.903980      0.471394
  C      -7.688853      0.948694      1.473393
  N      -7.771595      1.710234      2.554880
  C      -8.866755      2.500982      2.695275
  H      -3.438854     -2.114321      4.955530
  H      -4.367094     -1.012363      3.921534
  H      -1.335660     -1.366244      3.611885
  H      -2.493432     -2.396024      2.758991
  H      -1.611141     -0.334234      1.450938
  H      -2.598918      0.661677      2.550205
  H      -5.389304     -1.644747     -0.185862
  H      -6.461086     -0.500052     -2.116603
  H      -4.660615      3.687239     -2.407720
  H      -2.881100      4.945227     -1.129078
  H      -1.725242      3.783641      0.764496
  H      -3.046991      5.639463      4.854795
  H      -4.080081      4.929724      6.099417
  H      -5.606057      5.730664      4.528735
  H      -5.533778      4.006071      4.133991
  H      -3.649518      4.620891      2.456155
  H      -4.269163      6.299270      2.555763
  H      -6.378607      7.040779      3.117248
  H      -8.548918      8.114497      2.691398
  H     -10.545557      5.939784     -0.828099
  H      -9.829387      4.048547     -2.343492
  H      -7.608518      2.948209     -1.927715
  H      -6.800817      1.589438      7.809119
  H      -6.802346      1.558529      6.031248
  H      -6.161485      4.179062      6.392260
  H      -7.076446      3.954211      7.884876
  H      -8.487275      4.810737      6.041363
  H      -9.075951      3.206483      6.573696
  H     -10.326719      4.713749      4.867305
  H     -11.977556      4.728956      3.036209
  H     -10.584612      1.730050     -0.152600
  H      -8.547122      0.249637     -0.390686
  H      -6.789377      0.333877      1.385019
  N      -5.075357      1.643622      3.883687
  H      -6.010564      1.752767      3.440259
100
Coordinates from ORCA-job orca E -6429.525808016861
  N      -3.024955     -0.064768      5.209137
  Mo     -3.908356      1.723942      5.199026
  N      -4.955253      2.030814      6.863524
  C      -4.302887      2.467932      8.092389
  C      -2.959289      1.759231      8.214799
  N      -2.222497      1.896966      6.944147
  C      -1.277206      0.792690      6.692586
  C      -2.023679     -0.434479      6.202443
  C      -1.571113      3.216682      6.790178
  C      -1.639684      3.588811      5.308249
  N      -3.013802      3.547354      4.839741
  H      -1.284391     -1.142952      5.784063
  H      -2.506348     -0.966148      7.049621
  H      -0.592016      1.127826      5.901444
  H      -0.672816      0.565123      7.591537
  H      -1.192489      4.588804      5.149596
  H      -1.031561      2.873476      4.726781
  H      -2.140161      3.953424      7.374526
  H      -0.538959      3.194198      7.189095
  H      -4.925118      2.212731      8.970959
  H      -4.162341      3.568300      8.119857
  H      -3.142417      0.687660      8.379437
  H      -2.368751      2.145182      9.066868
  C      -3.397223     -1.191893      4.353352
  C      -2.385819     -1.416565      3.215008
  C      -2.486440     -0.362523      2.129747
  O      -3.669277     -0.701892      1.354014
  C      -4.119760      0.013175      0.308304
  C      -5.095132     -0.618611     -0.461282
  C      -5.688587      0.049077     -1.541079
  N      -5.398234      1.288449     -1.917260
  C      -4.435473      1.924612     -1.191726
  C      -4.091647      3.251880     -1.550382
  C      -3.120744      3.920632     -0.843599
  C      -2.485811      3.254920      0.229163
  N      -2.773878      2.022371      0.609276
  C      -3.739857      1.346110     -0.071880
  C      -3.731164      4.800937      5.044422
  C      -4.945927      4.955640      4.126692
  C      -4.516927      5.254946      2.697900
  O      -5.484340      4.866206      1.695580
  C      -6.617940      5.567328      1.562528
  C      -7.002978      6.665092      2.322217
  C      -8.250566      7.273975      2.071303
  N      -9.117747      6.899565      1.143545
  C      -8.738358      5.846165      0.357716
  C      -9.594069      5.420187     -0.687371
  C      -9.198023      4.385954     -1.506489
  C      -7.950157      3.764585     -1.269785
  N      -7.128492      4.113811     -0.292848
  C      -7.504139      5.139920      0.513189
  C      -6.411775      2.107511      6.899856
  C      -6.936257      3.564485      6.861422
  C      -8.238148      3.739141      6.098885
  O      -8.035344      3.195565      4.778487
  C      -9.027893      3.283656      3.876321
  C     -10.173788      4.055705      3.998756
  C     -11.125717      4.039080      2.956022
  N     -11.045037      3.307606      1.856058
  C      -9.930857      2.526118      1.729036
  C      -9.800871      1.683925      0.597865
  C      -8.679924      0.893798      0.465918
  C      -7.681913      0.953660      1.460603
  N      -7.767303      1.714372      2.542408
  C      -8.873343      2.488880      2.691027
  H      -3.471014     -2.111621      4.964885
  H      -4.389659     -1.007425      3.924036
  H      -1.361492     -1.397923      3.620875
  H      -2.531739     -2.413872      2.768621
  H      -1.615710     -0.367841      1.457801
  H      -2.594935      0.644285      2.550364
  H      -5.395889     -1.634349     -0.201763
  H      -6.453365     -0.470012     -2.128872
  H      -4.625200      3.708102     -2.384878
  H      -2.842248      4.945929     -1.090845
  H      -1.703749      3.765003      0.801620
  H      -3.035911      5.644482      4.853994
  H      -4.072630      4.933786      6.095483
  H      -5.597129      5.745096      4.528172
  H      -5.526405      4.022101      4.126310
  H      -3.640014      4.641883      2.453631
  H      -4.260906      6.319412      2.557153
  H      -6.370432      7.061890      3.113045
  H      -8.545921      8.127706      2.691233
  H     -10.547565      5.934887     -0.815356
  H      -9.831123      4.038845     -2.324618
  H      -7.609845      2.940719     -1.906375
  H      -6.794170      1.600594      7.807937
  H      -6.799267      1.566444      6.029782
  H      -6.170650      4.189246      6.381402
  H      -7.080932      3.965405      7.876893
  H      -8.499529      4.807713      6.029669
  H      -9.080364      3.204029      6.571677
  H     -10.355113      4.676256      4.874603
  H     -12.013668      4.672473      3.051364
  H     -10.600383      1.692021     -0.144347
  H      -8.544331      0.240395     -0.396504
  H      -6.774126      0.352101      1.365735
  N      -5.081960      1.652698      3.878683
  H      -6.018489      1.765317      3.439165
100
Coordinates from ORCA-job orca E -6429.525836184058
  N      -3.024323     -0.071268      5.212722
  Mo     -3.907784      1.716998      5.194840
  N      -4.955374      2.032691      6.857350
  C      -4.303823      2.475671      8.084406
  C      -2.961140      1.766112      8.211615
  N      -2.222951      1.897677      6.941200
  C      -1.278264      0.791654      6.694902
  C      -2.025402     -0.437182      6.210059
  C      -1.570429      3.216108      6.781926
  C      -1.639321      3.582963      5.298487
  N      -3.013348      3.541146      4.829911
  H      -1.286329     -1.148976      5.797041
  H      -2.510545     -0.963664      7.058990
  H      -0.593056      1.122827      5.902111
  H      -0.673967      0.568018      7.594940
  H      -1.191386      4.582126      5.136318
  H      -1.031634      2.865283      4.719379
  H      -2.138322      3.955719      7.363808
  H      -0.538110      3.194133      7.180411
  H      -4.926891      2.225951      8.963963
  H      -4.161834      3.575952      8.105857
  H      -3.145585      0.695488      8.380765
  H      -2.371262      2.155174      9.062754
  C      -3.390628     -1.200287      4.356813
  C      -2.375605     -1.422925      3.221313
  C      -2.474913     -0.369308      2.135482
  O      -3.653929     -0.711410      1.355196
  C      -4.108925      0.006743      0.313611
  C      -5.086398     -0.624093     -0.454165
  C      -5.683856      0.045473     -1.530578
  N      -5.396407      1.286158     -1.904601
  C      -4.432161      1.921716     -1.180444
  C      -4.091775      3.250496     -1.536650
  C      -3.119023      3.918643     -0.831834
  C      -2.478789      3.250742      0.236379
  N      -2.763591      2.016693      0.614218
  C      -3.731593      1.341032     -0.064790
  C      -3.730996      4.794084      5.036049
  C      -4.946759      4.948652      4.119242
  C      -4.518462      5.255186      2.691775
  O      -5.485545      4.871235      1.687294
  C      -6.621593      5.569496      1.561121
  C      -7.006628      6.663268      2.326497
  C      -8.256405      7.270270      2.082193
  N      -9.125561      6.898186      1.155421
  C      -8.746108      5.849259      0.363655
  C      -9.604071      5.426227     -0.680815
  C      -9.208731      4.396034     -1.505201
  C      -7.958716      3.776428     -1.275204
  N      -7.134604      4.123256     -0.299524
  C      -7.510003      5.144847      0.512356
  C      -6.411791      2.108958      6.892271
  C      -6.936149      3.565931      6.856021
  C      -8.240074      3.740107      6.097518
  O      -8.036546      3.202787      4.774491
  C      -9.031975      3.287501      3.875298
  C     -10.180238      4.055264      4.001058
  C     -11.133433      4.037651      2.959468
  N     -11.051053      3.309770      1.857238
  C      -9.934439      2.532311      1.727175
  C      -9.801796      1.694805      0.592820
  C      -8.678824      0.908095      0.458283
  C      -7.681413      0.966631      1.453845
  N      -7.768839      1.723460      2.537998
  C      -8.876626      2.495129      2.688717
  H      -3.462798     -2.119897      4.968745
  H      -4.382725     -1.019595      3.925091
  H      -1.352527     -1.402203      3.630262
  H      -2.518201     -2.420818      2.775172
  H      -1.601755     -0.372785      1.466628
  H      -2.587025      0.637268      2.555469
  H      -5.385164     -1.640786     -0.196135
  H      -6.449862     -0.473186     -2.117158
  H      -4.629478      3.708229     -2.367605
  H      -2.842901      4.945002     -1.077342
  H      -1.695085      3.760290      0.807076
  H      -3.036291      5.638166      4.845666
  H      -4.071815      4.926660      6.087366
  H      -5.600763      5.734359      4.523474
  H      -5.524525      4.013197      4.115336
  H      -3.641307      4.643770      2.444258
  H      -4.262535      6.320426      2.556607
  H      -6.372329      7.058196      3.116873
  H      -8.551607      8.120726      2.706704
  H     -10.559026      5.939488     -0.803549
  H      -9.844161      4.050483     -2.322231
  H      -7.619474      2.955355     -1.915865
  H      -6.795757      1.600589      7.798951
  H      -6.798138      1.569292      6.020643
  H      -6.172589      4.191120      6.373175
  H      -7.076994      3.966521      7.872160
  H      -8.505476      4.807959      6.033048
  H      -9.079436      3.199772      6.569357
  H     -10.362056      4.673985      4.878145
  H     -12.023322      4.667947      3.057328
  H     -10.600810      1.703914     -0.149870
  H      -8.541231      0.258343     -0.406561
  H      -6.772074      0.367541      1.357294
  N      -5.079239      1.642295      3.872828
  H      -6.014309      1.759408      3.431391
100
Coordinates from ORCA-job orca E -6429.525868497094
  N      -3.031520     -0.086748      5.220913
  Mo     -3.908376      1.703060      5.180562
  N      -4.953342      2.045763      6.839564
  C      -4.299747      2.503506      8.059901
  C      -2.961125      1.788073      8.197113
  N      -2.221851      1.900533      6.925613
  C      -1.282096      0.787420      6.691643
  C      -2.035373     -0.444354      6.224483
  C      -1.562249      3.213446      6.750855
  C      -1.635585      3.566694      5.263729
  N      -3.010881      3.527690      4.799965
  H      -1.299921     -1.165977      5.822261
  H      -2.524087     -0.956009      7.080152
  H      -0.598226      1.106399      5.892795
  H      -0.676271      0.573307      7.593093
  H      -1.183566      4.562300      5.090539
  H      -1.033464      2.840545      4.689157
  H      -2.122994      3.962114      7.328131
  H      -0.528616      3.188877      7.145463
  H      -4.924073      2.270462      8.943101
  H      -4.151052      3.602980      8.064818
  H      -3.151862      0.720677      8.378881
  H      -2.369322      2.183923      9.043814
  C      -3.390449     -1.220736      4.367983
  C      -2.367935     -1.447546      3.240171
  C      -2.456090     -0.395062      2.152306
  O      -3.624404     -0.739019      1.357163
  C      -4.085395     -0.009494      0.326588
  C      -5.067676     -0.632773     -0.441492
  C      -5.669353      0.045911     -1.509789
  N      -5.384507      1.290166     -1.873864
  C      -4.416965      1.919242     -1.148405
  C      -4.080211      3.251972     -1.492764
  C      -3.101941      3.912798     -0.788647
  C      -2.452212      3.233563      0.266527
  N      -2.734247      1.995736      0.634037
  C      -3.708781      1.327691     -0.043093
  C      -3.726794      4.779223      5.016709
  C      -4.945009      4.938483      4.103580
  C      -4.519797      5.272085      2.681445
  O      -5.483587      4.899578      1.669463
  C      -6.631084      5.581867      1.563535
  C      -7.026826      6.657841      2.348424
  C      -8.287209      7.249561      2.122230
  N      -9.157028      6.880067      1.195144
  C      -8.767635      5.849705      0.384199
  C      -9.625385      5.432509     -0.662983
  C      -9.220874      4.421254     -1.505810
  C      -7.962019      3.813941     -1.291526
  N      -7.136747      4.157017     -0.315821
  C      -7.520845      5.160589      0.514125
  C      -6.409302      2.120743      6.875775
  C      -6.934204      3.577106      6.838168
  C      -8.242777      3.748026      6.088329
  O      -8.039177      3.222301      4.760217
  C      -9.041484      3.295736      3.868407
  C     -10.199469      4.046371      4.004714
  C     -11.159205      4.018689      2.969339
  N     -11.073725      3.296597      1.863669
  C      -9.947390      2.535179      1.723546
  C      -9.811357      1.702610      0.585858
  C      -8.679492      0.930812      0.441948
  C      -7.676799      0.998932      1.431979
  N      -7.767381      1.750903      2.518701
  C      -8.883486      2.508696      2.678387
  H      -3.465481     -2.137228      4.984080
  H      -4.380053     -1.043222      3.928958
  H      -1.347837     -1.429424      3.656641
  H      -2.510170     -2.445891      2.795066
  H      -1.574802     -0.398804      1.493994
  H      -2.573115      0.611979      2.569391
  H      -5.365526     -1.651520     -0.190784
  H      -6.437822     -0.467877     -2.097387
  H      -4.625056      3.718219     -2.314154
  H      -2.827803      4.941670     -1.025656
  H      -1.663089      3.736774      0.835352
  H      -3.032111      5.624295      4.829596
  H      -4.064411      4.906704      6.069641
  H      -5.606411      5.711551      4.519708
  H      -5.514601      3.997999      4.085828
  H      -3.638665      4.670937      2.423028
  H      -4.269914      6.341100      2.565678
  H      -6.392532      7.049948      3.140153
  H      -8.590477      8.085553      2.762221
  H     -10.587494      5.935186     -0.772670
  H      -9.855686      4.081226     -2.325645
  H      -7.616759      3.006701     -1.946009
  H      -6.793995      1.613294      7.782762
  H      -6.795260      1.579759      6.004710
  H      -6.175357      4.201070      6.346265
  H      -7.066758      3.981021      7.854114
  H      -8.516736      4.814112      6.032157
  H      -9.075579      3.196968      6.559279
  H     -10.384079      4.660037      4.884827
  H     -12.057548      4.635415      3.076018
  H     -10.615537      1.702590     -0.151219
  H      -8.539021      0.285329     -0.425553
  H      -6.760881      0.410801      1.328457
  N      -5.077423      1.621990      3.856798
  H      -6.008991      1.754322      3.412832
100
Coordinates from ORCA-job orca E -6429.525877065031
  N      -3.037325     -0.098860      5.227198
  Mo     -3.909856      1.692290      5.171961
  N      -4.950456      2.052220      6.830603
  C      -4.294148      2.521515      8.044897
  C      -2.957117      1.803701      8.187653
  N      -2.219086      1.901529      6.914297
  C      -1.283793      0.783184      6.688701
  C      -2.042232     -0.450497      6.234822
  C      -1.554931      3.210462      6.726897
  C      -1.636619      3.555047      5.238029
  N      -3.014272      3.518915      4.781720
  H      -1.309686     -1.179070      5.840359
  H      -2.533491     -0.950563      7.095694
  H      -0.601679      1.092430      5.884405
  H      -0.675727      0.576064      7.590321
  H      -1.181268      4.547969      5.056693
  H      -1.040780      2.822982      4.664467
  H      -2.106800      3.965616      7.304259
  H      -0.518301      3.183189      7.113490
  H      -4.917345      2.299674      8.931757
  H      -4.141806      3.620567      8.037615
  H      -3.151265      0.738857      8.380604
  H      -2.363214      2.206291      9.029722
  C      -3.389529     -1.236077      4.375941
  C      -2.360179     -1.463555      3.253975
  C      -2.439878     -0.411373      2.165216
  O      -3.600957     -0.756256      1.360550
  C      -4.066227     -0.019690      0.337175
  C      -5.047623     -0.640418     -0.434288
  C      -5.654782      0.045263     -1.494974
  N      -5.376724      1.294202     -1.848190
  C      -4.409395      1.920667     -1.120011
  C      -4.078589      3.257667     -1.453764
  C      -3.099480      3.915333     -0.747963
  C      -2.442820      3.228721      0.298142
  N      -2.719335      1.986767      0.655854
  C      -3.694843      1.321729     -0.022773
  C      -3.727576      4.770929      5.002691
  C      -4.946233      4.936634      4.090775
  C      -4.521900      5.279475      2.670414
  O      -5.484699      4.910826      1.656020
  C      -6.633538      5.591740      1.555929
  C      -7.025441      6.667302      2.343539
  C      -8.287115      7.258872      2.124733
  N      -9.161918      6.889587      1.202215
  C      -8.776539      5.859842      0.388406
  C      -9.640431      5.442694     -0.653843
  C      -9.241202      4.430907     -1.498559
  C      -7.980744      3.823869     -1.291977
  N      -7.149637      4.167002     -0.321122
  C      -7.528901      5.170843      0.511027
  C      -6.406627      2.123087      6.869925
  C      -6.936745      3.577675      6.832139
  C      -8.248361      3.742072      6.086223
  O      -8.044762      3.218833      4.756552
  C      -9.050691      3.289044      3.868553
  C     -10.215192      4.027996      4.013728
  C     -11.176088      4.002415      2.979220
  N     -11.085538      3.292467      1.866191
  C      -9.953824      2.540490      1.718373
  C      -9.812727      1.720474      0.572128
  C      -8.677403      0.955487      0.421464
  C      -7.674819      1.020572      1.412007
  N      -7.768369      1.763494      2.504372
  C      -8.888986      2.512823      2.671984
  H      -3.464929     -2.151227      4.994034
  H      -4.377499     -1.062467      3.931789
  H      -1.342936     -1.446040      3.677503
  H      -2.500543     -2.462042      2.808571
  H      -1.553273     -0.415107      1.513917
  H      -2.560285      0.595830      2.581032
  H      -5.341425     -1.662186     -0.191076
  H      -6.422776     -0.466407     -2.085198
  H      -4.628692      3.729473     -2.268470
  H      -2.829903      4.947304     -0.976808
  H      -1.652704      3.729126      0.868174
  H      -3.030773      5.614993      4.817991
  H      -4.065030      4.896626      6.055862
  H      -5.607226      5.707445      4.511640
  H      -5.515829      3.995996      4.067631
  H      -3.639135      4.682059      2.408644
  H      -4.274259      6.349743      2.560700
  H      -6.386415      7.059415      3.131501
  H      -8.587513      8.094093      2.767193
  H     -10.603447      5.945052     -0.757384
  H      -9.881439      4.089589     -2.313637
  H      -7.640116      3.015205     -1.947633
  H      -6.788443      1.614684      7.777806
  H      -6.792603      1.580962      5.999300
  H      -6.182281      4.203022      6.335334
  H      -7.066483      3.983541      7.847661
  H      -8.528668      4.806688      6.031723
  H      -9.076699      3.184630      6.557416
  H     -10.402952      4.632716      4.899377
  H     -12.079305      4.610881      3.092579
  H     -10.616228      1.725027     -0.165849
  H      -8.533395      0.318681     -0.451887
  H      -6.755803      0.438516      1.302824
  N      -5.080064      1.605838      3.850136
  H      -6.012196      1.740531      3.406936
100
Coordinates from ORCA-job orca E -6429.525894499607
  N      -3.040355     -0.095737      5.225116
  Mo     -3.910619      1.696929      5.171947
  N      -4.950784      2.054070      6.831294
  C      -4.293958      2.520677      8.046536
  C      -2.957043      1.802265      8.187787
  N      -2.219380      1.901130      6.914254
  C      -1.285319      0.782089      6.687047
  C      -2.045385     -0.450066      6.231767
  C      -1.553886      3.209835      6.728769
  C      -1.635631      3.556973      5.240549
  N      -3.013643      3.522308      4.785086
  H      -1.314031     -1.179054      5.835797
  H      -2.536829     -0.950631      7.092224
  H      -0.602725      1.091800      5.883315
  H      -0.677490      0.572958      7.588357
  H      -1.179596      4.549818      5.060702
  H      -1.040779      2.825195      4.665627
  H      -2.104877      3.964375      7.307763
  H      -0.517178      3.180739      7.115038
  H      -4.917341      2.296991      8.932787
  H      -4.141544      3.619749      8.041700
  H      -3.151647      0.737320      8.379795
  H      -2.362496      2.203738      9.029911
  C      -3.395704     -1.231755      4.373457
  C      -2.366491     -1.461826      3.251808
  C      -2.444525     -0.410098      2.162480
  O      -3.606536     -0.753413      1.358605
  C      -4.068871     -0.017363      0.333616
  C      -5.050887     -0.636480     -0.438376
  C      -5.653987      0.049001     -1.501505
  N      -5.371186      1.296297     -1.856762
  C      -4.403353      1.921246     -1.128024
  C      -4.067341      3.256497     -1.463695
  C      -3.087150      3.912097     -0.757466
  C      -2.434474      3.225244      0.291002
  N      -2.716018      1.985000      0.650648
  C      -3.692785      1.322196     -0.028191
  C      -3.726239      4.774908      5.006128
  C      -4.944911      4.940983      4.094504
  C      -4.521706      5.281911      2.673428
  O      -5.484903      4.909319      1.660855
  C      -6.634688      5.588569      1.559682
  C      -7.030197      6.662252      2.348075
  C      -8.292782      7.251448      2.127908
  N      -9.165132      6.881433      1.203287
  C      -8.776203      5.853540      0.388868
  C      -9.637173      5.436015     -0.655630
  C      -9.233983      4.426426     -1.501231
  C      -7.972860      3.821483     -1.292716
  N      -7.144410      4.164973     -0.319677
  C      -7.527345      5.167000      0.512950
  C      -6.406912      2.125458      6.871375
  C      -6.936908      3.580046      6.834354
  C      -8.247940      3.745137      6.087574
  O      -8.043711      3.224197      4.757201
  C      -9.050458      3.291858      3.869957
  C     -10.216126      4.028860      4.016051
  C     -11.179166      3.999458      2.983604
  N     -11.089711      3.287060      1.872033
  C      -9.956761      2.537032      1.723290
  C      -9.817271      1.713674      0.579247
  C      -8.680458      0.951005      0.427577
  C      -7.674941      1.021677      1.414749
  N      -7.767277      1.767533      2.505307
  C      -8.889404      2.514212      2.674211
  H      -3.474556     -2.146612      4.991435
  H      -4.382653     -1.054544      3.928446
  H      -1.349207     -1.445964      3.675268
  H      -2.508627     -2.460040      2.806319
  H      -1.558057     -0.415681      1.511064
  H      -2.562887      0.597613      2.577849
  H      -5.348347     -1.656867     -0.193773
  H      -6.422236     -0.461497     -2.092423
  H      -4.614391      3.728804     -2.280159
  H      -2.813785      4.942766     -0.987745
  H      -1.643135      3.723797      0.860971
  H      -3.028945      5.618495      4.821177
  H      -4.063027      4.900448      6.059444
  H      -5.604611      5.713003      4.515271
  H      -5.515427      4.000914      4.072631
  H      -3.637846      4.685933      2.411933
  H      -4.276640      6.352480      2.561242
  H      -6.393437      7.054547      3.137810
  H      -8.596210      8.085062      2.771021
  H     -10.600963      5.936612     -0.760537
  H      -9.871323      4.085691     -2.318801
  H      -7.628971      3.014438     -1.948675
  H      -6.788005      1.616850      7.779421
  H      -6.793509      1.583536      6.000858
  H      -6.181949      4.205471      6.338416
  H      -7.067658      3.985421      7.849938
  H      -8.528265      4.809857      6.034621
  H      -9.076610      3.186938      6.557343
  H     -10.403179      4.634493      4.901218
  H     -12.083523      4.606099      3.097669
  H     -10.623383      1.713556     -0.155901
  H      -8.537482      0.311599     -0.444072
  H      -6.754904      0.441483      1.304398
  N      -5.081524      1.613333      3.850570
  H      -6.012139      1.750521      3.405523
100
Coordinates from ORCA-job orca E -6429.525687230121
  N      -3.033483     -0.085726      5.219248
  Mo     -3.902987      1.708718      5.175882
  N      -4.944335      2.050441      6.837197
  C      -4.288328      2.506901      8.057197
  C      -2.949849      1.790414      8.192717
  N      -2.212547      1.899464      6.919695
  C      -1.277419      0.782735      6.684707
  C      -2.037307     -0.446545      6.221484
  C      -1.548692      3.210670      6.744290
  C      -1.627220      3.566986      5.258287
  N      -3.004539      3.531128      4.800454
  H      -1.306815     -1.172960      5.818937
  H      -2.526873     -0.953154      7.079483
  H      -0.594000      1.098857      5.884238
  H      -0.670219      0.567188      7.584898
  H      -1.173156      4.561666      5.085175
  H      -1.029970      2.839442      4.680468
  H      -2.103237      3.959654      7.327088
  H      -0.513163      3.180596      7.133531
  H      -4.912443      2.273009      8.940254
  H      -4.139254      3.606367      8.063345
  H      -3.142123      0.723812      8.377693
  H      -2.355519      2.187447      9.036999
  C      -3.399282     -1.218423      4.367317
  C      -2.378426     -1.450817      3.238847
  C      -2.466815     -0.398963      2.150428
  O      -3.639835     -0.739838      1.361553
  C      -4.111506     -0.001364      0.342565
  C      -5.104946     -0.615229     -0.418923
  C      -5.716306      0.073439     -1.475202
  N      -5.431287      1.319435     -1.833047
  C      -4.453588      1.939887     -1.114098
  C      -4.115814      3.274338     -1.451069
  C      -3.125189      3.924787     -0.754586
  C      -2.463318      3.233651      0.285277
  N      -2.746788      1.994338      0.646546
  C      -3.734150      1.337010     -0.021939
  C      -3.719485      4.783348      5.017792
  C      -4.932980      4.944321      4.099316
  C      -4.503518      5.283595      2.679864
  O      -5.456185      4.894769      1.663303
  C      -6.613126      5.559767      1.547861
  C      -7.038914      6.620793      2.337448
  C      -8.306930      7.191587      2.099977
  N      -9.157021      6.815052      1.157318
  C      -8.737839      5.800134      0.341978
  C      -9.573105      5.377613     -0.721091
  C      -9.137856      4.382699     -1.568469
  C      -7.871407      3.796276     -1.341880
  N      -7.066230      4.144737     -0.351338
  C      -7.480426      5.132783      0.482750
  C      -6.400353      2.119501      6.878599
  C      -6.933250      3.572822      6.848892
  C      -8.245394      3.740353      6.104480
  O      -8.042376      3.238779      4.766865
  C      -9.055131      3.302470      3.886268
  C     -10.227631      4.025338      4.047788
  C     -11.201216      3.989562      3.025541
  N     -11.115089      3.283571      1.909646
  C      -9.973613      2.550102      1.743714
  C      -9.836022      1.734813      0.593778
  C      -8.687905      0.993192      0.422391
  C      -7.670690      1.074986      1.396543
  N      -7.762764      1.810887      2.494184
  C      -8.895337      2.536648      2.682508
  H      -3.481433     -2.133506      4.984192
  H      -4.386713     -1.033082      3.926577
  H      -1.357411     -1.435943      3.653043
  H      -2.525162     -2.448213      2.792966
  H      -1.587956     -0.405128      1.489058
  H      -2.578578      0.608743      2.567944
  H      -5.404419     -1.634434     -0.171982
  H      -6.492425     -0.433478     -2.058707
  H      -4.669625      3.750576     -2.260595
  H      -2.850508      4.954783     -0.986155
  H      -1.662420      3.727550      0.845723
  H      -3.022930      5.627869      4.835072
  H      -4.060202      4.907887      6.069751
  H      -5.596428      5.715465      4.515942
  H      -5.500817      4.002963      4.076100
  H      -3.611033      4.697156      2.426079
  H      -4.270997      6.356350      2.563707
  H      -6.422880      7.016067      3.141968
  H      -8.634711      8.015047      2.744029
  H     -10.542649      5.863702     -0.839690
  H      -9.753327      4.040892     -2.402097
  H      -7.501486      3.001785     -1.998460
  H      -6.778316      1.606917      7.785519
  H      -6.787034      1.579340      6.007320
  H      -6.179537      4.202725      6.356632
  H      -7.065527      3.972127      7.866630
  H      -8.530024      4.804488      6.065473
  H      -9.071539      3.174013      6.569120
  H     -10.412957      4.622261      4.939161
  H     -12.112210      4.583394      3.152770
  H     -10.652408      1.723996     -0.129737
  H      -8.545008      0.361613     -0.454976
  H      -6.741971      0.512270      1.269455
  N      -5.075104      1.632781      3.854829
  H      -6.000563      1.777297      3.403872
100
Coordinates from ORCA-job orca E -6429.525863280312
  N      -3.039191     -0.089248      5.226081
  Mo     -3.907363      1.705540      5.172489
  N      -4.944685      2.057363      6.834845
  C      -4.286130      2.523466      8.049542
  C      -2.948111      1.806519      8.188270
  N      -2.212542      1.905424      6.913455
  C      -1.280280      0.785408      6.684343
  C      -2.043423     -0.445447      6.230746
  C      -1.546210      3.213888      6.728207
  C      -1.632951      3.564112      5.241104
  N      -3.012609      3.530120      4.791193
  H      -1.314565     -1.176073      5.833263
  H      -2.533957     -0.944378      7.092630
  H      -0.598210      1.094759      5.880060
  H      -0.671497      0.574957      7.584700
  H      -1.177405      4.557148      5.061719
  H      -1.040836      2.832728      4.662869
  H      -2.094019      3.967141      7.311833
  H      -0.508140      3.182316      7.110473
  H      -4.908531      2.297479      8.935854
  H      -4.135530      3.622770      8.046336
  H      -3.141599      0.741614      8.381489
  H      -2.352055      2.209049      9.028721
  C      -3.400596     -1.225021      4.376497
  C      -2.369306     -1.465457      3.258998
  C      -2.444980     -0.421892      2.161694
  O      -3.602232     -0.774916      1.355210
  C      -4.064138     -0.045275      0.325379
  C      -5.041019     -0.671619     -0.447381
  C      -5.641350      0.005525     -1.517253
  N      -5.360900      1.251586     -1.878387
  C      -4.398886      1.884045     -1.148857
  C      -4.066554      3.219016     -1.489177
  C      -3.091115      3.881385     -0.782668
  C      -2.438768      3.201663      0.270588
  N      -2.717991      1.962439      0.635440
  C      -3.690960      1.293490     -0.042589
  C      -3.724625      4.781788      5.019347
  C      -4.941783      4.952138      4.107394
  C      -4.518838      5.307580      2.689653
  O      -5.473268      4.925764      1.671873
  C      -6.631126      5.590732      1.564400
  C      -7.053137      6.648961      2.359871
  C      -8.322802      7.219719      2.131714
  N      -9.178228      6.845716      1.192934
  C      -8.763180      5.833761      0.371833
  C      -9.604760      5.413776     -0.687300
  C      -9.174493      4.420987     -1.539679
  C      -7.906307      3.834624     -1.322569
  N      -7.095068      4.181209     -0.336404
  C      -7.504397      5.167036      0.502746
  C      -6.400813      2.122216      6.880243
  C      -6.938802      3.573699      6.846813
  C      -8.254792      3.734582      6.107198
  O      -8.056993      3.231292      4.769066
  C      -9.073715      3.296376      3.893182
  C     -10.250990      4.008852      4.066606
  C     -11.227481      3.978292      3.046974
  N     -11.139632      3.287024      1.922222
  C      -9.993586      2.563656      1.744254
  C      -9.853174      1.765526      0.582677
  C      -8.700851      1.034051      0.398426
  C      -7.681294      1.110744      1.370550
  N      -7.775078      1.831709      2.477639
  C      -8.912602      2.545814      2.679766
  H      -3.488984     -2.136880      4.997376
  H      -4.384101     -1.040681      3.926679
  H      -1.352727     -1.448284      3.683829
  H      -2.511945     -2.466001      2.818922
  H      -1.555362     -0.429485      1.514787
  H      -2.567626      0.588541      2.569363
  H      -5.336514     -1.691461     -0.198351
  H      -6.404764     -0.510942     -2.109074
  H      -4.612137      3.685945     -2.309640
  H      -2.821175      4.912074     -1.016627
  H      -1.649948      3.705047      0.839599
  H      -3.027154      5.626318      4.839872
  H      -4.061433      4.900053      6.073347
  H      -5.603324      5.718624      4.535203
  H      -5.509312      4.010858      4.076833
  H      -3.624986      4.727162      2.426999
  H      -4.290663      6.382338      2.583367
  H      -6.432503      7.042244      3.161681
  H      -8.647494      8.040734      2.780399
  H     -10.575407      5.899476     -0.798284
  H      -9.795344      4.080152     -2.369650
  H      -7.540082      3.041297     -1.982833
  H      -6.774497      1.611342      7.789980
  H      -6.788435      1.578249      6.011998
  H      -6.189041      4.204244      6.349352
  H      -7.068600      3.976443      7.863471
  H      -8.543195      4.797683      6.067201
  H      -9.076991      3.166027      6.576045
  H     -10.437482      4.594669      4.965032
  H     -12.142103      4.564332      3.183858
  H     -10.670817      1.760542     -0.139567
  H      -8.555608      0.415779     -0.487950
  H      -6.748351      0.557972      1.232349
  N      -5.081553      1.624781      3.853863
  H      -6.008723      1.767690      3.404917
100
Coordinates from ORCA-job orca E -6429.525606612654
  N      -3.073197     -0.106696      5.223963
  Mo     -3.930026      1.693241      5.162894
  N      -4.951698      2.070298      6.830173
  C      -4.281919      2.547744      8.033642
  C      -2.949688      1.819960      8.173192
  N      -2.221229      1.896728      6.893016
  C      -1.301849      0.765276      6.670063
  C      -2.078797     -0.462731      6.231436
  C      -1.544498      3.196864      6.688986
  C      -1.643471      3.535988      5.200017
  N      -3.027459      3.512722      4.761760
  H      -1.357777     -1.204767      5.841476
  H      -2.573762     -0.946982      7.099138
  H      -0.622382      1.058986      5.857471
  H      -0.688884      0.558600      7.568493
  H      -1.178974      4.523140      5.009061
  H      -1.063600      2.794815      4.621971
  H      -2.076642      3.961410      7.272487
  H      -0.501885      3.158537      7.058580
  H      -4.899059      2.339884      8.928130
  H      -4.120420      3.645518      8.013312
  H      -3.152143      0.759470      8.381257
  H      -2.345607      2.227450      9.005628
  C      -3.430319     -1.241544      4.372167
  C      -2.393620     -1.478333      3.258004
  C      -2.449893     -0.422740      2.170810
  O      -3.606302     -0.750646      1.353180
  C      -4.061068      0.002273      0.336815
  C      -5.047541     -0.598927     -0.443886
  C      -5.641072      0.103883     -1.501086
  N      -5.343909      1.351594     -1.843419
  C      -4.371968      1.959581     -1.105615
  C      -4.019997      3.294182     -1.428017
  C      -3.037193      3.933530     -0.710853
  C      -2.397576      3.230802      0.335057
  N      -2.692286      1.989633      0.680730
  C      -3.672003      1.342555     -0.009168
  C      -3.727054      4.772316      4.984880
  C      -4.947985      4.953450      4.077894
  C      -4.527304      5.296652      2.656033
  O      -5.492744      4.926529      1.644659
  C      -6.637572      5.614279      1.544621
  C      -7.021660      6.691455      2.333877
  C      -8.280508      7.290394      2.118734
  N      -9.159447      6.926118      1.198046
  C      -8.781247      5.895218      0.382080
  C      -9.652025      5.480027     -0.655252
  C      -9.262363      4.463130     -1.498835
  C      -8.001894      3.853293     -1.299497
  N      -7.164790      4.194450     -0.332821
  C      -7.536619      5.200175      0.500633
  C      -6.407231      2.143229      6.883350
  C      -6.937442      3.597194      6.833328
  C      -8.251237      3.746296      6.089685
  O      -8.044157      3.200813      4.769357
  C      -9.051650      3.247842      3.881741
  C     -10.219796      3.984115      4.012629
  C     -11.176858      3.941079      2.974855
  N     -11.078099      3.217393      1.871453
  C      -9.944181      2.465363      1.740322
  C      -9.794250      1.633289      0.604074
  C      -8.659559      0.864613      0.472127
  C      -7.663173      0.943276      1.468291
  N      -7.761488      1.703120      2.548182
  C      -8.884207      2.452756      2.699465
  H      -3.518082     -2.156269      4.989481
  H      -4.413314     -1.059004      3.921118
  H      -1.380476     -1.472609      3.691559
  H      -2.540513     -2.474238      2.808703
  H      -1.556865     -0.434431      1.528414
  H      -2.562343      0.584482      2.588943
  H      -5.356623     -1.618421     -0.210107
  H      -6.413354     -0.392423     -2.099050
  H      -4.557882      3.779679     -2.242808
  H      -2.753217      4.963868     -0.929741
  H      -1.604770      3.716169      0.914432
  H      -3.021601      5.608739      4.797824
  H      -4.059508      4.901360      6.039110
  H      -5.597869      5.730954      4.504068
  H      -5.528359      4.018583      4.054393
  H      -3.643920      4.701009      2.391553
  H      -4.282448      6.367367      2.544009
  H      -6.378588      7.078822      3.121090
  H      -8.575522      8.126215      2.763036
  H     -10.614376      5.985005     -0.753459
  H      -9.910585      4.118443     -2.306247
  H      -7.669036      3.037144     -1.951089
  H      -6.781126      1.643644      7.799723
  H      -6.801677      1.593193      6.020684
  H      -6.186648      4.215979      6.322715
  H      -7.062773      4.017713      7.843418
  H      -8.536088      4.808985      6.018517
  H      -9.076342      3.191498      6.569465
  H     -10.409902      4.603474      4.887616
  H     -12.082057      4.549182      3.074743
  H     -10.590405      1.634175     -0.142047
  H      -8.508839      0.216921     -0.392206
  H      -6.743334      0.361616      1.370863
  N      -5.112028      1.611847      3.851713
  H      -6.042110      1.758299      3.408278
100
Coordinates from ORCA-job orca E -6429.525690800121
  N      -3.073074     -0.107650      5.230651
  Mo     -3.925201      1.693036      5.155072
  N      -4.946314      2.082646      6.819070
  C      -4.274993      2.565893      8.019626
  C      -2.944165      1.836537      8.162767
  N      -2.215849      1.905589      6.881836
  C      -1.297490      0.771408      6.664590
  C      -2.076997     -0.458512      6.236854
  C      -1.536161      3.203085      6.670029
  C      -1.633391      3.532455      5.178186
  N      -3.017253      3.507031      4.741271
  H      -1.358483     -1.204420      5.848960
  H      -2.569039     -0.936903      7.109376
  H      -0.618763      1.060364      5.850044
  H      -0.684008      0.569486      7.563816
  H      -1.169320      4.517922      4.979686
  H      -1.054222      2.786425      4.605332
  H      -2.069766      3.971565      7.247026
  H      -0.495176      3.165391      7.043446
  H      -4.893320      2.364415      8.914669
  H      -4.112125      3.663014      7.993300
  H      -3.148014      0.777317      8.375216
  H      -2.338306      2.246524      8.992617
  C      -3.442199     -1.247547      4.389885
  C      -2.410747     -1.507111      3.277305
  C      -2.452763     -0.454089      2.187226
  O      -3.614253     -0.765411      1.369724
  C      -4.057029     -0.002321      0.355991
  C      -5.064861     -0.577911     -0.416645
  C      -5.644305      0.136938     -1.473557
  N      -5.315705      1.375182     -1.821467
  C      -4.324447      1.958857     -1.090257
  C      -3.941033      3.283782     -1.415509
  C      -2.936091      3.897556     -0.706450
  C      -2.305449      3.178753      0.333829
  N      -2.630936      1.946539      0.683680
  C      -3.634073      1.325898      0.003543
  C      -3.716894      4.765060      4.970537
  C      -4.946506      4.935735      4.074577
  C      -4.542076      5.286570      2.650383
  O      -5.512351      4.908920      1.646040
  C      -6.673390      5.571258      1.564166
  C      -7.079731      6.627098      2.370620
  C      -8.353898      7.197785      2.169407
  N      -9.228097      6.826240      1.247320
  C      -8.829652      5.816334      0.415614
  C      -9.691704      5.400542     -0.628750
  C      -9.278791      4.410380     -1.492365
  C      -8.007317      3.822023     -1.301244
  N      -7.176333      4.166305     -0.331005
  C      -7.568409      5.149391      0.519347
  C      -6.401184      2.153862      6.874110
  C      -6.933469      3.606404      6.823060
  C      -8.250871      3.758258      6.086189
  O      -8.046746      3.246776      4.751987
  C      -9.062282      3.290461      3.874205
  C     -10.250809      3.985383      4.039640
  C     -11.222756      3.933670      3.016548
  N     -11.119831      3.238158      1.895736
  C      -9.962475      2.531002      1.726447
  C      -9.805824      1.727471      0.570621
  C      -8.642813      1.011165      0.395856
  C      -7.629046      1.107265      1.372722
  N      -7.738221      1.832414      2.475190
  C      -8.885848      2.533535      2.666900
  H      -3.542820     -2.153905      5.016992
  H      -4.422314     -1.055634      3.935708
  H      -1.396524     -1.517311      3.707931
  H      -2.574925     -2.501793      2.831601
  H      -1.559618     -0.481006      1.545489
  H      -2.549016      0.555984      2.602156
  H      -5.399337     -1.588278     -0.178818
  H      -6.432234     -0.340575     -2.065898
  H      -4.472291      3.782677     -2.226346
  H      -2.626666      4.919656     -0.928755
  H      -1.494115      3.643022      0.904419
  H      -3.016295      5.603488      4.774901
  H      -4.037867      4.894603      6.028130
  H      -5.601784      5.704320      4.508362
  H      -5.516614      3.995529      4.054939
  H      -3.655101      4.701172      2.375554
  H      -4.309526      6.360039      2.540364
  H      -6.443091      7.018408      3.160835
  H      -8.665330      8.017258      2.826515
  H     -10.663580      5.887919     -0.719958
  H      -9.915777      4.073258     -2.311678
  H      -7.655907      3.028559     -1.969127
  H      -6.772951      1.656859      7.792336
  H      -6.795855      1.599518      6.015403
  H      -6.185191      4.227800      6.311860
  H      -7.056527      4.024065      7.834594
  H      -8.544720      4.819493      6.038325
  H      -9.069508      3.188117      6.559223
  H     -10.450140      4.573223      4.934067
  H     -12.147335      4.505300      3.147670
  H     -10.620464      1.705044     -0.154490
  H      -8.484985      0.389566     -0.485987
  H      -6.688330      0.565588      1.242626
  N      -5.107213      1.606986      3.843415
  H      -6.032232      1.765988      3.396539
100
Coordinates from ORCA-job orca E -6429.525746854331
  N      -3.056680     -0.108360      5.232138
  Mo     -3.914272      1.690760      5.161866
  N      -4.941011      2.069975      6.825158
  C      -4.273041      2.548966      8.029570
  C      -2.939261      1.824725      8.171952
  N      -2.209043      1.901258      6.892453
  C      -1.286658      0.770990      6.673518
  C      -2.060568     -0.459913      6.237788
  C      -1.534490      3.202283      6.686069
  C      -1.627428      3.534320      5.195054
  N      -3.009700      3.503999      4.752538
  H      -1.338147     -1.200545      5.847242
  H      -2.551970     -0.944576      7.107272
  H      -0.605773      1.065194      5.862536
  H      -0.675657      0.566956      7.573826
  H      -1.166063      4.521747      5.000144
  H      -1.043404      2.791537      4.623134
  H      -2.073274      3.966966      7.263193
  H      -0.494345      3.168408      7.062434
  H      -4.892279      2.340643      8.922386
  H      -4.114361      3.647003      8.009421
  H      -3.138920      0.763907      8.380753
  H      -2.336573      2.234580      9.004149
  C      -3.420773     -1.245018      4.385296
  C      -2.387547     -1.489884      3.270800
  C      -2.439653     -0.432090      2.185803
  O      -3.594454     -0.755722      1.363313
  C      -4.036007      0.000033      0.343518
  C      -5.008995     -0.600210     -0.454241
  C      -5.589347      0.105038     -1.516943
  N      -5.294756      1.356416     -1.846432
  C      -4.335606      1.963649     -1.092149
  C      -3.988826      3.303097     -1.398628
  C      -3.013341      3.940240     -0.669131
  C      -2.375276      3.230255      0.373029
  N      -2.670055      1.986100      0.708201
  C      -3.643253      1.341532      0.006967
  C      -3.713084      4.762366      4.967686
  C      -4.932481      4.927957      4.057529
  C      -4.513295      5.270852      2.635479
  O      -5.474974      4.887441      1.625136
  C      -6.636270      5.548659      1.533450
  C      -7.054312      6.597794      2.343001
  C      -8.330893      7.161530      2.137567
  N      -9.197915      6.787373      1.209697
  C      -8.787550      5.784925      0.374704
  C      -9.643712      5.364766     -0.672389
  C      -9.218918      4.383292     -1.540119
  C      -7.940802      3.809208     -1.351181
  N      -7.115883      4.154324     -0.375487
  C      -7.521006      5.127927      0.479948
  C      -6.396928      2.142695      6.877624
  C      -6.929494      3.596374      6.830965
  C      -8.251782      3.756242      6.100704
  O      -8.070462      3.240405      4.765038
  C      -9.093386      3.308560      3.896390
  C     -10.266865      4.025966      4.075740
  C     -11.251135      3.994181      3.063575
  N     -11.175058      3.296570      1.941721
  C     -10.033446      2.567483      1.758752
  C      -9.905662      1.759896      0.602019
  C      -8.758927      1.020047      0.414942
  C      -7.731054      1.099285      1.378040
  N      -7.813271      1.829888      2.479701
  C      -8.945291      2.551258      2.685640
  H      -3.515382     -2.155918      5.006753
  H      -4.402008     -1.056105      3.932419
  H      -1.373225     -1.492008      3.701417
  H      -2.541910     -2.483669      2.819565
  H      -1.544511     -0.444488      1.546660
  H      -2.550338      0.574755      2.605881
  H      -5.317444     -1.622069     -0.230360
  H      -6.350420     -0.391333     -2.128608
  H      -4.522830      3.793486     -2.213245
  H      -2.731594      4.973240     -0.877751
  H      -1.587153      3.713432      0.960191
  H      -3.011777      5.600834      4.775437
  H      -4.045948      4.895584      6.021150
  H      -5.590195      5.700219      4.480951
  H      -5.503656      3.988443      4.036645
  H      -3.623192      4.684830      2.372364
  H      -4.281720      6.344015      2.521186
  H      -6.425888      6.987953      3.140261
  H      -8.651954      7.974920      2.797602
  H     -10.620668      5.842026     -0.762621
  H      -9.851413      4.042254     -2.361088
  H      -7.577790      3.028859     -2.027983
  H      -6.767371      1.644280      7.795498
  H      -6.792455      1.590386      6.018080
  H      -6.180908      4.218109      6.321220
  H      -7.049325      4.010746      7.844189
  H      -8.536164      4.820136      6.053278
  H      -9.072111      3.196200      6.582948
  H     -10.445214      4.615502      4.973363
  H     -12.163016      4.583321      3.205398
  H     -10.728180      1.754669     -0.114748
  H      -8.624103      0.394070     -0.467538
  H      -6.801076      0.540392      1.237818
  N      -5.096522      1.602099      3.851519
  H      -6.026708      1.745444      3.405773
100
Coordinates from ORCA-job orca E -6429.525457711111
  N      -3.023845     -0.090792      5.246367
  Mo     -3.900113      1.700683      5.178242
  N      -4.937178      2.056881      6.840697
  C      -4.280369      2.541921      8.048987
  C      -2.936693      1.834799      8.195265
  N      -2.201709      1.921182      6.918814
  C      -1.268357      0.800971      6.699721
  C      -2.030324     -0.435187      6.258451
  C      -1.538610      3.228880      6.719238
  C      -1.640475      3.571253      5.231784
  N      -3.024124      3.534285      4.794437
  H      -1.300624     -1.170975      5.873414
  H      -2.524728     -0.921006      7.125391
  H      -0.588471      1.102990      5.890353
  H      -0.657462      0.600646      7.600874
  H      -1.186623      4.564180      5.044915
  H      -1.053287      2.837928      4.651353
  H      -2.077725      3.985484      7.306505
  H      -0.495323      3.199696      7.087873
  H      -4.899578      2.323159      8.939322
  H      -4.135262      3.642264      8.031921
  H      -3.124760      0.771701      8.403997
  H      -2.342950      2.252060      9.030198
  C      -3.376577     -1.234301      4.404466
  C      -2.344366     -1.474249      3.286279
  C      -2.433665     -0.446374      2.175488
  O      -3.588045     -0.829081      1.379186
  C      -4.072704     -0.124757      0.342189
  C      -5.044438     -0.784194     -0.409132
  C      -5.676783     -0.135331     -1.477876
  N      -5.433013      1.112475     -1.857313
  C      -4.472464      1.775284     -1.153140
  C      -4.174028      3.111585     -1.519343
  C      -3.193596      3.801508     -0.846899
  C      -2.502299      3.148242      0.198762
  N      -2.752595      1.910709      0.590375
  C      -3.729213      1.214148     -0.054083
  C      -3.737985      4.782284      5.037054
  C      -4.951025      4.973342      4.123402
  C      -4.522746      5.376838      2.719546
  O      -5.467136      5.019644      1.683470
  C      -6.625753      5.685804      1.586390
  C      -7.054681      6.719929      2.410155
  C      -8.328241      7.288445      2.198979
  N      -9.181890      6.933109      1.251169
  C      -8.758198      5.949586      0.400050
  C      -9.601529      5.547453     -0.664366
  C      -9.165370      4.581529     -1.544417
  C      -7.885917      4.010104     -1.354568
  N      -7.073863      4.335968     -0.361129
  C      -7.492809      5.290888      0.509287
  C      -6.395039      2.103525      6.884559
  C      -6.956233      3.546849      6.842835
  C      -8.269882      3.683195      6.091062
  O      -8.057251      3.175314      4.755962
  C      -9.066094      3.240492      3.869873
  C     -10.252756      3.939541      4.038102
  C     -11.214692      3.918026      3.004032
  N     -11.104008      3.247654      1.868596
  C      -9.950058      2.535283      1.696421
  C      -9.782707      1.764497      0.519738
  C      -8.625067      1.039655      0.342978
  C      -7.622246      1.104441      1.333188
  N      -7.737222      1.809351      2.448558
  C      -8.883182      2.510120      2.647529
  H      -3.453884     -2.143220      5.031323
  H      -4.362827     -1.063418      3.955893
  H      -1.327170     -1.441103      3.709123
  H      -2.477095     -2.481188      2.857639
  H      -1.545713     -0.452156      1.526271
  H      -2.568390      0.568217      2.570052
  H      -5.315512     -1.805842     -0.139810
  H      -6.437628     -0.676624     -2.050944
  H      -4.747677      3.556672     -2.333248
  H      -2.948016      4.833350     -1.102585
  H      -1.708445      3.673239      0.740847
  H      -3.039483      5.629655      4.875138
  H      -4.080722      4.883666      6.090815
  H      -5.615711      5.725086      4.571638
  H      -5.515117      4.031084      4.061259
  H      -3.621025      4.814459      2.444795
  H      -4.305739      6.456853      2.647224
  H      -6.436847      7.094746      3.222767
  H      -8.659487      8.087599      2.871491
  H     -10.579947      6.021992     -0.754475
  H      -9.790318      4.248815     -2.374468
  H      -7.512689      3.243568     -2.042850
  H      -6.761890      1.590064      7.795947
  H      -6.774350      1.552250      6.016433
  H      -6.212733      4.186209      6.347903
  H      -7.099903      3.952821      7.856301
  H      -8.574095      4.741907      6.043195
  H      -9.087308      3.104169      6.555459
  H     -10.454285      4.512384      4.941490
  H     -12.135564      4.495547      3.135999
  H     -10.583417      1.779480     -0.221749
  H      -8.460613      0.440039     -0.552942
  H      -6.682181      0.561876      1.200004
  N      -5.077480      1.606838      3.865296
  H      -6.009612      1.735569      3.416734
100
Coordinates from ORCA-job orca E -6429.525848692161
  N      -3.070243     -0.108590      5.228185
  Mo     -3.927589      1.690546      5.156440
  N      -4.943069      2.074907      6.825523
  C      -4.268910      2.561120      8.023113
  C      -2.936417      1.834372      8.162964
  N      -2.212033      1.904674      6.880073
  C      -1.293302      0.771816      6.659248
  C      -2.073871     -0.458180      6.234538
  C      -1.535135      3.203286      6.667345
  C      -1.640654      3.536132      5.176856
  N      -3.026520      3.509388      4.746087
  H      -1.356391     -1.205751      5.848030
  H      -2.565838     -0.933928      7.108483
  H      -0.618233      1.061601      5.841916
  H      -0.676232      0.570403      7.556163
  H      -1.179101      4.522912      4.978550
  H      -1.062959      2.792566      4.599290
  H      -2.066099      3.969822      7.249441
  H      -0.491949      3.166042      7.034644
  H      -4.883724      2.359791      8.920633
  H      -4.107688      3.658456      7.994571
  H      -3.137487      0.774970      8.377097
  H      -2.329246      2.246292      8.990891
  C      -3.430949     -1.248389      4.383559
  C      -2.391294     -1.504315      3.277420
  C      -2.436682     -0.459292      2.180005
  O      -3.584717     -0.795062      1.353638
  C      -4.040731     -0.040202      0.339793
  C      -5.034262     -0.636379     -0.435892
  C      -5.626744      0.067005     -1.493309
  N      -5.325671      1.313126     -1.837790
  C      -4.349450      1.917328     -1.102903
  C      -3.996523      3.251805     -1.423412
  C      -3.005349      3.885693     -0.712586
  C      -2.358008      3.177769      0.324924
  N      -2.656043      1.937638      0.671392
  C      -3.645750      1.297174     -0.009968
  C      -3.729514      4.763495      4.986518
  C      -4.955189      4.941198      4.086068
  C      -4.542281      5.327016      2.673119
  O      -5.494038      4.956193      1.648216
  C      -6.657484      5.612186      1.549058
  C      -7.084004      6.665249      2.348736
  C      -8.359091      7.226612      2.127782
  N      -9.215554      6.849842      1.191261
  C      -8.795265      5.845466      0.363718
  C      -9.638385      5.422651     -0.693243
  C      -9.204801      4.435493     -1.550218
  C      -7.929516      3.861183     -1.343036
  N      -7.115430      4.212386     -0.361055
  C      -7.530206      5.188885      0.486166
  C      -6.397572      2.138228      6.887479
  C      -6.936341      3.588231      6.847283
  C      -8.259887      3.735094      6.122630
  O      -8.059923      3.232475      4.784616
  C      -9.080326      3.278698      3.913230
  C     -10.267723      3.972844      4.088469
  C     -11.243920      3.928975      3.069039
  N     -11.144630      3.243935      1.941641
  C      -9.987662      2.538675      1.762080
  C      -9.831996      1.751875      0.594924
  C      -8.669366      1.038308      0.408964
  C      -7.654457      1.120738      1.386273
  N      -7.761390      1.832167      2.497616
  C      -8.908740      2.530812      2.699880
  H      -3.530120     -2.155728      5.009473
  H      -4.409656     -1.060915      3.924601
  H      -1.379301     -1.503466      3.713513
  H      -2.544125     -2.502923      2.836460
  H      -1.536896     -0.477551      1.547333
  H      -2.551756      0.552037      2.587076
  H      -5.347200     -1.654075     -0.200100
  H      -6.401464     -0.427556     -2.089146
  H      -4.539635      3.741549     -2.231859
  H      -2.719313      4.915309     -0.931537
  H      -1.555811      3.657727      0.895422
  H      -3.030203      5.605796      4.802938
  H      -4.055220      4.881084      6.043949
  H      -5.620680      5.694012      4.531362
  H      -5.516263      3.996079      4.042474
  H      -3.644397      4.759378      2.396615
  H      -4.322597      6.405421      2.586970
  H      -6.462841      7.061570      3.148517
  H      -8.686758      8.043387      2.780350
  H     -10.614018      5.899872     -0.796920
  H      -9.828852      4.089406     -2.375790
  H      -7.562724      3.070321     -2.005770
  H      -6.762853      1.634611      7.804797
  H      -6.793442      1.586431      6.027375
  H      -6.196060      4.215179      6.331011
  H      -7.052392      4.001949      7.861264
  H      -8.562310      4.794291      6.082745
  H      -9.070453      3.155742      6.598357
  H     -10.461321      4.557223      4.986381
  H     -12.167333      4.500734      3.207715
  H     -10.646458      1.741437     -0.130645
  H      -8.512471      0.429123     -0.481676
  H      -6.714520      0.580680      1.248059
  N      -5.113584      1.607576      3.848353
  H      -6.036251      1.774970      3.401659
100
Coordinates from ORCA-job orca E -6429.525811414547
  N      -3.058492     -0.106437      5.236997
  Mo     -3.916014      1.692727      5.153893
  N      -4.931794      2.080202      6.822303
  C      -4.257897      2.573707      8.017278
  C      -2.922382      1.852561      8.159473
  N      -2.199396      1.916575      6.875308
  C      -1.279907      0.783231      6.660829
  C      -2.059327     -0.450025      6.242630
  C      -1.523860      3.214901      6.654684
  C      -1.631930      3.539323      5.162952
  N      -3.018565      3.508647      4.735105
  H      -1.341290     -1.197853      5.857993
  H      -2.548906     -0.922157      7.119974
  H      -0.604486      1.068865      5.842209
  H      -0.662924      0.586901      7.558870
  H      -1.171179      4.525165      4.958208
  H      -1.055151      2.792333      4.589158
  H      -2.053519      3.984119      7.234279
  H      -0.479661      3.180004      7.019501
  H      -4.871403      2.373664      8.915937
  H      -4.100924      3.671709      7.984654
  H      -3.119901      0.793971      8.381020
  H      -2.315353      2.271945      8.983723
  C      -3.428216     -1.251397      4.403998
  C      -2.394893     -1.519175      3.294987
  C      -2.436485     -0.473098      2.198442
  O      -3.596334     -0.792303      1.381999
  C      -4.044366     -0.030233      0.369789
  C      -5.042891     -0.613024     -0.409591
  C      -5.626950      0.101265     -1.464329
  N      -5.310496      1.345044     -1.804267
  C      -4.328135      1.935686     -1.066559
  C      -3.957621      3.266596     -1.382803
  C      -2.963332      3.887701     -0.665266
  C      -2.330006      3.170433      0.374417
  N      -2.642811      1.932516      0.715217
  C      -3.635459      1.304571      0.026763
  C      -3.720964      4.766718      4.958082
  C      -4.942944      4.937569      4.051536
  C      -4.527121      5.291618      2.631172
  O      -5.484347      4.904262      1.617982
  C      -6.654701      5.549907      1.536206
  C      -7.090653      6.572247      2.369764
  C      -8.372107      7.126646      2.169253
  N      -9.227844      6.767303      1.225072
  C      -8.800521      5.790966      0.367839
  C      -9.641507      5.392796     -0.700327
  C      -9.198009      4.440455     -1.591439
  C      -7.916958      3.871992     -1.404117
  N      -7.105246      4.199712     -0.411882
  C      -7.527968      5.144955      0.466597
  C      -6.387207      2.137246      6.886893
  C      -6.935528      3.584067      6.839016
  C      -8.263929      3.723790      6.118479
  O      -8.078157      3.221310      4.777919
  C      -9.106770      3.279718      3.915859
  C     -10.300096      3.956318      4.121470
  C     -11.287616      3.928019      3.112494
  N     -11.195273      3.270822      1.968143
  C     -10.033752      2.581442      1.758363
  C      -9.888274      1.818818      0.573835
  C      -8.721674      1.120761      0.356275
  C      -7.692753      1.195231      1.318967
  N      -7.790518      1.882733      2.446507
  C      -8.942045      2.564030      2.681479
  H      -3.530977     -2.153575      5.036876
  H      -4.406985     -1.060838      3.946610
  H      -1.381232     -1.526545      3.726955
  H      -2.558599     -2.516392      2.854705
  H      -1.542263     -0.501102      1.558312
  H      -2.536034      0.539103      2.607863
  H      -5.367764     -1.627899     -0.177669
  H      -6.407471     -0.381599     -2.062242
  H      -4.490601      3.764640     -2.192973
  H      -2.665396      4.914900     -0.879641
  H      -1.526486      3.640357      0.951394
  H      -3.019060      5.605157      4.767376
  H      -4.050439      4.896444      6.012856
  H      -5.601594      5.706076      4.481140
  H      -5.511942      3.997315      4.026259
  H      -3.630695      4.716548      2.364522
  H      -4.307012      6.367784      2.522712
  H      -6.472264      6.947929      3.182157
  H      -8.707580      7.918598      2.847909
  H     -10.621527      5.864405     -0.788244
  H      -9.817404      4.118755     -2.430207
  H      -7.540362      3.108887     -2.094045
  H      -6.745096      1.638456      7.809736
  H      -6.783599      1.576664      6.033402
  H      -6.198902      4.213119      6.320343
  H      -7.052835      4.001021      7.851516
  H      -8.568066      4.782605      6.079450
  H      -9.071042      3.145059      6.600888
  H     -10.491627      4.511450      5.038186
  H     -12.216296      4.484352      3.276725
  H     -10.714737      1.813084     -0.138276
  H      -8.572144      0.530418     -0.548260
  H      -6.749605      0.667927      1.155402
  N      -5.104238      1.599820      3.848846
  H      -6.030224      1.753098      3.401703
100
Coordinates from ORCA-job orca E -6429.525929406998
  N      -3.065871     -0.111820      5.236573
  Mo     -3.928465      1.685282      5.163554
  N      -4.936199      2.069278      6.837801
  C      -4.256746      2.560746      8.030445
  C      -2.920129      1.840211      8.164815
  N      -2.203512      1.908751      6.877354
  C      -1.283185      0.777737      6.655683
  C      -2.062447     -0.455754      6.238094
  C      -1.532142      3.208989      6.656630
  C      -1.647929      3.536913      5.166338
  N      -3.036286      3.504443      4.743567
  H      -1.344573     -1.201682      5.849713
  H      -2.548308     -0.930306      7.116173
  H      -0.612555      1.066288      5.834060
  H      -0.661358      0.580493      7.550126
  H      -1.190035      4.524300      4.962163
  H      -1.071775      2.793020      4.587957
  H      -2.060737      3.975809      7.240356
  H      -0.486011      3.175931      7.016202
  H      -4.865504      2.359550      8.932077
  H      -4.099706      3.658834      7.998407
  H      -3.115541      0.780837      8.384673
  H      -2.309876      2.258116      8.987481
  C      -3.429433     -1.254307      4.397562
  C      -2.393086     -1.510459      3.288084
  C      -2.440312     -0.463574      2.192459
  O      -3.589914     -0.798424      1.367787
  C      -4.043447     -0.046477      0.350319
  C      -5.021649     -0.652733     -0.436762
  C      -5.609948      0.045038     -1.500072
  N      -5.318590      1.294609     -1.840034
  C      -4.356390      1.908581     -1.094821
  C      -4.013435      3.246665     -1.411907
  C      -3.036991      3.890929     -0.690214
  C      -2.393859      3.189580      0.354501
  N      -2.682899      1.946342      0.697683
  C      -3.657586      1.294951      0.004911
  C      -3.741549      4.759557      4.972965
  C      -4.962281      4.934088      4.065122
  C      -4.542010      5.310293      2.651450
  O      -5.489379      4.932545      1.625301
  C      -6.658326      5.579720      1.532759
  C      -7.100161      6.606323      2.358284
  C      -8.381701      7.157293      2.148799
  N      -9.231896      6.791952      1.201985
  C      -8.797017      5.814168      0.350163
  C      -9.633429      5.406636     -0.717926
  C      -9.184076      4.450315     -1.601664
  C      -7.900078      3.890145     -1.409242
  N      -7.093141      4.224687     -0.415104
  C      -7.523233      5.171853      0.457728
  C      -6.391303      2.132529      6.906602
  C      -6.932547      3.582529      6.865959
  C      -8.256831      3.730230      6.139637
  O      -8.062633      3.225254      4.801468
  C      -9.080846      3.289729      3.927549
  C     -10.269083      3.981259      4.111931
  C     -11.242278      3.957230      3.088824
  N     -11.140545      3.291672      1.949902
  C      -9.984382      2.586994      1.762150
  C      -9.828363      1.816603      0.583910
  C      -8.668297      1.100439      0.391087
  C      -7.654720      1.167077      1.370609
  N      -7.761094      1.865198      2.490768
  C      -8.907207      2.563101      2.701730
  H      -3.525392     -2.160480      5.025898
  H      -4.409780     -1.068675      3.941650
  H      -1.380057     -1.510309      3.721798
  H      -2.547702     -2.508457      2.846243
  H      -1.541836     -0.480759      1.557943
  H      -2.554757      0.547074      2.601831
  H      -5.327258     -1.673520     -0.204324
  H      -6.374329     -0.456430     -2.103597
  H      -4.552364      3.730911     -2.226713
  H      -2.759578      4.923683     -0.905884
  H      -1.604559      3.678418      0.935496
  H      -3.041471      5.600959      4.788562
  H      -4.073350      4.882183      6.027895
  H      -5.626739      5.692607      4.502611
  H      -5.525862      3.990398      4.025237
  H      -3.641340      4.742983      2.382729
  H      -4.325688      6.388854      2.559162
  H      -6.486750      6.987875      3.171261
  H      -8.722131      7.951751      2.822172
  H     -10.615738      5.872658     -0.810160
  H      -9.801621      4.118322     -2.437742
  H      -7.518818      3.125767     -2.095171
  H      -6.750349      1.630648      7.827420
  H      -6.791982      1.578690      6.050003
  H      -6.191439      4.210055      6.352019
  H      -7.050657      3.995656      7.879966
  H      -8.556236      4.790401      6.098496
  H      -9.069034      3.154235      6.616757
  H     -10.466129      4.547119      5.020794
  H     -12.166185      4.526426      3.235203
  H     -10.640879      1.820796     -0.144273
  H      -8.511327      0.503306     -0.507704
  H      -6.715731      0.626263      1.226550
  N      -5.123392      1.593854      3.864724
  H      -6.053534      1.746768      3.424159
100
Coordinates from ORCA-job orca E -6429.525805645741
  N      -3.054973     -0.116770      5.238233
  Mo     -3.916925      1.679644      5.152229
  N      -4.929607      2.073102      6.821092
  C      -4.254229      2.575092      8.011502
  C      -2.918513      1.854520      8.156354
  N      -2.196737      1.913179      6.871141
  C      -1.277361      0.779219      6.658706
  C      -2.058097     -0.455518      6.248051
  C      -1.522190      3.210597      6.644506
  C      -1.637168      3.533219      5.152381
  N      -3.025258      3.500830      4.729874
  H      -1.341201     -1.207899      5.870472
  H      -2.550168     -0.920348      7.127705
  H      -0.605110      1.061667      5.836381
  H      -0.657479      0.587155      7.555722
  H      -1.178898      4.519769      4.945163
  H      -1.061308      2.787152      4.576185
  H      -2.049592      3.980967      7.224741
  H      -0.476537      3.176843      7.005164
  H      -4.866052      2.382109      8.912880
  H      -4.096391      3.672641      7.970084
  H      -3.115622      0.797008      8.383182
  H      -2.311106      2.277669      8.978465
  C      -3.416611     -1.263592      4.403902
  C      -2.380326     -1.528796      3.296755
  C      -2.419013     -0.483142      2.199758
  O      -3.574523     -0.805708      1.378472
  C      -4.033589     -0.042997      0.371710
  C      -5.046345     -0.625241     -0.389513
  C      -5.642410      0.085082     -1.440109
  N      -5.327825      1.325957     -1.790772
  C      -4.333597      1.917199     -1.069713
  C      -3.966527      3.246179     -1.397253
  C      -2.956362      3.866908     -0.701757
  C      -2.304074      3.151078      0.327281
  N      -2.615389      1.916020      0.680503
  C      -3.623720      1.288298      0.014401
  C      -3.731889      4.751692      4.974815
  C      -4.959094      4.929438      4.075833
  C      -4.548428      5.341386      2.668969
  O      -5.489383      4.973726      1.632330
  C      -6.659853      5.617492      1.531550
  C      -7.108436      6.651174      2.344575
  C      -8.390957      7.195663      2.124510
  N      -9.234693      6.821484      1.175665
  C      -8.791459      5.840080      0.332816
  C      -9.621039      5.421842     -0.736428
  C      -9.165446      4.458173     -1.608620
  C      -7.881062      3.903380     -1.404992
  N      -7.079513      4.249431     -0.410665
  C      -7.516559      5.202041      0.452496
  C      -6.384756      2.125940      6.887011
  C      -6.936461      3.571390      6.842025
  C      -8.271930      3.704206      6.134506
  O      -8.088374      3.210292      4.790312
  C      -9.121587      3.260540      3.933613
  C     -10.314911      3.936410      4.139033
  C     -11.304278      3.902510      3.131884
  N     -11.210763      3.245557      1.987423
  C     -10.047510      2.559388      1.777081
  C      -9.894815      1.806903      0.586847
  C      -8.725796      1.113057      0.368966
  C      -7.701111      1.182014      1.336988
  N      -7.804178      1.863507      2.467303
  C      -8.957541      2.541774      2.701734
  H      -3.515839     -2.166243      5.036672
  H      -4.395836     -1.078426      3.945182
  H      -1.367462     -1.536707      3.730735
  H      -2.542637     -2.526230      2.856502
  H      -1.522120     -0.510747      1.563245
  H      -2.520895      0.529011      2.608144
  H      -5.371785     -1.637516     -0.147324
  H      -6.432904     -0.398620     -2.024027
  H      -4.514156      3.742596     -2.198575
  H      -2.659004      4.892107     -0.926508
  H      -1.487536      3.620600      0.886051
  H      -3.035550      5.597186      4.794592
  H      -4.057506      4.863986      6.032745
  H      -5.631337      5.669250      4.531923
  H      -5.511395      3.979570      4.019313
  H      -3.641426      4.790754      2.387795
  H      -4.343858      6.424004      2.599298
  H      -6.499743      7.043647      3.155242
  H      -8.736448      7.995359      2.788946
  H     -10.604307      5.883845     -0.837036
  H      -9.778732      4.116170     -2.443821
  H      -7.496390      3.131996     -2.080316
  H      -6.742521      1.624469      7.808567
  H      -6.779723      1.566006      6.031697
  H      -6.208156      4.201212      6.312294
  H      -7.042401      3.990718      7.854776
  H      -8.587626      4.759834      6.102524
  H      -9.069244      3.114499      6.619844
  H     -10.503009      4.499756      5.051325
  H     -12.232731      4.459410      3.295243
  H     -10.716093      1.808306     -0.131207
  H      -8.570235      0.531781     -0.540336
  H      -6.755104      0.658797      1.173431
  N      -5.105074      1.587598      3.847230
  H      -6.027389      1.758569      3.397867
100
Coordinates from ORCA-job orca E -6429.525987416677
  N      -3.066204     -0.114738      5.241789
  Mo     -3.927041      1.682501      5.158106
  N      -4.929702      2.076851      6.832847
  C      -4.247496      2.578593      8.019520
  C      -2.910866      1.858459      8.156609
  N      -2.196958      1.916022      6.867012
  C      -1.279560      0.781313      6.650892
  C      -2.063326     -0.453339      6.245545
  C      -1.523090      3.213018      6.635525
  C      -1.644735      3.532687      5.143655
  N      -3.034726      3.500183      4.727290
  H      -1.348804     -1.205760      5.863565
  H      -2.550035     -0.917810      7.128429
  H      -0.611208      1.062479      5.824928
  H      -0.655248      0.589478      7.544834
  H      -1.186477      4.518232      4.931838
  H      -1.072278      2.784540      4.566889
  H      -2.047251      3.984511      7.217159
  H      -0.475676      3.179222      6.991023
  H      -4.854200      2.385112      8.924214
  H      -4.090334      3.676260      7.977801
  H      -3.106431      0.801113      8.385619
  H      -2.298390      2.282484      8.974454
  C      -3.431745     -1.261012      4.408649
  C      -2.395268     -1.528528      3.302320
  C      -2.433483     -0.484531      2.203681
  O      -3.584481     -0.812548      1.378267
  C      -4.038742     -0.053210      0.366804
  C      -5.033546     -0.645181     -0.410350
  C      -5.620791      0.060149     -1.469230
  N      -5.313827      1.304803     -1.813464
  C      -4.337344      1.905737     -1.076331
  C      -3.979425      3.239190     -1.395972
  C      -2.988161      3.870078     -0.682634
  C      -2.345254      3.159942      0.356221
  N      -2.648154      1.920682      0.701855
  C      -3.638014      1.282924      0.017942
  C      -3.738071      4.755228      4.961201
  C      -4.960567      4.931056      4.055952
  C      -4.542195      5.321520      2.645442
  O      -5.484923      4.946900      1.613495
  C      -6.657286      5.587756      1.520027
  C      -7.109735      6.606077      2.349904
  C      -8.393338      7.150877      2.137051
  N      -9.235576      6.788421      1.182186
  C      -8.789753      5.820252      0.325325
  C      -9.616750      5.417411     -0.751832
  C      -9.156730      4.470486     -1.640120
  C      -7.871520      3.915039     -1.443304
  N      -7.072505      4.246707     -0.442043
  C      -7.513096      5.184141      0.435881
  C      -6.384521      2.129238      6.907320
  C      -6.938100      3.574015      6.868110
  C      -8.272712      3.706868      6.158848
  O      -8.084987      3.219270      4.813058
  C      -9.115721      3.268927      3.953216
  C     -10.319215      3.925159      4.164286
  C     -11.305120      3.891288      3.153771
  N     -11.199795      3.250039      2.001411
  C     -10.026719      2.582448      1.785512
  C      -9.862598      1.843771      0.588167
  C      -8.683862      1.168237      0.364781
  C      -7.661269      1.241429      1.334596
  N      -7.775245      1.909204      2.472187
  C      -8.938323      2.568868      2.712201
  H      -3.532940     -2.162889      5.042195
  H      -4.410351     -1.073655      3.949506
  H      -1.382724     -1.535215      3.737043
  H      -2.556935     -2.526633      2.863364
  H      -1.534165     -0.510082      1.570593
  H      -2.540397      0.528033      2.610191
  H      -5.351544     -1.661364     -0.174689
  H      -6.397036     -0.431006     -2.065929
  H      -4.519040      3.730936     -2.205594
  H      -2.698773      4.898987     -0.900710
  H      -1.543779      3.637729      0.929581
  H      -3.037914      5.596514      4.776497
  H      -4.066681      4.876590      6.017165
  H      -5.628717      5.682303      4.500114
  H      -5.519380      3.985100      4.009490
  H      -3.637792      4.762064      2.372851
  H      -4.332161      6.402047      2.562581
  H      -6.503276      6.985518      3.168938
  H      -8.742075      7.938435      2.814152
  H     -10.600702      5.879251     -0.846892
  H      -9.766743      4.142654     -2.483350
  H      -7.482400      3.157244     -2.131588
  H      -6.736097      1.625873      7.830172
  H      -6.784131      1.570534      6.053648
  H      -6.209863      4.207254      6.342588
  H      -7.046843      3.988760      7.882459
  H      -8.590199      4.762092      6.131007
  H      -9.069809      3.113408      6.640024
  H     -10.519181      4.470426      5.085046
  H     -12.242477      4.431474      3.322464
  H     -10.683714      1.840018     -0.130130
  H      -8.519501      0.597894     -0.549915
  H      -6.708415      0.732333      1.167069
  N      -5.124387      1.588559      3.861582
  H      -6.050186      1.754413      3.418042
100
Coordinates from ORCA-job orca E -6429.526052243882
  N      -3.072824     -0.122423      5.245512
  Mo     -3.936395      1.673537      5.159419
  N      -4.921608      2.074135      6.843277
  C      -4.228287      2.584673      8.019628
  C      -2.889205      1.867387      8.147936
  N      -2.188458      1.918013      6.850824
  C      -1.273062      0.782434      6.632060
  C      -2.061141     -0.454742      6.242879
  C      -1.518282      3.214631      6.606061
  C      -1.659538      3.529581      5.114978
  N      -3.054245      3.493251      4.714907
  H      -1.350558     -1.210389      5.860381
  H      -2.540566     -0.911681      7.133605
  H      -0.613932      1.058488      5.796879
  H      -0.639038      0.596383      7.520372
  H      -1.205190      4.515177      4.894429
  H      -1.093036      2.780284      4.533945
  H      -2.034074      3.987976      7.192684
  H      -0.465940      3.182206      6.947007
  H      -4.825488      2.396692      8.931776
  H      -4.072494      3.682308      7.968972
  H      -3.080933      0.811413      8.386498
  H      -2.269193      2.298057      8.956582
  C      -3.441496     -1.271594      4.418158
  C      -2.405462     -1.546603      3.312918
  C      -2.433876     -0.502002      2.214595
  O      -3.585229     -0.821352      1.386753
  C      -4.036064     -0.054703      0.379337
  C      -5.036763     -0.636120     -0.398348
  C      -5.619035      0.077139     -1.454641
  N      -5.301048      1.319888     -1.796338
  C      -4.319301      1.910930     -1.058027
  C      -3.949117      3.241810     -1.375096
  C      -2.953605      3.862906     -0.659230
  C      -2.318501      3.145556      0.379461
  N      -2.631664      1.907902      0.721592
  C      -3.625749      1.279696      0.034989
  C      -3.760650      4.746470      4.950514
  C      -4.982854      4.919920      4.043619
  C      -4.563404      5.326438      2.637411
  O      -5.491283      4.942801      1.594979
  C      -6.677251      5.558026      1.501169
  C      -7.163872      6.544592      2.349881
  C      -8.459178      7.061038      2.137074
  N      -9.282462      6.699847      1.165239
  C      -8.802571      5.765730      0.289072
  C      -9.607755      5.369150     -0.806882
  C      -9.113601      4.458383     -1.714797
  C      -7.815280      3.933575     -1.519659
  N      -7.036093      4.259476     -0.500893
  C      -7.510670      5.160675      0.397244
  C      -6.375615      2.126023      6.931118
  C      -6.929290      3.570684      6.894832
  C      -8.267828      3.702361      6.193057
  O      -8.084338      3.221853      4.843899
  C      -9.117724      3.281424      3.987849
  C     -10.324393      3.926588      4.215766
  C     -11.311957      3.911261      3.206387
  N     -11.204922      3.298253      2.039064
  C     -10.029413      2.640430      1.806637
  C      -9.864337      1.931545      0.591536
  C      -8.684865      1.263653      0.351618
  C      -7.661241      1.317185      1.321690
  N      -7.774824      1.959105      2.474019
  C      -8.939693      2.609188      2.731456
  H      -3.544810     -2.170597      5.055582
  H      -4.419538     -1.083503      3.958346
  H      -1.393577     -1.560940      3.749019
  H      -2.574026     -2.543415      2.873569
  H      -1.533364     -0.533533      1.583362
  H      -2.534258      0.511153      2.621483
  H      -5.363835     -1.649856     -0.164530
  H      -6.400216     -0.405647     -2.051895
  H      -4.483624      3.740004     -2.184107
  H      -2.655831      4.890046     -0.874523
  H      -1.514025      3.615459      0.955214
  H      -3.062663      5.590066      4.767742
  H      -4.090750      4.865164      6.006217
  H      -5.658114      5.662288      4.492047
  H      -5.533333      3.969601      3.988780
  H      -3.647161      4.785280      2.366945
  H      -4.372548      6.411212      2.562960
  H      -6.575825      6.918725      3.184678
  H      -8.835624      7.821656      2.830032
  H     -10.602949      5.806925     -0.900123
  H      -9.706336      4.135979     -2.572342
  H      -7.399106      3.202730     -2.221893
  H      -6.719162      1.623324      7.857589
  H      -6.782694      1.566612      6.081389
  H      -6.204667      4.203491      6.363494
  H      -7.031664      3.986472      7.909432
  H      -8.588672      4.756922      6.171215
  H      -9.060885      3.103836      6.674666
  H     -10.524833      4.450412      5.148834
  H     -12.251899      4.442614      3.388852
  H     -10.685579      1.944794     -0.126739
  H      -8.519175      0.716448     -0.576901
  H      -6.707425      0.815384      1.140572
  N      -5.147174      1.575483      3.875948
  H      -6.075730      1.745031      3.438945
100
Coordinates from ORCA-job orca E -6429.526221666586
  N      -3.077752     -0.123719      5.249217
  Mo     -3.943408      1.671441      5.165869
  N      -4.909440      2.072571      6.860303
  C      -4.203775      2.588591      8.026878
  C      -2.861413      1.875153      8.142211
  N      -2.175880      1.922075      6.836601
  C      -1.262702      0.785992      6.611577
  C      -2.055889     -0.452287      6.237085
  C      -1.509719      3.218735      6.580521
  C      -1.668511      3.530041      5.090564
  N      -3.067576      3.488953      4.706467
  H      -1.350454     -1.210982      5.851405
  H      -2.526271     -0.903491      7.135588
  H      -0.613354      1.058523      5.767553
  H      -0.618620      0.603158      7.493268
  H      -1.219462      4.516180      4.862101
  H      -1.106716      2.780641      4.505092
  H      -2.019730      3.993043      7.170951
  H      -0.453463      3.188421      6.909405
  H      -4.790190      2.402675      8.946437
  H      -4.051056      3.686537      7.970880
  H      -3.047260      0.819846      8.388292
  H      -2.232919      2.311196      8.941357
  C      -3.459903     -1.275337      4.431870
  C      -2.433031     -1.564261      3.322023
  C      -2.454215     -0.518462      2.224776
  O      -3.612178     -0.823827      1.400915
  C      -4.054659     -0.051523      0.394098
  C      -5.059391     -0.622283     -0.386199
  C      -5.625243      0.094026     -1.449270
  N      -5.287103      1.330458     -1.795238
  C      -4.305142      1.913256     -1.050636
  C      -3.917061      3.238860     -1.369018
  C      -2.925066      3.853305     -0.642692
  C      -2.311039      3.134496      0.407572
  N      -2.638798      1.900440      0.748826
  C      -3.629437      1.278582      0.051368
  C      -3.776911      4.741482      4.939306
  C      -5.000845      4.906138      4.032240
  C      -4.582934      5.321988      2.627459
  O      -5.493810      4.922746      1.575165
  C      -6.694149      5.508059      1.473984
  C      -7.224894      6.455304      2.340694
  C      -8.532047      6.937701      2.120219
  N      -9.327209      6.580331      1.123909
  C      -8.803106      5.689031      0.228760
  C      -9.575986      5.303311     -0.893978
  C      -9.037618      4.438076     -1.821455
  C      -7.727025      3.947928     -1.619316
  N      -6.977269      4.264132     -0.575564
  C      -7.495169      5.120272      0.342485
  C      -6.362379      2.122578      6.963150
  C      -6.918249      3.566018      6.932840
  C      -8.264648      3.692948      6.245852
  O      -8.088575      3.226353      4.891029
  C      -9.128117      3.290209      4.042619
  C     -10.346235      3.903371      4.297857
  C     -11.339066      3.901567      3.293698
  N     -11.225038      3.333000      2.104800
  C     -10.037393      2.708344      1.844052
  C      -9.862463      2.051679      0.601195
  C      -8.670861      1.417845      0.331646
  C      -7.645226      1.452416      1.300380
  N      -7.767298      2.046313      2.477443
  C      -8.943491      2.663825      2.763517
  H      -3.566907     -2.169847      5.075181
  H      -4.438694     -1.081542      3.976235
  H      -1.418904     -1.591610      3.752212
  H      -2.616504     -2.558807      2.883536
  H      -1.556423     -0.559335      1.590153
  H      -2.541424      0.495308      2.633235
  H      -5.400650     -1.630962     -0.150902
  H      -6.408908     -0.380980     -2.049571
  H      -4.436661      3.739513     -2.186012
  H      -2.615216      4.876930     -0.857775
  H      -1.510561      3.599599      0.992759
  H      -3.082194      5.586917      4.753042
  H      -4.105849      4.861772      5.995010
  H      -5.683634      5.640286      4.482755
  H      -5.541316      3.950835      3.975725
  H      -3.654370      4.799513      2.361767
  H      -4.414076      6.410661      2.555918
  H      -6.663468      6.821902      3.196723
  H      -8.944000      7.664850      2.828753
  H     -10.582654      5.713337     -0.991645
  H      -9.604853      4.125479     -2.699620
  H      -7.276039      3.250573     -2.334398
  H      -6.696016      1.619320      7.893106
  H      -6.777455      1.562451      6.117831
  H      -6.201424      4.200726      6.392610
  H      -7.010229      3.981443      7.948624
  H      -8.594599      4.745074      6.235643
  H      -9.048099      3.083954      6.730183
  H     -10.551761      4.391593      5.248963
  H     -12.289374      4.405578      3.499215
  H     -10.685656      2.078221     -0.114637
  H      -8.495942      0.914281     -0.619550
  H      -6.682310      0.977581      1.096552
  N      -5.168995      1.573393      3.896319
  H      -6.097831      1.754143      3.463551
100
Coordinates from ORCA-job orca E -6429.526229467539
  N      -3.081815     -0.122459      5.253225
  Mo     -3.948967      1.672111      5.174390
  N      -4.895794      2.071374      6.879523
  C      -4.177896      2.591696      8.036760
  C      -2.832109      1.882291      8.137937
  N      -2.161973      1.926715      6.823864
  C      -1.251123      0.790197      6.591385
  C      -2.049529     -0.448545      6.230518
  C      -1.499568      3.223455      6.557662
  C      -1.675068      3.531947      5.069160
  N      -3.078232      3.486561      4.700934
  H      -1.349668     -1.210133      5.840667
  H      -2.510386     -0.894834      7.136476
  H      -0.611509      1.059977      5.739032
  H      -0.597209      0.609420      7.466201
  H      -1.231415      4.518664      4.833394
  H      -1.117927      2.782646      4.479089
  H      -2.004243      3.998433      7.151830
  H      -0.439797      3.194928      6.875242
  H      -4.753373      2.406566      8.963384
  H      -4.028800      3.690081      7.976920
  H      -3.011621      0.827413      8.390491
  H      -2.195112      2.323039      8.927690
  C      -3.481195     -1.275770      4.446997
  C      -2.467139     -1.580638      3.330281
  C      -2.483363     -0.533803      2.233937
  O      -3.650155     -0.824688      1.417080
  C      -4.085287     -0.047613      0.410631
  C      -5.093320     -0.609106     -0.372014
  C      -5.642062      0.108070     -1.443372
  N      -5.283791      1.337369     -1.795247
  C      -4.303199      1.913888     -1.043965
  C      -3.898212      3.234029     -1.364612
  C      -2.912246      3.844290     -0.626713
  C      -2.320737      3.126671      0.437163
  N      -2.661787      1.896206      0.778166
  C      -3.646483      1.278245      0.068723
  C      -3.789848      4.738957      4.930827
  C      -5.016262      4.893473      4.024574
  C      -4.601681      5.317505      2.620139
  O      -5.495342      4.901143      1.558715
  C      -6.710144      5.454054      1.448767
  C      -7.287017      6.357769      2.332128
  C      -8.606057      6.802331      2.102715
  N      -9.371455      6.449080      1.082003
  C      -8.801419      5.605220      0.169258
  C      -9.540605      5.231085     -0.979736
  C      -8.956538      4.416180     -1.925378
  C      -7.633640      3.964497     -1.715219
  N      -6.914646      4.270309     -0.646981
  C      -7.477113      5.076828      0.289677
  C      -6.347633      2.119219      6.996140
  C      -6.905852      3.561124      6.969703
  C      -8.259257      3.682439      6.295829
  O      -8.088543      3.229389      4.935793
  C      -9.132147      3.296947      4.092237
  C     -10.362270      3.875264      4.371561
  C     -11.358248      3.886788      3.370756
  N     -11.234772      3.365706      2.161247
  C     -10.034326      2.777695      1.874966
  C      -9.846867      2.177592      0.605393
  C      -8.642114      1.582169      0.308722
  C      -7.616378      1.596923      1.277695
  N      -7.749884      2.138156      2.478826
  C      -8.938112      2.719597      2.791153
  H      -3.592438     -2.165264      5.096722
  H      -4.461063     -1.074148      3.997306
  H      -1.449743     -1.622259      3.751450
  H      -2.668024     -2.572581      2.893572
  H      -1.590025     -0.584516      1.593727
  H      -2.555875      0.480535      2.643955
  H      -5.448146     -1.612511     -0.134392
  H      -6.427286     -0.360476     -2.046758
  H      -4.401885      3.735222     -2.190985
  H      -2.591341      4.864429     -0.842208
  H      -1.526325      3.589070      1.032696
  H      -3.098600      5.586017      4.739720
  H      -4.116348      4.861586      5.986804
  H      -5.706497      5.619271      4.477193
  H      -5.545939      3.933191      3.968282
  H      -3.660968      4.814493      2.359039
  H      -4.456174      6.409714      2.550236
  H      -6.753826      6.716005      3.209276
  H      -9.054957      7.492443      2.825707
  H     -10.558944      5.610221     -1.082638
  H      -9.497186      4.114383     -2.823799
  H      -7.146474      3.303958     -2.441807
  H      -6.672112      1.616145      7.929584
  H      -6.769581      1.557325      6.155753
  H      -6.196506      4.197465      6.420837
  H      -6.988663      3.976986      7.986145
  H      -8.598275      4.731938      6.296560
  H      -9.033654      3.063314      6.782041
  H     -10.575024      4.325526      5.339672
  H     -12.319418      4.360693      3.596927
  H     -10.670694      2.217495     -0.109304
  H      -8.455744      1.126683     -0.664232
  H      -6.643508      1.152463      1.053332
  N      -5.189517      1.575727      3.918993
  H      -6.117788      1.769462      3.489744
100
Coordinates from ORCA-job orca E -6429.526248070651
  N      -3.081316     -0.109129      5.244149
  Mo     -3.937307      1.691421      5.169820
  N      -4.897345      2.083856      6.867837
  C      -4.185396      2.592914      8.033825
  C      -2.843180      1.877925      8.140737
  N      -2.163337      1.925631      6.831661
  C      -1.256322      0.785547      6.600850
  C      -2.057805     -0.446501      6.225483
  C      -1.491890      3.219966      6.576456
  C      -1.646518      3.532952      5.086439
  N      -3.046469      3.493394      4.705631
  H      -1.359011     -1.209224      5.835381
  H      -2.526493     -0.897428      7.125340
  H      -0.606436      1.056498      5.756818
  H      -0.612555      0.595499      7.481156
  H      -1.197906      4.518806      4.858419
  H      -1.085434      2.783992      4.499458
  H      -2.004584      3.995209      7.163465
  H      -0.437265      3.187939      6.910226
  H      -4.768939      2.403770      8.954634
  H      -4.032482      3.691179      7.982935
  H      -3.027353      0.822363      8.386752
  H      -2.210101      2.312219      8.937153
  C      -3.497541     -1.261008      4.444195
  C      -2.494711     -1.576132      3.321207
  C      -2.512217     -0.529088      2.225722
  O      -3.687001     -0.810154      1.416599
  C      -4.105765     -0.035567      0.401647
  C      -5.101309     -0.596814     -0.396486
  C      -5.622813      0.115188     -1.484822
  N      -5.249659      1.339662     -1.838286
  C      -4.286657      1.918771     -1.066750
  C      -3.873735      3.237387     -1.383077
  C      -2.911105      3.853271     -0.619357
  C      -2.350944      3.142654      0.466039
  N      -2.697851      1.912632      0.801702
  C      -3.659065      1.288743      0.065647
  C      -3.753737      4.749488      4.929808
  C      -4.990226      4.899699      4.036184
  C      -4.590723      5.303081      2.622248
  O      -5.501297      4.884522      1.576626
  C      -6.709506      5.451820      1.470876
  C      -7.272237      6.366326      2.352043
  C      -8.588258      6.822640      2.127751
  N      -9.362497      6.472996      1.112658
  C      -8.805878      5.618601      0.201742
  C      -9.555153      5.245060     -0.940653
  C      -8.985426      4.416749     -1.883350
  C      -7.667659      3.950028     -1.675669
  N      -6.939343      4.255737     -0.613183
  C      -7.486783      5.076361      0.318751
  C      -6.349349      2.143270      6.976654
  C      -6.899329      3.588091      6.937322
  C      -8.253285      3.705947      6.265167
  O      -8.087375      3.232881      4.913483
  C      -9.132546      3.286688      4.071979
  C     -10.363574      3.866065      4.343975
  C     -11.362484      3.852631      3.346577
  N     -11.239361      3.309299      2.146700
  C     -10.035594      2.724983      1.867327
  C      -9.844353      2.107602      0.606974
  C      -8.633706      1.519984      0.316996
  C      -7.607810      1.553975      1.285240
  N      -7.746051      2.108454      2.480196
  C      -8.937965      2.688031      2.782443
  H      -3.614077     -2.148096      5.096323
  H      -4.478074     -1.049950      4.000210
  H      -1.474089     -1.625385      3.733564
  H      -2.706777     -2.566676      2.886753
  H      -1.624134     -0.585856      1.578770
  H      -2.574385      0.485193      2.637230
  H      -5.463700     -1.598099     -0.161561
  H      -6.396508     -0.354177     -2.102093
  H      -4.353993      3.733817     -2.225992
  H      -2.585338      4.872704     -0.830723
  H      -1.576908      3.610793      1.083485
  H      -3.062372      5.593143      4.726026
  H      -4.069475      4.880030      5.988033
  H      -5.670598      5.634049      4.489538
  H      -5.527203      3.942082      3.998438
  H      -3.659266      4.786496      2.354978
  H      -4.435918      6.392941      2.538128
  H      -6.731085      6.724163      3.224006
  H      -9.025585      7.521439      2.849399
  H     -10.569723      5.634786     -1.040773
  H      -9.534409      4.114899     -2.776818
  H      -7.193110      3.277468     -2.398644
  H      -6.680680      1.650092      7.912761
  H      -6.772270      1.577377      6.138278
  H      -6.187227      4.216084      6.382291
  H      -6.979971      4.013662      7.949942
  H      -8.590885      4.755738      6.251926
  H      -9.027011      3.096130      6.764175
  H     -10.575630      4.333742      5.303657
  H     -12.325882      4.324564      3.567115
  H     -10.668712      2.128907     -0.107406
  H      -8.443321      1.055412     -0.650683
  H      -6.631482      1.113186      1.067159
  N      -5.166263      1.609118      3.901484
  H      -6.085449      1.817009      3.459045
100
Coordinates from ORCA-job orca E -6429.526327110171
  N      -3.090144     -0.124823      5.256495
  Mo     -3.943636      1.675079      5.159395
  N      -4.895057      2.093046      6.857116
  C      -4.178106      2.620365      8.011711
  C      -2.836906      1.904378      8.124964
  N      -2.161642      1.930963      6.813122
  C      -1.258836      0.784950      6.594610
  C      -2.065484     -0.450747      6.241318
  C      -1.487194      3.219396      6.537239
  C      -1.655460      3.516653      5.045145
  N      -3.058357      3.478842      4.676582
  H      -1.370288     -1.221877      5.861640
  H      -2.533968     -0.885156      7.149130
  H      -0.613407      1.042353      5.742914
  H      -0.610392      0.606617      7.473999
  H      -1.204472      4.498264      4.802746
  H      -1.103011      2.758722      4.461529
  H      -1.988722      4.003442      7.122175
  H      -0.429161      3.185350      6.859734
  H      -4.758217      2.447359      8.937797
  H      -4.022889      3.717230      7.941992
  H      -3.023224      0.853267      8.387837
  H      -2.200010      2.349308      8.912403
  C      -3.498681     -1.282038      4.459980
  C      -2.485844     -1.603657      3.347316
  C      -2.492925     -0.563829      2.244546
  O      -3.656377     -0.852230      1.421845
  C      -4.082573     -0.069429      0.416488
  C      -5.079489     -0.627015     -0.382826
  C      -5.613593      0.095829     -1.457851
  N      -5.252976      1.328089     -1.796565
  C      -4.286337      1.902352     -1.026050
  C      -3.883873      3.227516     -1.328119
  C      -2.913865      3.836592     -0.568304
  C      -2.335553      3.112752      0.498692
  N      -2.674380      1.877329      0.822517
  C      -3.643519      1.260364      0.091277
  C      -3.760689      4.735433      4.910634
  C      -4.996269      4.898938      4.018232
  C      -4.596349      5.327922      2.611958
  O      -5.508370      4.930297      1.559261
  C      -6.717664      5.497934      1.467370
  C      -7.276407      6.401151      2.362805
  C      -8.594656      6.857444      2.152718
  N      -9.375536      6.516816      1.139623
  C      -8.823477      5.674006      0.215328
  C      -9.581405      5.308818     -0.924066
  C      -9.017191      4.491566     -1.879378
  C      -7.695856      4.027959     -1.687908
  N      -6.959043      4.325942     -0.629247
  C      -7.501675      5.135014      0.315808
  C      -6.346585      2.148587      6.972305
  C      -6.902390      3.590945      6.926506
  C      -8.257193      3.699858      6.254223
  O      -8.085472      3.234504      4.899721
  C      -9.131453      3.273765      4.058704
  C     -10.372495      3.830252      4.332170
  C     -11.371664      3.800367      3.335026
  N     -11.240134      3.259520      2.134914
  C     -10.026497      2.696407      1.854545
  C      -9.827156      2.077085      0.596166
  C      -8.606860      1.510175      0.305764
  C      -7.578297      1.570274      1.270324
  N      -7.724548      2.126265      2.463103
  C      -8.927303      2.681043      2.767920
  H      -3.619343     -2.164926      5.116774
  H      -4.475769     -1.074706      4.006559
  H      -1.469131     -1.650496      3.769488
  H      -2.694314     -2.596815      2.917085
  H      -1.596649     -0.622686      1.609028
  H      -2.562068      0.452907      2.648610
  H      -5.435243     -1.632794     -0.157172
  H      -6.388476     -0.370578     -2.075838
  H      -4.377345      3.733825     -2.157487
  H      -2.595615      4.860527     -0.769069
  H      -1.554132      3.574584      1.111546
  H      -3.065589      5.577710      4.712941
  H      -4.075534      4.860324      5.969779
  H      -5.677309      5.625485      4.482903
  H      -5.532643      3.941361      3.964000
  H      -3.665157      4.816250      2.334710
  H      -4.440478      6.418943      2.547811
  H      -6.730066      6.749518      3.235390
  H      -9.028649      7.546750      2.885389
  H     -10.598037      5.695942     -1.011639
  H      -9.572736      4.196641     -2.770907
  H      -7.225765      3.364146     -2.421659
  H      -6.672562      1.658964      7.912183
  H      -6.770557      1.576909      6.138760
  H      -6.193819      4.218498      6.366965
  H      -6.983363      4.022156      7.936621
  H      -8.603661      4.746726      6.245231
  H      -9.026422      3.080775      6.748696
  H     -10.592236      4.292138      5.292873
  H     -12.343253      4.254540      3.556656
  H     -10.653559      2.080697     -0.116254
  H      -8.410481      1.044206     -0.659998
  H      -6.593030      1.150538      1.050013
  N      -5.177859      1.581681      3.897627
  H      -6.096782      1.792506      3.456813
100
Coordinates from ORCA-job orca E -6429.526326439695
  N      -3.068138     -0.127028      5.254333
  Mo     -3.939849      1.664228      5.164156
  N      -4.900446      2.067569      6.861645
  C      -4.191001      2.594345      8.020918
  C      -2.843855      1.890512      8.133712
  N      -2.165485      1.931738      6.824294
  C      -1.250146      0.796560      6.602248
  C      -2.042215     -0.446299      6.240329
  C      -1.504125      3.228415      6.556455
  C      -1.669560      3.529062      5.064662
  N      -3.070170      3.479588      4.688337
  H      -1.337089     -1.207360      5.858499
  H      -2.508446     -0.890953      7.144337
  H      -0.605698      1.064951      5.753229
  H      -0.601885      0.620967      7.482290
  H      -1.226246      4.515499      4.827242
  H      -1.107291      2.778357      4.481153
  H      -2.015899      4.005241      7.142139
  H      -0.446961      3.204426      6.882614
  H      -4.771293      2.410702      8.944835
  H      -4.045584      3.692926      7.957874
  H      -3.020788      0.835933      8.389137
  H      -2.213738      2.336474      8.926027
  C      -3.461201     -1.286745      4.453345
  C      -2.443419     -1.593305      3.340384
  C      -2.461271     -0.553847      2.237434
  O      -3.623112     -0.852672      1.415882
  C      -4.056765     -0.077753      0.407101
  C      -5.051968     -0.647046     -0.385993
  C      -5.602287      0.069746     -1.456950
  N      -5.258843      1.306080     -1.798060
  C      -4.289676      1.889509     -1.037591
  C      -3.901787      3.217530     -1.345997
  C      -2.928635      3.835806     -0.597674
  C      -2.333094      3.118444      0.464233
  N      -2.658870      1.881236      0.794347
  C      -3.630659      1.254813      0.074681
  C      -3.783808      4.730009      4.920273
  C      -5.011408      4.891666      4.016283
  C      -4.599948      5.329159      2.616217
  O      -5.507171      4.940719      1.556282
  C      -6.711699      5.517317      1.458042
  C      -7.260074      6.439563      2.340531
  C      -8.573969      6.905580      2.125547
  N      -9.361333      6.554247      1.121237
  C      -8.819989      5.690340      0.210004
  C      -9.586412      5.309569     -0.918489
  C      -9.032636      4.472026     -1.861827
  C      -7.713011      4.003808     -1.669438
  N      -6.968383      4.315008     -0.620226
  C      -7.501681      5.143453      0.313854
  C      -6.352934      2.114596      6.976140
  C      -6.913330      3.556381      6.940873
  C      -8.264302      3.676982      6.261474
  O      -8.092711      3.217309      4.904806
  C      -9.132152      3.291043      4.057305
  C     -10.354867      3.890545      4.321864
  C     -11.347002      3.896004      3.317268
  N     -11.227162      3.347922      2.119062
  C     -10.033279      2.739827      1.848460
  C      -9.849886      2.104803      0.595345
  C      -8.650465      1.489208      0.316708
  C      -7.626480      1.517508      1.287421
  N      -7.758507      2.086697      2.475654
  C      -8.941033      2.688680      2.769039
  H      -3.569557     -2.173372      5.107197
  H      -4.441613     -1.092227      4.001355
  H      -1.426824     -1.627321      3.764127
  H      -2.638991     -2.589121      2.910173
  H      -1.565519     -0.605397      1.600354
  H      -2.539221      0.462138      2.640904
  H      -5.396028     -1.656056     -0.156554
  H      -6.377538     -0.404886     -2.068127
  H      -4.408569      3.718141     -2.170946
  H      -2.620818      4.861923     -0.803474
  H      -1.550193      3.588155      1.069282
  H      -3.092179      5.577480      4.732719
  H      -4.110520      4.849417      5.976614
  H      -5.700315      5.613257      4.477060
  H      -5.543273      3.931818      3.951035
  H      -3.669165      4.815297      2.342691
  H      -4.438637      6.419817      2.560331
  H      -6.708242      6.797044      3.206146
  H      -8.999167      7.611678      2.847354
  H     -10.600669      5.702123     -1.008035
  H      -9.594671      4.165295     -2.745266
  H      -7.250165      3.329800     -2.398183
  H      -6.677304      1.617476      7.912453
  H      -6.773815      1.546537      6.138993
  H      -6.201442      4.190001      6.393477
  H      -7.000442      3.976343      7.955205
  H      -8.602530      4.726440      6.256287
  H      -9.040481      3.061421      6.749388
  H     -10.565061      4.361300      5.280511
  H     -12.302383      4.386698      3.531018
  H     -10.671627      2.133745     -0.121933
  H      -8.467572      1.006352     -0.643448
  H      -6.657480      1.057111      1.078009
  N      -5.169414      1.562351      3.899070
  H      -6.094279      1.757739      3.462391
100
Coordinates from ORCA-job orca E -6429.526368897398
  N      -3.074417     -0.128134      5.258176
  Mo     -3.942555      1.664529      5.162319
  N      -4.895235      2.075514      6.861949
  C      -4.180353      2.608112      8.015373
  C      -2.833186      1.903382      8.126593
  N      -2.160019      1.935789      6.813959
  C      -1.248915      0.796808      6.594079
  C      -2.046562     -0.445191      6.242715
  C      -1.495784      3.229115      6.537040
  C      -1.668684      3.524430      5.045075
  N      -3.071585      3.476668      4.677117
  H      -1.345719     -1.211449      5.863652
  H      -2.511596     -0.881964      7.151167
  H      -0.607565      1.058584      5.740618
  H      -0.597369      0.623948      7.472212
  H      -1.224648      4.509002      4.801392
  H      -1.111426      2.770238      4.461255
  H      -2.001829      4.010037      7.122291
  H      -0.436925      3.203066      6.857524
  H      -4.757050      2.430406      8.942697
  H      -4.033950      3.706281      7.945751
  H      -3.009989      0.850665      8.389773
  H      -2.199180      2.353634      8.913361
  C      -3.474427     -1.290499      4.464808
  C      -2.458877     -1.610117      3.353707
  C      -2.466994     -0.572699      2.249004
  O      -3.631425     -0.863534      1.428448
  C      -4.063552     -0.084103      0.422412
  C      -5.061749     -0.647989     -0.370770
  C      -5.608824      0.071989     -1.441164
  N      -5.259476      1.306954     -1.781566
  C      -4.288778      1.886184     -1.019680
  C      -3.895811      3.213250     -1.326302
  C      -2.922710      3.828051     -0.575037
  C      -2.331972      3.108134      0.487767
  N      -2.661442      1.871075      0.815164
  C      -3.633326      1.247914      0.092663
  C      -3.782594      4.728419      4.910898
  C      -5.013433      4.889377      4.011149
  C      -4.605826      5.331816      2.611351
  O      -5.511715      4.941945      1.550832
  C      -6.720246      5.510537      1.457419
  C      -7.276536      6.417812      2.350285
  C      -8.593532      6.876852      2.139008
  N      -9.376386      6.533022      1.128501
  C      -8.826991      5.685214      0.206968
  C      -9.587759      5.315333     -0.929036
  C      -9.025820      4.494861     -1.882805
  C      -7.703351      4.033474     -1.693646
  N      -6.963769      4.334962     -0.638023
  C      -7.505246      5.145857      0.306764
  C      -6.347097      2.122413      6.980197
  C      -6.908970      3.562978      6.938619
  C      -8.261628      3.674564      6.261973
  O      -8.087989      3.215850      4.905036
  C      -9.130116      3.279399      4.059834
  C     -10.362457      3.854774      4.334116
  C     -11.357865      3.852950      3.332836
  N     -11.231898      3.320603      2.128281
  C     -10.028113      2.737250      1.847076
  C      -9.837147      2.123236      0.584682
  C      -8.627317      1.534750      0.293496
  C      -7.601012      1.568222      1.261532
  N      -7.739572      2.117991      2.458305
  C      -8.932076      2.694361      2.763890
  H      -3.588407     -2.172366      5.124221
  H      -4.453397     -1.092382      4.011375
  H      -1.442672     -1.652775      3.777576
  H      -2.663819     -2.605147      2.926000
  H      -1.571614     -0.633123      1.612174
  H      -2.536095      0.444646      2.650729
  H      -5.410148     -1.655738     -0.142352
  H      -6.386049     -0.398867     -2.052840
  H      -4.399418      3.716393     -2.151529
  H      -2.611699      4.853568     -0.779065
  H      -1.549663      3.575253      1.095604
  H      -3.090912      5.575117      4.719982
  H      -4.105099      4.849002      5.968270
  H      -5.703121      5.607965      4.475615
  H      -5.542756      3.928622      3.945675
  H      -3.672840      4.822929      2.335386
  H      -4.450142      6.423471      2.558088
  H      -6.728673      6.768274      3.221465
  H      -9.025085      7.570626      2.868983
  H     -10.604544      5.702246     -1.015657
  H      -9.583422      4.196693     -2.772077
  H      -7.234201      3.372336     -2.430429
  H      -6.668837      1.629619      7.919789
  H      -6.769759      1.549687      6.146920
  H      -6.200201      4.195272      6.384993
  H      -6.994197      3.988584      7.950793
  H      -8.607619      4.721620      6.256969
  H      -9.032438      3.053569      6.751610
  H     -10.578029      4.311386      5.298518
  H     -12.321458      4.323645      3.554920
  H     -10.661652      2.147067     -0.129666
  H      -8.437908      1.070043     -0.674361
  H      -6.624218      1.129996      1.042120
  N      -5.177918      1.563422      3.902818
  H      -6.100456      1.768575      3.465797
100
Coordinates from ORCA-job orca E -6429.526393727436
  N      -3.072111     -0.130917      5.256624
  Mo     -3.941950      1.660395      5.156067
  N      -4.893919      2.074401      6.855871
  C      -4.178224      2.611675      8.006608
  C      -2.829814      1.909941      8.118721
  N      -2.158173      1.938802      6.805387
  C      -1.246554      0.799584      6.588238
  C      -2.043817     -0.444217      6.241944
  C      -1.494915      3.231572      6.523800
  C      -1.670023      3.522553      5.031035
  N      -3.073278      3.472617      4.665682
  H      -1.342839     -1.211705      5.865543
  H      -2.508436     -0.877760      7.152156
  H      -0.606541      1.058880      5.733040
  H      -0.593895      0.630086      7.466207
  H      -1.227157      4.506837      4.784077
  H      -1.113135      2.767283      4.448203
  H      -2.000782      4.013914      7.107343
  H      -0.435665      3.207063      6.843029
  H      -4.753411      2.435807      8.935247
  H      -4.033869      3.709891      7.933560
  H      -3.004152      0.857895      8.386110
  H      -2.195790      2.364244      8.903125
  C      -3.474040     -1.296371      4.468643
  C      -2.459393     -1.622413      3.358542
  C      -2.463786     -0.587953      2.251229
  O      -3.628934     -0.874674      1.430316
  C      -4.057564     -0.090218      0.426815
  C      -5.054487     -0.648200     -0.372037
  C      -5.597503      0.078591     -1.439997
  N      -5.245451      1.314914     -1.772612
  C      -4.275870      1.888298     -1.004945
  C      -3.880267      3.216539     -1.302693
  C      -2.908482      3.825500     -0.544958
  C      -2.321762      3.098591      0.515370
  N      -2.653703      1.860168      0.834452
  C      -3.624388      1.242794      0.105565
  C      -3.785351      4.723186      4.901358
  C      -5.017174      4.884144      4.002836
  C      -4.612067      5.335605      2.605482
  O      -5.517544      4.950096      1.542951
  C      -6.727388      5.515966      1.451941
  C      -7.286025      6.418735      2.347917
  C      -8.604938      6.873491      2.139713
  N      -9.387919      6.529394      1.129480
  C      -8.836458      5.686366      0.204922
  C      -9.598091      5.315606     -0.930074
  C      -9.034632      4.499892     -1.886847
  C      -7.709317      4.045001     -1.702185
  N      -6.968641      4.346953     -0.647427
  C      -7.512204      5.152281      0.300849
  C      -6.345511      2.120580      6.978957
  C      -6.908817      3.560898      6.938109
  C      -8.263376      3.672020      6.265426
  O      -8.093008      3.214099      4.908187
  C      -9.135266      3.281194      4.063611
  C     -10.366620      3.858847      4.337019
  C     -11.360535      3.860183      3.334207
  N     -11.233776      3.328980      2.129203
  C     -10.030742      2.743603      1.849365
  C      -9.837810      2.131169      0.586541
  C      -8.628241      1.541076      0.297437
  C      -7.604038      1.571166      1.267907
  N      -7.744341      2.119662      2.464952
  C      -8.936683      2.697532      2.768031
  H      -3.589293     -2.175295      5.131684
  H      -4.452888     -1.098522      4.014711
  H      -1.443292     -1.667124      3.782447
  H      -2.667793     -2.618049      2.934000
  H      -1.568596     -0.653743      1.614475
  H      -2.528544      0.430526      2.650620
  H      -5.405121     -1.656589     -0.150025
  H      -6.373806     -0.387616     -2.056294
  H      -4.380933      3.725346     -2.126225
  H      -2.595486      4.851759     -0.742072
  H      -1.540818      3.561112      1.128462
  H      -3.094487      5.570724      4.711265
  H      -4.107360      4.842163      5.959054
  H      -5.709316      5.597408      4.471589
  H      -5.542973      3.921485      3.932760
  H      -3.678492      4.829961      2.326038
  H      -4.458468      6.427783      2.558566
  H      -6.738542      6.768615      3.219393
  H      -9.038022      7.563587      2.872212
  H     -10.616925      5.697681     -1.013224
  H      -9.593289      4.200543     -2.774919
  H      -7.239226      3.388593     -2.442247
  H      -6.663128      1.629122      7.920571
  H      -6.771085      1.545947      6.148345
  H      -6.201862      4.193022      6.382215
  H      -6.991427      3.987055      7.950214
  H      -8.610268      4.718671      6.261815
  H      -9.032259      3.050141      6.756994
  H     -10.582331      4.315241      5.301245
  H     -12.323350      4.332847      3.555222
  H     -10.660190      2.157424     -0.130060
  H      -8.437282      1.077564     -0.670617
  H      -6.627518      1.131083      1.050458
  N      -5.177109      1.557366      3.896657
  H      -6.096760      1.768171      3.456983
100
Coordinates from ORCA-job orca E -6429.526431682861
  N      -3.063340     -0.137315      5.258671
  Mo     -3.939729      1.649518      5.145659
  N      -4.886579      2.070661      6.847156
  C      -4.167239      2.621867      7.989191
  C      -2.813808      1.930101      8.101013
  N      -2.148844      1.949329      6.784153
  C      -1.235291      0.810310      6.573107
  C      -2.031303     -0.438841      6.243545
  C      -1.489764      3.240872      6.487935
  C      -1.675320      3.519503      4.993745
  N      -3.080732      3.462673      4.639338
  H      -1.330423     -1.209382      5.873164
  H      -2.492291     -0.863019      7.160002
  H      -0.601079      1.062788      5.711599
  H      -0.577488      0.651003      7.449111
  H      -1.237101      4.503205      4.736355
  H      -1.120508      2.761454      4.412477
  H      -1.993877      4.026946      7.068057
  H      -0.428580      3.221086      6.800807
  H      -4.736376      2.450437      8.922414
  H      -4.030158      3.720376      7.906570
  H      -2.979252      0.879928      8.381070
  H      -2.178724      2.396894      8.877127
  C      -3.471921     -1.312210      4.488171
  C      -2.460923     -1.658802      3.381036
  C      -2.454896     -0.633126      2.266133
  O      -3.623889     -0.909532      1.447119
  C      -4.047576     -0.116820      0.447850
  C      -5.040146     -0.667757     -0.361040
  C      -5.578462      0.068620     -1.424875
  N      -5.226550      1.308570     -1.743653
  C      -4.261623      1.875648     -0.965556
  C      -3.868041      3.208048     -1.246902
  C      -2.902933      3.811704     -0.476381
  C      -2.320557      3.075413      0.579908
  N      -2.650122      1.832509      0.882957
  C      -3.614545      1.220044      0.141858
  C      -3.795810      4.710217      4.881655
  C      -5.031208      4.871587      3.987864
  C      -4.632422      5.346178      2.596822
  O      -5.535994      4.970915      1.528952
  C      -6.748329      5.531516      1.442648
  C      -7.313596      6.420648      2.348028
  C      -8.634860      6.869957      2.143550
  N      -9.414584      6.532668      1.128551
  C      -8.856751      5.704010      0.195053
  C      -9.615515      5.341016     -0.944203
  C      -9.045929      4.541112     -1.910513
  C      -7.716726      4.095630     -1.731744
  N      -6.977973      4.390097     -0.673455
  C      -7.528752      5.177924      0.285385
  C      -6.337313      2.113033      6.980669
  C      -6.906366      3.551341      6.936852
  C      -8.263461      3.656702      6.268708
  O      -8.095454      3.204135      4.909750
  C      -9.138078      3.277288      4.066241
  C     -10.372046      3.846342      4.345439
  C     -11.365600      3.853185      3.342313
  N     -11.235785      3.335238      2.131861
  C     -10.029573      2.759586      1.846093
  C      -9.831616      2.163074      0.576445
  C      -8.617784      1.584698      0.281472
  C      -7.594710      1.609131      1.253331
  N      -7.739490      2.142436      2.456747
  C      -8.935971      2.709413      2.764824
  H      -3.590877     -2.181372      5.163210
  H      -4.450376     -1.115286      4.032829
  H      -1.444982     -1.710155      3.804509
  H      -2.680364     -2.656052      2.965986
  H      -1.561372     -0.714945      1.628522
  H      -2.506094      0.388567      2.658367
  H      -5.390926     -1.678529     -0.150476
  H      -6.351071     -0.392484     -2.049452
  H      -4.365828      3.724722     -2.067217
  H      -2.592207      4.841079     -0.660393
  H      -1.546173      3.534059      1.204209
  H      -3.107586      5.560179      4.692949
  H      -4.114728      4.824420      5.940716
  H      -5.728953      5.571526      4.467969
  H      -5.548133      3.904828      3.906492
  H      -3.696642      4.849861      2.308934
  H      -4.485191      6.439698      2.565971
  H      -6.769421      6.763674      3.224157
  H      -9.072777      7.549019      2.883368
  H     -10.637245      5.716083     -1.022623
  H      -9.602660      4.247701     -2.801625
  H      -7.242196      3.454880     -2.482127
  H      -6.645193      1.626535      7.927946
  H      -6.767741      1.531059      6.157555
  H      -6.203425      4.184065      6.376750
  H      -6.987111      3.980126      7.947925
  H      -8.616595      4.701151      6.268945
  H      -9.026930      3.029275      6.761802
  H     -10.590289      4.291063      5.314340
  H     -12.330873      4.318475      3.567878
  H     -10.653186      2.191460     -0.140830
  H      -8.422927      1.133579     -0.691541
  H      -6.615850      1.175719      1.032692
  N      -5.178699      1.538658      3.891113
  H      -6.092522      1.761719      3.446416
100
Coordinates from ORCA-job orca E -6429.526451536320
  N      -3.058643     -0.138595      5.259998
  Mo     -3.939408      1.645458      5.141825
  N      -4.883479      2.069078      6.844449
  C      -4.162388      2.626844      7.982255
  C      -2.805788      1.940929      8.093048
  N      -2.144319      1.956457      6.774293
  C      -1.229359      0.818170      6.565356
  C      -2.024279     -0.433774      6.244363
  C      -1.488114      3.247814      6.471450
  C      -1.679592      3.520770      4.976939
  N      -3.086142      3.460192      4.627628
  H      -1.323195     -1.205487      5.876978
  H      -2.483256     -0.853374      7.163955
  H      -0.599026      1.067539      5.700081
  H      -0.568146      0.664178      7.439705
  H      -1.243944      4.504384      4.714580
  H      -1.125473      2.761787      4.396281
  H      -1.991344      4.035406      7.050328
  H      -0.425802      3.230699      6.780579
  H      -4.727920      2.456509      8.917909
  H      -4.029678      3.725648      7.895785
  H      -2.965597      0.891510      8.379176
  H      -2.170599      2.414265      8.865084
  C      -3.471061     -1.319025      4.500080
  C      -2.462840     -1.677945      3.394309
  C      -2.450489     -0.657980      2.274523
  O      -3.623487     -0.927626      1.458934
  C      -4.045154     -0.132899      0.460160
  C      -5.036229     -0.682673     -0.351241
  C      -5.574885      0.056038     -1.413287
  N      -5.224739      1.297558     -1.727891
  C      -4.260997      1.863641     -0.947428
  C      -3.870059      3.197833     -1.224200
  C      -2.907483      3.801373     -0.450377
  C      -2.324893      3.063229      0.604418
  N      -2.651408      1.818238      0.902403
  C      -3.613445      1.205557      0.158357
  C      -3.803390      4.706219      4.872328
  C      -5.038276      4.868391      3.977520
  C      -4.637961      5.356485      2.591690
  O      -5.537790      4.987449      1.518777
  C      -6.751458      5.545337      1.435819
  C      -7.318697      6.426441      2.347757
  C      -8.641249      6.873560      2.147074
  N      -9.420879      6.540245      1.130642
  C      -8.861514      5.719017      0.191471
  C      -9.621507      5.358540     -0.947815
  C      -9.051073      4.565433     -1.919274
  C      -7.719121      4.125901     -1.746394
  N      -6.978947      4.417762     -0.688318
  C      -7.531410      5.197346      0.276480
  C      -6.333874      2.106851      6.982445
  C      -6.908768      3.543026      6.939044
  C      -8.266448      3.642587      6.271441
  O      -8.096350      3.193828      4.911430
  C      -9.138805      3.268428      4.067607
  C     -10.375856      3.829066      4.350469
  C     -11.368503      3.839379      3.346478
  N     -11.234867      3.332632      2.131698
  C     -10.025484      2.765693      1.841942
  C      -9.822981      2.182402      0.566860
  C      -8.605899      1.612970      0.267834
  C      -7.584455      1.632719      1.241451
  N      -7.733049      2.153784      2.449817
  C      -8.932652      2.712481      2.761531
  H      -3.591019     -2.182430      5.182398
  H      -4.449829     -1.123707      4.044781
  H      -1.446955     -1.733346      3.817430
  H      -2.689161     -2.676247      2.985525
  H      -1.559358     -0.751374      1.634888
  H      -2.491430      0.365942      2.661724
  H      -5.385849     -1.694528     -0.143934
  H      -6.346474     -0.404314     -2.039696
  H      -4.368718      3.716273     -2.042818
  H      -2.599424      4.832253     -0.630460
  H      -1.553887      3.522122      1.232741
  H      -3.116033      5.557522      4.686398
  H      -4.123571      4.817675      5.931217
  H      -5.741137      5.560631      4.461372
  H      -5.549808      3.899554      3.887427
  H      -3.700084      4.865329      2.301856
  H      -4.493707      6.450662      2.570841
  H      -6.774910      6.764765      3.226144
  H      -9.080537      7.546588      2.891593
  H     -10.645121      5.729440     -1.021694
  H      -9.609171      4.272889     -2.809878
  H      -7.244487      3.492121     -2.502803
  H      -6.636693      1.620694      7.931575
  H      -6.765088      1.521809      6.161747
  H      -6.208757      4.178977      6.378849
  H      -6.990896      3.971084      7.950312
  H      -8.625638      4.684997      6.273934
  H      -9.025998      3.009795      6.763765
  H     -10.597356      4.264310      5.323022
  H     -12.336283      4.298055      3.574954
  H     -10.643526      2.213948     -0.151468
  H      -8.407363      1.172431     -0.709267
  H      -6.603417      1.205945      1.018372
  N      -5.181071      1.530443      3.890758
  H      -6.092155      1.760128      3.443280
100
Coordinates from ORCA-job orca E -6429.526467879313
  N      -3.042983     -0.133136      5.258842
  Mo     -3.935041      1.645923      5.146538
  N      -4.881575      2.057024      6.850566
  C      -4.162415      2.613264      7.990542
  C      -2.800396      1.937048      8.096666
  N      -2.140235      1.962620      6.777202
  C      -1.217787      0.831456      6.563264
  C      -2.004570     -0.424629      6.239678
  C      -1.492994      3.259474      6.478971
  C      -1.685946      3.535142      4.985417
  N      -3.092199      3.465858      4.635519
  H      -1.298935     -1.190162      5.868055
  H      -2.458817     -0.850777      7.158725
  H      -0.590595      1.087574      5.697675
  H      -0.554134      0.679188      7.436008
  H      -1.256921      4.522381      4.725801
  H      -1.126480      2.781585      4.402913
  H      -2.002473      4.041787      7.059567
  H      -0.430792      3.248990      6.788760
  H      -4.725677      2.433619      8.925878
  H      -4.037773      3.713521      7.910523
  H      -2.950927      0.885373      8.379545
  H      -2.168210      2.412923      8.869577
  C      -3.458644     -1.317686      4.507088
  C      -2.456403     -1.682568      3.397787
  C      -2.449937     -0.668747      2.272550
  O      -3.631975     -0.938113      1.469818
  C      -4.054976     -0.151188      0.465166
  C      -5.042497     -0.709952     -0.344315
  C      -5.586709      0.021766     -1.408374
  N      -5.244419      1.264499     -1.727076
  C      -4.283580      1.839087     -0.949013
  C      -3.901618      3.174982     -1.230288
  C      -2.943637      3.787911     -0.458118
  C      -2.356802      3.057693      0.599664
  N      -2.674464      1.811126      0.901187
  C      -3.631541      1.188853      0.158803
  C      -3.817206      4.707726      4.881225
  C      -5.049384      4.866773      3.981982
  C      -4.644617      5.361441      2.599634
  O      -5.539819      4.993311      1.522756
  C      -6.750859      5.556484      1.434328
  C      -7.316462      6.441932      2.343075
  C      -8.634808      6.898159      2.135224
  N      -9.411679      6.568874      1.115288
  C      -8.853866      5.741993      0.180130
  C      -9.610841      5.385352     -0.962478
  C      -9.041072      4.587169     -1.930345
  C      -7.712888      4.139020     -1.750422
  N      -6.975632      4.427393     -0.689381
  C      -7.527744      5.211587      0.272091
  C      -6.332123      2.091833      6.987142
  C      -6.909714      3.527351      6.946974
  C      -8.264095      3.628436      6.272544
  O      -8.088926      3.185768      4.911168
  C      -9.129157      3.265961      4.064651
  C     -10.367052      3.824247      4.349137
  C     -11.358467      3.839806      3.344021
  N     -11.223487      3.339130      2.126871
  C     -10.013392      2.774727      1.834933
  C      -9.810417      2.196454      0.557660
  C      -8.592551      1.629742      0.256198
  C      -7.571439      1.646925      1.229914
  N      -7.720499      2.162336      2.440816
  C      -8.920756      2.718297      2.754914
  H      -3.574484     -2.177516      5.194743
  H      -4.439944     -1.125761      4.055915
  H      -1.438189     -1.735638      3.815599
  H      -2.685259     -2.683142      2.996032
  H      -1.565675     -0.770407      1.624520
  H      -2.482659      0.357641      2.653976
  H      -5.385613     -1.723335     -0.133567
  H      -6.355765     -0.445483     -2.032807
  H      -4.403969      3.687365     -2.050438
  H      -2.643042      4.820406     -0.641499
  H      -1.590559      3.524338      1.228041
  H      -3.133425      5.562911      4.700188
  H      -4.141561      4.814260      5.939272
  H      -5.758208      5.553666      4.464849
  H      -5.555287      3.895816      3.886158
  H      -3.704125      4.873909      2.311928
  H      -4.502843      6.456037      2.583250
  H      -6.774421      6.777755      3.223677
  H      -9.072968      7.575598      2.876397
  H     -10.631435      5.763454     -1.041998
  H      -9.596603      4.297553     -2.823596
  H      -7.239308      3.502323     -2.505408
  H      -6.634339      1.603269      7.935267
  H      -6.761632      1.507492      6.165157
  H      -6.207464      4.167927      6.394683
  H      -6.998913      3.949612      7.960093
  H      -8.623961      4.670649      6.277923
  H      -9.025265      2.993390      6.759484
  H     -10.590735      4.252307      5.324564
  H     -12.326895      4.296431      3.573982
  H     -10.631552      2.228685     -0.159971
  H      -8.393584      1.192660     -0.722388
  H      -6.590285      1.221986      1.005579
  N      -5.177455      1.525253      3.897090
  H      -6.087379      1.752787      3.445635
100
Coordinates from ORCA-job orca E -6429.526480715659
  N      -3.050671     -0.134492      5.258978
  Mo     -3.937438      1.646815      5.143559
  N      -4.881350      2.064825      6.847247
  C      -4.160142      2.622487      7.985038
  C      -2.800343      1.941876      8.092260
  N      -2.140548      1.961947      6.772418
  C      -1.221797      0.827365      6.560268
  C      -2.012536     -0.427168      6.239994
  C      -1.489328      3.256138      6.471118
  C      -1.683826      3.530516      4.977392
  N      -3.090668      3.465065      4.629613
  H      -1.309364     -1.195497      5.869532
  H      -2.467504     -0.850132      7.160100
  H      -0.594821      1.079756      5.693408
  H      -0.557532      0.675244      7.432599
  H      -1.252183      4.516172      4.715988
  H      -1.127513      2.774524      4.394999
  H      -1.994870      4.040994      7.051712
  H      -0.426620      3.242357      6.779010
  H      -4.723397      2.447362      8.921248
  H      -4.031835      3.722056      7.901443
  H      -2.954429      0.891481      8.377885
  H      -2.166277      2.417579      8.863759
  C      -3.468498     -1.318469      4.507456
  C      -2.466174     -1.686103      3.399151
  C      -2.453812     -0.671295      2.274840
  O      -3.635663     -0.934787      1.469863
  C      -4.055376     -0.144284      0.466677
  C      -5.044253     -0.698179     -0.344567
  C      -5.584169      0.036737     -1.408614
  N      -5.236733      1.278523     -1.725491
  C      -4.274777      1.848553     -0.945429
  C      -3.887483      3.183323     -1.224633
  C      -2.927570      3.791499     -0.451121
  C      -2.344019      3.057548      0.605852
  N      -2.666991      1.811898      0.905777
  C      -3.626214      1.194410      0.162163
  C      -3.812347      4.708312      4.877334
  C      -5.044614      4.870191      3.978693
  C      -4.640203      5.368152      2.597393
  O      -5.534476      4.999829      1.519843
  C      -6.748581      5.557205      1.435151
  C      -7.317116      6.437208      2.347385
  C      -8.638714      6.885956      2.143858
  N      -9.416061      6.554627      1.124959
  C      -8.855676      5.733228      0.186536
  C      -9.613526      5.374069     -0.954742
  C      -9.041920      4.579896     -1.924820
  C      -7.710867      4.138616     -1.748707
  N      -6.972503      4.430107     -0.689401
  C      -7.526352      5.210302      0.274247
  C      -6.331735      2.098441      6.985319
  C      -6.911218      3.533043      6.944194
  C      -8.266896      3.630288      6.272085
  O      -8.091322      3.188121      4.910442
  C      -9.132738      3.262854      4.065065
  C     -10.371915      3.818221      4.349479
  C     -11.363668      3.830545      3.344599
  N     -11.227571      3.329779      2.127640
  C     -10.016336      2.767579      1.836076
  C      -9.812057      2.189757      0.558789
  C      -8.593503      1.624329      0.257894
  C      -7.572435      1.643881      1.231718
  N      -7.722281      2.160311      2.441966
  C      -8.923616      2.713941      2.756003
  H      -3.587018     -2.177695      5.195396
  H      -4.448885     -1.124349      4.055246
  H      -1.448802     -1.743468      3.818466
  H      -2.698254     -2.685454      2.996192
  H      -1.569013     -0.776555      1.628097
  H      -2.482300      0.354917      2.656978
  H      -5.391575     -1.710444     -0.135340
  H      -6.354202     -0.426850     -2.034557
  H      -4.387038      3.698568     -2.044658
  H      -2.622727      4.822989     -0.633174
  H      -1.575543      3.519939      1.234644
  H      -3.126716      5.562149      4.696726
  H      -4.135772      4.814679      5.935632
  H      -5.753476      5.555979      4.462990
  H      -5.550695      3.899416      3.880664
  H      -3.698398      4.883462      2.308921
  H      -4.500734      6.463080      2.583010
  H      -6.775010      6.773748      3.227622
  H      -9.079246      7.558810      2.887806
  H     -10.636463      5.746431     -1.031085
  H      -9.598237      4.287753     -2.816739
  H      -7.236278      3.503459     -2.504306
  H      -6.633083      1.610182      7.933938
  H      -6.761195      1.513220      6.163873
  H      -6.211453      4.173769      6.389023
  H      -6.998895      3.957029      7.956726
  H      -8.629796      4.671450      6.277738
  H      -9.025563      2.992761      6.759650
  H     -10.595888      4.247684      5.324188
  H     -12.333031      4.285312      3.574331
  H     -10.632909      2.221486     -0.159219
  H      -8.393530      1.187347     -0.720520
  H      -6.590304      1.220892      1.007425
  N      -5.181201      1.527877      3.895409
  H      -6.088629      1.761132      3.441913
100
Coordinates from ORCA-job orca E -6429.526493052756
  N      -3.054278     -0.136521      5.259124
  Mo     -3.938910      1.645565      5.142065
  N      -4.879767      2.068722      6.845964
  C      -4.156104      2.627601      7.981361
  C      -2.797439      1.944573      8.087834
  N      -2.139235      1.961351      6.767038
  C      -1.222113      0.825358      6.555519
  C      -2.014359     -0.429079      6.238376
  C      -1.486885      3.254312      6.462722
  C      -1.683998      3.527333      4.968981
  N      -3.091494      3.462889      4.624053
  H      -1.312268     -1.198016      5.867112
  H      -2.467633     -0.851172      7.159707
  H      -0.596351      1.075647      5.687149
  H      -0.556373      0.674249      7.426902
  H      -1.251982      4.512370      4.705861
  H      -1.129470      2.770285      4.386232
  H      -1.990130      4.040475      7.043520
  H      -0.423565      3.239505      6.768434
  H      -4.718206      2.455506      8.918823
  H      -4.025665      3.726718      7.895015
  H      -2.953035      0.894946      8.375424
  H      -2.161555      2.420527      8.857710
  C      -3.475518     -1.320845      4.510030
  C      -2.475623     -1.691601      3.400662
  C      -2.459517     -0.675775      2.277401
  O      -3.644357     -0.931025      1.474076
  C      -4.058119     -0.137917      0.470542
  C      -5.045782     -0.687243     -0.345255
  C      -5.578918      0.051014     -1.410437
  N      -5.225880      1.292053     -1.724173
  C      -4.265415      1.857788     -0.939136
  C      -3.872832      3.191796     -1.214424
  C      -2.914812      3.795936     -0.435406
  C      -2.338319      3.058581      0.623049
  N      -2.666344      1.813394      0.919495
  C      -3.623672      1.199912      0.170178
  C      -3.811918      4.706485      4.873458
  C      -5.044626      4.869451      3.975616
  C      -4.641518      5.370443      2.594913
  O      -5.534992      5.001657      1.516798
  C      -6.751166      5.555262      1.433965
  C      -7.322179      6.431530      2.348293
  C      -8.645658      6.875594      2.146679
  N      -9.422384      6.543740      1.127509
  C      -8.859595      5.726476      0.186958
  C      -9.616746      5.367173     -0.954746
  C      -9.043174      4.576217     -1.926240
  C      -7.710893      4.138090     -1.751118
  N      -6.972975      4.430322     -0.691761
  C      -7.528564      5.207712      0.273124
  C      -6.329983      2.103268      6.985572
  C      -6.909006      3.538003      6.942220
  C      -8.265288      3.634120      6.271118
  O      -8.090156      3.191447      4.909519
  C      -9.132589      3.263080      4.065192
  C     -10.372501      3.816622      4.349980
  C     -11.364960      3.826574      3.345768
  N     -11.228765      3.325270      2.129060
  C     -10.016963      2.764302      1.837445
  C      -9.812637      2.185836      0.560447
  C      -8.593918      1.620760      0.259587
  C      -7.572199      1.642726      1.232696
  N      -7.721782      2.160921      2.442191
  C      -8.923676      2.712998      2.756728
  H      -3.594731     -2.178903      5.199303
  H      -4.456106     -1.125383      4.058882
  H      -1.458174     -1.753347      3.819194
  H      -2.711986     -2.689662      2.997010
  H      -1.576634     -0.786286      1.628854
  H      -2.480775      0.350263      2.660410
  H      -5.397288     -1.698647     -0.138857
  H      -6.347917     -0.409043     -2.040225
  H      -4.366751      3.709710     -2.036183
  H      -2.606161      4.826824     -0.614441
  H      -1.571036      3.517423      1.255887
  H      -3.125788      5.560001      4.693227
  H      -4.134458      4.812088      5.932056
  H      -5.753985      5.553683      4.461268
  H      -5.549995      3.898383      3.876023
  H      -3.698392      4.888827      2.305563
  H      -4.504716      6.465735      2.582143
  H      -6.780783      6.768106      3.228851
  H      -9.088365      7.545047      2.892409
  H     -10.640810      5.736603     -1.030101
  H      -9.598908      4.283762     -2.818392
  H      -7.235154      3.503854     -2.506681
  H      -6.630976      1.616744      7.935205
  H      -6.760394      1.517069      6.165305
  H      -6.209853      4.177586      6.385038
  H      -6.995685      3.964012      7.953997
  H      -8.628625      4.675129      6.276357
  H      -9.023311      2.996346      6.759304
  H     -10.596325      4.247031      5.324223
  H     -12.334831      4.280149      3.575715
  H     -10.633695      2.217107     -0.157360
  H      -8.393950      1.183049     -0.718480
  H      -6.589569      1.220686      1.008209
  N      -5.185376      1.525333      3.896959
  H      -6.090590      1.761557      3.440323
100
Coordinates from ORCA-job orca E -6429.526506495335
  N      -3.056401     -0.133935      5.257616
  Mo     -3.938797      1.649225      5.143252
  N      -4.879068      2.073206      6.846978
  C      -4.154310      2.628887      7.982920
  C      -2.797127      1.942516      8.087678
  N      -2.138675      1.960918      6.766870
  C      -1.222214      0.824850      6.553368
  C      -2.014610     -0.429084      6.234213
  C      -1.485409      3.254025      6.464826
  C      -1.682794      3.530289      4.971624
  N      -3.090309      3.467249      4.626938
  H      -1.312540     -1.196282      5.859219
  H      -2.465908     -0.854668      7.154906
  H      -0.596762      1.076272      5.685073
  H      -0.555860      0.672433      7.424046
  H      -1.250411      4.515746      4.710634
  H      -1.128636      2.774297      4.387117
  H      -1.987613      4.039390      7.047560
  H      -0.421944      3.237709      6.769954
  H      -4.716353      2.456491      8.920353
  H      -4.021229      3.727815      7.898039
  H      -2.955054      0.892527      8.372642
  H      -2.160290      2.415394      8.858706
  C      -3.482991     -1.317508      4.510166
  C      -2.487994     -1.691410      3.397444
  C      -2.471080     -0.675983      2.273920
  O      -3.662218     -0.922743      1.477018
  C      -4.067897     -0.132666      0.467794
  C      -5.052700     -0.681863     -0.351508
  C      -5.578926      0.054969     -1.421173
  N      -5.221457      1.294414     -1.736199
  C      -4.263834      1.860006     -0.947586
  C      -3.867249      3.192604     -1.223870
  C      -2.912833      3.797017     -0.440624
  C      -2.344115      3.061378      0.623176
  N      -2.676066      1.817491      0.920846
  C      -3.629390      1.203625      0.166783
  C      -3.810160      4.710725      4.878554
  C      -5.041097      4.875808      3.978957
  C      -4.636631      5.379587      2.599563
  O      -5.526943      5.008313      1.519711
  C      -6.745564      5.556997      1.436527
  C      -7.319914      6.431790      2.350204
  C      -8.645240      6.870177      2.148354
  N      -9.420664      6.534418      1.129509
  C      -8.854845      5.718334      0.189768
  C      -9.610652      5.354984     -0.951544
  C      -9.034586      4.563968     -1.921394
  C      -7.701256      4.129319     -1.744963
  N      -6.964248      4.426124     -0.686261
  C      -7.522006      5.204415      0.276704
  C      -6.329432      2.107315      6.985933
  C      -6.909479      3.541670      6.942484
  C      -8.265687      3.636651      6.270867
  O      -8.089412      3.195106      4.908913
  C      -9.132585      3.262481      4.065147
  C     -10.373952      3.812884      4.349719
  C     -11.366774      3.819253      3.345840
  N     -11.229610      3.317149      2.129565
  C     -10.016604      2.758489      1.838521
  C      -9.811575      2.178474      0.562309
  C      -8.592187      1.614512      0.262071
  C      -7.569971      1.640630      1.234567
  N      -7.719942      2.161443      2.442865
  C      -8.922924      2.711022      2.757487
  H      -3.601696     -2.174911      5.200327
  H      -4.464680     -1.120125      4.062353
  H      -1.469443     -1.756694      3.812802
  H      -2.729157     -2.688603      2.994493
  H      -1.592813     -0.794234      1.620356
  H      -2.482424      0.350414      2.656178
  H      -5.407578     -1.691898     -0.144143
  H      -6.345722     -0.404880     -2.053777
  H      -4.355060      3.709212     -2.050166
  H      -2.601432      4.826951     -0.620406
  H      -1.579739      3.520296      1.259456
  H      -3.123201      5.564283      4.701704
  H      -4.134403      4.813698      5.936841
  H      -5.751808      5.558741      4.464409
  H      -5.545817      3.904668      3.876496
  H      -3.691114      4.901927      2.311594
  H      -4.503522      6.475361      2.587868
  H      -6.779827      6.771168      3.230446
  H      -9.090853      7.538194      2.893651
  H     -10.635745      5.721321     -1.027842
  H      -9.589054      4.268554     -2.813329
  H      -7.223739      3.493659     -2.498140
  H      -6.631152      1.620150      7.934980
  H      -6.758921      1.521724      6.164783
  H      -6.210914      4.182039      6.385630
  H      -6.997082      3.967591      7.954232
  H      -8.629839      4.677374      6.276616
  H      -9.023355      2.997674      6.757948
  H     -10.598554      4.244033      5.323395
  H     -12.337671      4.270722      3.575579
  H     -10.632873      2.208063     -0.155313
  H      -8.391941      1.175022     -0.715135
  H      -6.586490      1.220100      1.010443
  N      -5.187336      1.529611      3.900582
  H      -6.088872      1.768287      3.437888
100
Coordinates from ORCA-job orca E -6429.526519641511
  N      -3.053895     -0.133053      5.257461
  Mo     -3.937838      1.649214      5.144505
  N      -4.875879      2.073815      6.849188
  C      -4.149005      2.628801      7.983875
  C      -2.791414      1.942589      8.085130
  N      -2.135219      1.962657      6.763072
  C      -1.217343      0.828161      6.547611
  C      -2.007909     -0.427294      6.229744
  C      -1.484163      3.256816      6.460528
  C      -1.684940      3.533799      4.967855
  N      -3.093019      3.468805      4.626114
  H      -1.305056     -1.191926      5.850863
  H      -2.454692     -0.855835      7.151278
  H      -0.594114      1.080698      5.678027
  H      -0.548792      0.676928      7.416782
  H      -1.254675      4.520178      4.706863
  H      -1.130648      2.779204      4.381653
  H      -1.986059      4.041201      7.044819
  H      -0.420039      3.241563      6.763356
  H      -4.708863      2.455724      8.922470
  H      -4.016081      3.727826      7.899430
  H      -2.948561      0.892165      8.368931
  H      -2.153250      2.414709      8.855537
  C      -3.486684     -1.318207      4.515940
  C      -2.498362     -1.698395      3.399520
  C      -2.481041     -0.684748      2.274635
  O      -3.680977     -0.920778      1.487470
  C      -4.077499     -0.133799      0.472062
  C      -5.057290     -0.683125     -0.353013
  C      -5.575808      0.053072     -1.426973
  N      -5.214551      1.291597     -1.741339
  C      -4.261735      1.857304     -0.946994
  C      -3.862314      3.189407     -1.221750
  C      -2.914875      3.794768     -0.430729
  C      -2.356231      3.060751      0.639469
  N      -2.690488      1.817081      0.935484
  C      -3.636364      1.202022      0.173076
  C      -3.814409      4.710983      4.880057
  C      -5.044546      4.876456      3.979583
  C      -4.640323      5.386279      2.602204
  O      -5.527419      5.014674      1.519770
  C      -6.748149      5.558814      1.436088
  C      -7.326939      6.429618      2.350761
  C      -8.653402      6.863927      2.147685
  N      -9.425824      6.528130      1.126586
  C      -8.855655      5.716147      0.185927
  C      -9.608020      5.353693     -0.957916
  C      -9.027778      4.566757     -1.928529
  C      -7.693795      4.134850     -1.750232
  N      -6.959683      4.431257     -0.689370
  C      -7.521419      5.206055      0.274221
  C      -6.326160      2.107632      6.989523
  C      -6.906975      3.541633      6.944061
  C      -8.262724      3.635635      6.271138
  O      -8.085194      3.195629      4.908755
  C      -9.128499      3.262346      4.064960
  C     -10.370965      3.809750      4.350729
  C     -11.364192      3.815676      3.347321
  N     -11.226539      3.315583      2.130238
  C     -10.012492      2.759874      1.837933
  C      -9.807205      2.181624      0.560915
  C      -8.587033      1.620196      0.259177
  C      -7.564112      1.647596      1.230820
  N      -7.714222      2.167073      2.439743
  C      -8.918171      2.713520      2.756272
  H      -3.603715     -2.172994      5.209638
  H      -4.470118     -1.120178      4.072378
  H      -1.478212     -1.767830      3.810278
  H      -2.746200     -2.694999      2.999173
  H      -1.609373     -0.813235      1.614033
  H      -2.479432      0.342292      2.655190
  H      -5.414633     -1.692478     -0.146575
  H      -6.338849     -0.406660     -2.064173
  H      -4.342537      3.705005     -2.053148
  H      -2.601974      4.824495     -0.609026
  H      -1.598325      3.520713      1.282704
  H      -3.128228      5.565766      4.706255
  H      -4.139824      4.810735      5.938229
  H      -5.757602      5.555951      4.466409
  H      -5.546743      3.904452      3.873362
  H      -3.692316      4.913758      2.314024
  H      -4.511914      6.482649      2.594006
  H      -6.789490      6.768855      3.232657
  H      -9.102673      7.528592      2.893775
  H     -10.633904      5.717532     -1.035533
  H      -9.579378      4.272474     -2.822589
  H      -7.212966      3.501943     -2.503618
  H      -6.626978      1.621756      7.939465
  H      -6.755939      1.520841      6.169522
  H      -6.208375      4.181931      6.387246
  H      -6.995852      3.968550      7.955293
  H      -8.627635      4.676108      6.277437
  H      -9.020329      2.995629      6.756955
  H     -10.596197      4.238841      5.325170
  H     -12.335947      4.264691      3.578214
  H     -10.629148      2.210597     -0.156003
  H      -8.386776      1.181764     -0.718505
  H      -6.579967      1.229335      1.005607
  N      -5.190976      1.527157      3.907293
  H      -6.088791      1.766996      3.437977
100
Coordinates from ORCA-job orca E -6429.526527580697
  N      -3.050444     -0.130925      5.256831
  Mo     -3.936031      1.650612      5.146025
  N      -4.874915      2.072655      6.851089
  C      -4.148261      2.625826      7.986738
  C      -2.790216      1.940288      8.086379
  N      -2.134138      1.963841      6.764323
  C      -1.214410      0.831143      6.547103
  C      -2.002927     -0.425148      6.227358
  C      -1.484850      3.259443      6.464067
  C      -1.685752      3.538426      4.971809
  N      -3.093710      3.472034      4.629728
  H      -1.298910     -1.187603      5.846194
  H      -2.447964     -0.856544      7.148417
  H      -0.591426      1.085943      5.678017
  H      -0.545811      0.679592      7.416165
  H      -1.256734      4.525779      4.712439
  H      -1.130231      2.785527      4.384593
  H      -1.987886      4.042274      7.049453
  H      -0.420741      3.245113      6.766963
  H      -4.707749      2.450693      8.925151
  H      -4.016050      3.725136      7.904468
  H      -2.946968      0.889019      8.367309
  H      -2.152162      2.410650      8.857940
  C      -3.485515     -1.316734      4.517575
  C      -2.500663     -1.699159      3.398886
  C      -2.486001     -0.687449      2.272322
  O      -3.691219     -0.920413      1.492189
  C      -4.084264     -0.137675      0.471946
  C      -5.060823     -0.689978     -0.354854
  C      -5.577299      0.043683     -1.431626
  N      -5.216296      1.281867     -1.747561
  C      -4.266192      1.850279     -0.951896
  C      -3.867131      3.182186     -1.228370
  C      -2.923700      3.790559     -0.434829
  C      -2.369038      3.059984      0.639767
  N      -2.702586      1.816436      0.937086
  C      -3.644025      1.198175      0.171742
  C      -3.816741      4.713205      4.883877
  C      -5.045808      4.878649      3.981966
  C      -4.640420      5.390156      2.605579
  O      -5.525586      5.018596      1.521563
  C      -6.746681      5.561348      1.436558
  C      -7.327132      6.431652      2.350611
  C      -8.653449      6.865553      2.145867
  N      -9.424408      6.529504      1.123741
  C      -8.852685      5.717708      0.183817
  C      -9.603559      5.354949     -0.960881
  C      -9.021832      4.568512     -1.931000
  C      -7.687801      4.137471     -1.751392
  N      -6.955001      4.433908     -0.689524
  C      -7.518287      5.208194      0.273621
  C      -6.325246      2.106213      6.991167
  C      -6.906469      3.540043      6.945798
  C      -8.261713      3.634014      6.271813
  O      -8.083131      3.195070      4.909221
  C      -9.126178      3.262052      4.065020
  C     -10.369600      3.806979      4.351545
  C     -11.362981      3.812316      3.348365
  N     -11.224694      3.313673      2.130710
  C     -10.009608      2.760790      1.837469
  C      -9.803631      2.184108      0.559830
  C      -8.582328      1.625778      0.256952
  C      -7.559120      1.654257      1.228210
  N      -7.709928      2.171772      2.437958
  C      -8.914888      2.715554      2.755496
  H      -3.600654     -2.170708      5.212630
  H      -4.470220     -1.118978      4.076786
  H      -1.479235     -1.768687      3.806439
  H      -2.750632     -2.696227      3.001008
  H      -1.618414     -0.820132      1.607131
  H      -2.479154      0.340158      2.651227
  H      -5.417677     -1.699271     -0.147286
  H      -6.338239     -0.418010     -2.069928
  H      -4.344465      3.695269     -2.063013
  H      -2.611226      4.820210     -0.614276
  H      -1.615171      3.522844      1.285673
  H      -3.131173      5.568905      4.712247
  H      -4.144033      4.811279      5.941629
  H      -5.759814      5.557345      4.468612
  H      -5.547317      3.906441      3.874332
  H      -3.691654      4.918768      2.318135
  H      -4.513293      6.486680      2.598477
  H      -6.790886      6.771169      3.233184
  H      -9.103851      7.530079      2.891401
  H     -10.629593      5.718166     -1.039529
  H      -9.572368      4.274075     -2.825686
  H      -7.205494      3.505676     -2.504804
  H      -6.625914      1.620096      7.941001
  H      -6.754736      1.519397      6.171042
  H      -6.207539      4.180653      6.389744
  H      -6.996214      3.966735      7.957053
  H      -8.627113      4.674321      6.278667
  H      -9.019440      2.993377      6.756620
  H     -10.595639      4.234075      5.326705
  H     -12.335551      4.259168      3.580030
  H     -10.626015      2.211667     -0.156630
  H      -8.381693      1.188696     -0.721267
  H      -6.574207      1.238508      1.002128
  N      -5.190904      1.529192      3.910885
  H      -6.087362      1.767635      3.438231
100
Coordinates from ORCA-job orca E -6429.526534905453
  N      -3.047343     -0.129309      5.256528
  Mo     -3.933976      1.651757      5.146560
  N      -4.873636      2.071846      6.852162
  C      -4.147131      2.624400      7.988198
  C      -2.788692      1.939550      8.086828
  N      -2.132962      1.965416      6.764666
  C      -1.211628      0.834031      6.546375
  C      -1.998561     -0.423041      6.225700
  C      -1.484963      3.262048      6.465860
  C      -1.686186      3.542252      4.973899
  N      -3.094135      3.474851      4.631908
  H      -1.293801     -1.184136      5.843122
  H      -2.442227     -0.856052      7.146671
  H      -0.588735      1.090479      5.677750
  H      -0.543242      0.682422      7.415573
  H      -1.258022      4.530210      4.715432
  H      -1.129958      2.790400      4.386006
  H      -1.988797      4.043828      7.051957
  H      -0.420860      3.248346      6.768718
  H      -4.706290      2.448099      8.926573
  H      -4.015795      3.723937      7.907136
  H      -2.945408      0.887694      8.365629
  H      -2.150452      2.408430      8.859094
  C      -3.484444     -1.316069      4.519858
  C      -2.502628     -1.701420      3.399594
  C      -2.490110     -0.691891      2.271119
  O      -3.700470     -0.921495      1.497820
  C      -4.090398     -0.142521      0.473144
  C      -5.063666     -0.697743     -0.355414
  C      -5.578052      0.033422     -1.435001
  N      -5.217353      1.271259     -1.752438
  C      -4.270174      1.842511     -0.955325
  C      -3.871752      3.174333     -1.233327
  C      -2.932495      3.785783     -0.437166
  C      -2.381751      3.058657      0.641728
  N      -2.714367      1.815122      0.940164
  C      -3.651240      1.193537      0.171862
  C      -3.818218      4.715222      4.886392
  C      -5.046762      4.881150      3.983791
  C      -4.640596      5.394441      2.608402
  O      -5.524389      5.023770      1.522916
  C      -6.745944      5.564755      1.437162
  C      -7.328402      6.433721      2.351176
  C      -8.654693      6.867005      2.145086
  N      -9.424120      6.531146      1.121724
  C      -8.850613      5.720255      0.182067
  C      -9.599915      5.357609     -0.963679
  C      -9.016372      4.572689     -1.933990
  C      -7.682064      4.143225     -1.753511
  N      -6.950584      4.439376     -0.690555
  C      -7.515801      5.211882      0.272853
  C      -6.323875      2.104477      6.992889
  C      -6.906317      3.537728      6.947141
  C      -8.261388      3.630512      6.272718
  O      -8.081681      3.193394      4.909689
  C      -9.124445      3.260515      4.065085
  C     -10.368897      3.802617      4.352608
  C     -11.362435      3.807499      3.349685
  N     -11.223353      3.310939      2.131219
  C     -10.007022      2.761615      1.836636
  C      -9.800027      2.187557      0.557958
  C      -8.577169      1.633501      0.253488
  C      -7.553708      1.662854      1.224396
  N      -7.705591      2.177022      2.435509
  C      -8.911916      2.717262      2.754349
  H      -3.598310     -2.168898      5.216541
  H      -4.470137     -1.118436      4.081220
  H      -1.480100     -1.771177      3.804299
  H      -2.754915     -2.699062      3.004579
  H      -1.626440     -0.828719      1.601654
  H      -2.477946      0.336230      2.648429
  H      -5.419766     -1.707135     -0.147070
  H      -6.336696     -0.430317     -2.074540
  H      -4.346260      3.684976     -2.071084
  H      -2.620499      4.815389     -0.617638
  H      -1.632175      3.524616      1.290398
  H      -3.133063      5.571558      4.716352
  H      -4.146739      4.812015      5.943891
  H      -5.760919      5.559349      4.470991
  H      -5.548174      3.909040      3.875050
  H      -3.691546      4.923571      2.321094
  H      -4.514119      6.491029      2.602713
  H      -6.793431      6.773068      3.234636
  H      -9.106270      7.530864      2.890488
  H     -10.626303      5.719694     -1.042957
  H      -9.565886      4.278373     -2.829361
  H      -7.197990      3.513709     -2.507701
  H      -6.623404      1.618564      7.943166
  H      -6.753298      1.516666      6.173459
  H      -6.207708      4.178520      6.390863
  H      -6.996327      3.964839      7.958186
  H      -8.628633      4.670155      6.280572
  H      -9.018297      2.988226      6.756685
  H     -10.595693      4.227407      5.328632
  H     -12.335951      4.251757      3.582335
  H     -10.622897      2.213223     -0.157982
  H      -8.375889      1.198768     -0.725646
  H      -6.567739      1.250581      0.996992
  N      -5.191220      1.532835      3.914071
  H      -6.086093      1.770174      3.438012
100
Coordinates from ORCA-job orca E -6429.526539298881
  N      -3.046603     -0.128669      5.256036
  Mo     -3.933080      1.652630      5.146449
  N      -4.873295      2.071541      6.852486
  C      -4.146951      2.624079      7.988628
  C      -2.788658      1.939013      8.087223
  N      -2.132998      1.965749      6.765060
  C      -1.211108      0.834722      6.546343
  C      -1.997561     -0.422446      6.224897
  C      -1.485190      3.262769      6.467215
  C      -1.686320      3.543914      4.975455
  N      -3.094272      3.476604      4.633282
  H      -1.292640     -1.183204      5.841944
  H      -2.441036     -0.855950      7.145740
  H      -0.587877      1.092004      5.678231
  H      -0.543241      0.682754      7.415869
  H      -1.258132      4.532016      4.717585
  H      -1.129984      2.792403      4.387217
  H      -1.989283      4.044059      7.053730
  H      -0.421141      3.248995      6.770212
  H      -4.706266      2.447760      8.926905
  H      -4.015685      3.723654      7.907768
  H      -2.946058      0.886959      8.364928
  H      -2.150139      2.406784      8.859897
  C      -3.484255     -1.315642      4.520023
  C      -2.503636     -1.701781      3.399024
  C      -2.492286     -0.692906      2.269971
  O      -3.705402     -0.920458      1.500383
  C      -4.093898     -0.143120      0.473722
  C      -5.066323     -0.699154     -0.355151
  C      -5.579316      0.030909     -1.436233
  N      -5.217682      1.268123     -1.754911
  C      -4.271240      1.840205     -0.957470
  C      -3.871897      3.171463     -1.236824
  C      -2.933823      3.783754     -0.439892
  C      -2.385395      3.058139      0.641172
  N      -2.718775      1.815066      0.940753
  C      -3.654220      1.192534      0.171467
  C      -3.818426      4.716828      4.887655
  C      -5.046752      4.883429      3.984723
  C      -4.639708      5.396289      2.609477
  O      -5.522912      5.025783      1.523398
  C      -6.744735      5.565784      1.437419
  C      -7.328118      6.434116      2.351446
  C      -8.654538      6.866824      2.145006
  N      -9.423433      6.530808      1.121284
  C      -8.849159      5.720323      0.181724
  C      -9.598019      5.357155     -0.964152
  C      -9.013808      4.572587     -1.934416
  C      -7.679229      4.144223     -1.753779
  N      -6.948128      4.440780     -0.690632
  C      -7.514060      5.212716      0.272741
  C      -6.323444      2.104036      6.993496
  C      -6.906169      3.537134      6.947337
  C      -8.261332      3.629256      6.273117
  O      -8.081270      3.192889      4.909905
  C      -9.124169      3.259278      4.065397
  C     -10.369189      3.799842      4.353487
  C     -11.362951      3.804092      3.350836
  N     -11.223521      3.308339      2.132066
  C     -10.006575      2.760796      1.836816
  C      -9.799082      2.188005      0.557654
  C      -8.575425      1.636111      0.252397
  C      -7.551753      1.666224      1.223016
  N      -7.704105      2.178854      2.434755
  C      -8.911171      2.717181      2.754243
  H      -3.597616     -2.168250      5.217076
  H      -4.470364     -1.118026      4.082268
  H      -1.480624     -1.771523      3.802484
  H      -2.756779     -2.699672      3.005151
  H      -1.630721     -0.831378      1.598149
  H      -2.477294      0.335301      2.647049
  H      -5.422823     -1.708262     -0.146123
  H      -6.337499     -0.433330     -2.075956
  H      -4.344670      3.681077     -2.076188
  H      -2.620954      4.812918     -0.621355
  H      -1.637109      3.525072      1.290628
  H      -3.133220      5.573226      4.718107
  H      -4.147507      4.813418      5.945020
  H      -5.760189      5.562414      4.471927
  H      -5.549066      3.911765      3.876169
  H      -3.690775      4.924870      2.322669
  H      -4.512902      6.492834      2.603690
  H      -6.793590      6.773482      3.235192
  H      -9.106560      7.530409      2.890382
  H     -10.624693      5.718435     -1.043501
  H      -9.563220      4.277593     -2.829644
  H      -7.194646      3.515100     -2.507997
  H      -6.622508      1.618444      7.944102
  H      -6.753025      1.515600      6.174552
  H      -6.207775      4.177597      6.390357
  H      -6.995679      3.964839      7.958162
  H      -8.629750      4.668477      6.281439
  H      -9.017579      2.986046      6.756931
  H     -10.596161      4.223876      5.329810
  H     -12.336951      4.247060      3.583942
  H     -10.622146      2.212712     -0.158089
  H      -8.373810      1.202635     -0.727226
  H      -6.565084      1.256183      0.994721
  N      -5.192134      1.537159      3.915873
  H      -6.086561      1.773078      3.438171
100
Coordinates from ORCA-job orca E -6429.526544137002
  N      -3.047498     -0.128941      5.255564
  Mo     -3.932843      1.653080      5.145442
  N      -4.873032      2.071978      6.851895
  C      -4.146458      2.625534      7.987384
  C      -2.788555      1.939835      8.086415
  N      -2.133210      1.965662      6.764048
  C      -1.211650      0.834125      6.545627
  C      -1.998542     -0.422822      6.224517
  C      -1.484669      3.262359      6.465945
  C      -1.685888      3.543526      4.974215
  N      -3.093984      3.477097      4.632386
  H      -1.294010     -1.184107      5.841880
  H      -2.442231     -0.855728      7.145550
  H      -0.588170      1.091192      5.677645
  H      -0.544099      0.682081      7.415384
  H      -1.257086      4.531285      4.716093
  H      -1.130224      2.791503      4.385964
  H      -1.988413      4.043899      7.052422
  H      -0.420654      3.247993      6.768972
  H      -4.705899      2.450316      8.925803
  H      -4.014834      3.724991      7.905522
  H      -2.946766      0.888011      8.364525
  H      -2.149448      2.407398      8.858702
  C      -3.485760     -1.315929      4.519990
  C      -2.505598     -1.703044      3.398942
  C      -2.493516     -0.694152      2.269921
  O      -3.707932     -0.919146      1.501661
  C      -4.095070     -0.141631      0.474514
  C      -5.067385     -0.696950     -0.354884
  C      -5.578658      0.033186     -1.436780
  N      -5.215517      1.269903     -1.755575
  C      -4.269489      1.841524     -0.957266
  C      -3.869072      3.172457     -1.236437
  C      -2.931561      3.784351     -0.438520
  C      -2.384807      3.058652      0.643308
  N      -2.719311      1.815829      0.942778
  C      -3.654122      1.193644      0.172460
  C      -3.817154      4.717670      4.887281
  C      -5.045807      4.885371      3.984891
  C      -4.638572      5.397504      2.609461
  O      -5.521794      5.026889      1.523354
  C      -6.744056      5.565895      1.437727
  C      -7.328136      6.433613      2.351916
  C      -8.654964      6.865180      2.145675
  N      -9.423664      6.528722      1.121952
  C      -8.848809      5.718810      0.182273
  C      -9.597395      5.355188     -0.963654
  C      -9.012614      4.571046     -1.933966
  C      -7.677785      4.143537     -1.753241
  N      -6.946863      4.440763     -0.690184
  C      -7.513306      5.212276      0.273153
  C      -6.323040      2.104541      6.993458
  C      -6.905965      3.537541      6.946373
  C      -8.261559      3.628871      6.273031
  O      -8.081721      3.193446      4.909510
  C      -9.125112      3.258387      4.065560
  C     -10.370553      3.797716      4.354153
  C     -11.364677      3.800987      3.351863
  N     -11.225148      3.305437      2.133024
  C     -10.007807      2.759049      1.837320
  C      -9.800164      2.186482      0.558091
  C      -8.576024      1.635805      0.252435
  C      -7.552012      1.667108      1.222632
  N      -7.704500      2.179468      2.434464
  C      -8.912064      2.716451      2.754358
  H      -3.599774     -2.168218      5.217313
  H      -4.471775     -1.117820      4.082137
  H      -1.482584     -1.773572      3.802266
  H      -2.759732     -2.700820      3.005403
  H      -1.632949     -0.834108      1.597123
  H      -2.475904      0.333918      2.647271
  H      -5.424906     -1.705733     -0.146038
  H      -6.336643     -0.430607     -2.077048
  H      -4.340546      3.682235     -2.076427
  H      -2.617777      4.813267     -0.619816
  H      -1.636958      3.525307      1.293458
  H      -3.131515      5.573679      4.717437
  H      -4.145662      4.814463      5.944811
  H      -5.758090      5.565259      4.472504
  H      -5.549272      3.914247      3.876900
  H      -3.689841      4.925573      2.322825
  H      -4.511289      6.493987      2.603281
  H      -6.793799      6.773188      3.235674
  H      -9.107412      7.528294      2.891206
  H     -10.624296      5.715807     -1.043035
  H      -9.561872      4.275717     -2.829174
  H      -7.192980      3.514490     -2.507361
  H      -6.621645      1.619789      7.944659
  H      -6.753028      1.515167      6.175371
  H      -6.208041      4.177437      6.388145
  H      -6.994540      3.966147      7.956885
  H      -8.631165      4.667657      6.282029
  H      -9.016858      2.984646      6.757014
  H     -10.597441      4.221663      5.330525
  H     -12.339028      4.243015      3.585282
  H     -10.623437      2.210176     -0.157438
  H      -8.374323      1.202545     -0.727257
  H      -6.564890      1.258364      0.993841
  N      -5.193932      1.541421      3.916995
  H      -6.087699      1.776840      3.437805
100
Coordinates from ORCA-job orca E -6429.526547515685
  N      -3.048757     -0.129086      5.254664
  Mo     -3.933279      1.653712      5.144983
  N      -4.873137      2.071538      6.852204
  C      -4.146257      2.626166      7.986947
  C      -2.788552      1.940138      8.086067
  N      -2.133821      1.965200      6.763314
  C      -1.212667      0.833226      6.544833
  C      -2.000036     -0.423372      6.223799
  C      -1.484664      3.261671      6.465063
  C      -1.685954      3.543019      4.973434
  N      -3.094225      3.477574      4.631842
  H      -1.295856     -1.185121      5.841435
  H      -2.444075     -0.855859      7.144877
  H      -0.589105      1.090237      5.676891
  H      -0.545194      0.680975      7.414613
  H      -1.256536      4.530449      4.715133
  H      -1.130990      2.790523      4.385090
  H      -1.988205      4.043317      7.051570
  H      -0.420705      3.246828      6.768224
  H      -4.705642      2.451809      8.925578
  H      -4.014425      3.725528      7.904129
  H      -2.946957      0.888548      8.364915
  H      -2.148861      2.408004      8.857668
  C      -3.487414     -1.315730      4.518945
  C      -2.507356     -1.703175      3.397883
  C      -2.494241     -0.693807      2.269316
  O      -3.709171     -0.916759      1.501368
  C      -4.095514     -0.138382      0.474593
  C      -5.068892     -0.692060     -0.354616
  C      -5.578659      0.038658     -1.436848
  N      -5.213177      1.274619     -1.755911
  C      -4.266521      1.844846     -0.957293
  C      -3.864077      3.175126     -1.236430
  C      -2.925814      3.785671     -0.438337
  C      -2.380290      3.059182      0.643574
  N      -2.716863      1.816908      0.943135
  C      -3.652421      1.196117      0.172633
  C      -3.816255      4.718714      4.887102
  C      -5.045260      4.887320      3.985274
  C      -4.637829      5.397608      2.609167
  O      -5.521040      5.025937      1.523338
  C      -6.743676      5.564284      1.437708
  C      -7.328337      6.431726      2.351810
  C      -8.655584      6.862066      2.145615
  N      -9.424037      6.525026      1.121910
  C      -8.848589      5.715597      0.182206
  C      -9.596765      5.351538     -0.963865
  C      -9.011444      4.567445     -1.933904
  C      -7.676526      4.140292     -1.752688
  N      -6.945957      4.438230     -0.689650
  C      -7.512809      5.209904      0.273302
  C      -6.323032      2.104730      6.993918
  C      -6.905434      3.537950      6.945827
  C      -8.261383      3.629220      6.273271
  O      -8.082094      3.194205      4.909560
  C      -9.126087      3.257980      4.066310
  C     -10.371387      3.797493      4.355177
  C     -11.365817      3.800584      3.353170
  N     -11.226654      3.304808      2.134395
  C     -10.009587      2.757871      1.838562
  C      -9.802362      2.185046      0.559395
  C      -8.578545      1.633593      0.253713
  C      -7.554332      1.664835      1.223663
  N      -7.706356      2.177791      2.435302
  C      -8.913666      2.715198      2.755349
  H      -3.602288     -2.168011      5.216128
  H      -4.473215     -1.117098      4.080734
  H      -1.484503     -1.774402      3.801521
  H      -2.762003     -2.700693      3.004054
  H      -1.634128     -0.834705      1.596124
  H      -2.474653      0.334074      2.647172
  H      -5.428172     -1.700212     -0.145745
  H      -6.337257     -0.424028     -2.077186
  H      -4.334578      3.685574     -2.076550
  H      -2.610456      4.814116     -0.619590
  H      -1.631587      3.524600      1.293612
  H      -3.130148      5.574220      4.716553
  H      -4.143900      4.816055      5.944847
  H      -5.756274      5.568562      4.472822
  H      -5.550019      3.916767      3.878483
  H      -3.689174      4.925096      2.323198
  H      -4.510103      6.494040      2.601645
  H      -6.794234      6.771647      3.235545
  H      -9.108576      7.524778      2.891177
  H     -10.623771      5.711782     -1.043593
  H      -9.560378      4.271790     -2.829199
  H      -7.191712      3.510483     -2.506164
  H      -6.621775      1.620923      7.945582
  H      -6.753497      1.514771      6.176497
  H      -6.207589      4.177058      6.386604
  H      -6.993120      3.967298      7.956099
  H      -8.631299      4.667900      6.282687
  H      -9.016234      2.984672      6.757536
  H     -10.597754      4.222030      5.331406
  H     -12.339991      4.242976      3.586647
  H     -10.625600      2.209180     -0.156165
  H      -8.377161      1.200013     -0.725898
  H      -6.567325      1.255805      0.994719
  N      -5.196781      1.545894      3.919095
  H      -6.090422      1.779945      3.438875
100
Coordinates from ORCA-job orca E -6429.526550441734
  N      -3.049997     -0.129391      5.253842
  Mo     -3.933929      1.653934      5.144488
  N      -4.873370      2.071292      6.852147
  C      -4.146121      2.626790      7.986193
  C      -2.788460      1.940700      8.085310
  N      -2.134280      1.964715      6.762195
  C      -1.213711      0.832186      6.543954
  C      -2.001693     -0.424087      6.223317
  C      -1.484401      3.260752      6.463347
  C      -1.685584      3.541636      4.971642
  N      -3.093991      3.477165      4.630210
  H      -1.297823     -1.186355      5.841385
  H      -2.446191     -0.856053      7.144427
  H      -0.590210      1.088671      5.675806
  H      -0.546093      0.679977      7.413626
  H      -1.255494      4.528635      4.712850
  H      -1.131309      2.788466      4.383496
  H      -1.987701      4.042831      7.049491
  H      -0.420519      3.245508      6.766733
  H      -4.705285      2.453121      8.925095
  H      -4.014105      3.726067      7.902530
  H      -2.946535      0.889381      8.365319
  H      -2.148397      2.409432      8.856073
  C      -3.489303     -1.315754      4.518190
  C      -2.509104     -1.704024      3.397497
  C      -2.494091     -0.694349      2.269261
  O      -3.708504     -0.915772      1.500077
  C      -4.094146     -0.135917      0.474211
  C      -5.067827     -0.688090     -0.355678
  C      -5.576538      0.043744     -1.437632
  N      -5.209997      1.279677     -1.755617
  C      -4.263395      1.848602     -0.956008
  C      -3.860244      3.178951     -1.233722
  C      -2.921926      3.788309     -0.434776
  C      -2.376962      3.060490      0.646520
  N      -2.714310      1.818116      0.944859
  C      -3.649997      1.198522      0.173557
  C      -3.814811      4.718945      4.886037
  C      -5.044324      4.888248      3.985080
  C      -4.637374      5.397390      2.608392
  O      -5.520890      5.024818      1.523138
  C      -6.743671      5.563054      1.437597
  C      -7.328184      6.430945      2.351370
  C      -8.655599      6.860816      2.145257
  N      -9.424200      6.523191      1.121873
  C      -8.848838      5.713453      0.182401
  C      -9.597025      5.349063     -0.963563
  C      -9.011768      4.564479     -1.933202
  C      -7.676961      4.136971     -1.751634
  N      -6.946356      4.435430     -0.688816
  C      -7.513055      5.207840      0.273661
  C      -6.323208      2.105523      6.993768
  C      -6.904773      3.539106      6.944720
  C      -8.261041      3.630682      6.272874
  O      -8.082544      3.195575      4.909102
  C      -9.127143      3.258371      4.066577
  C     -10.372415      3.797747      4.355729
  C     -11.367305      3.799994      3.354143
  N     -11.228609      3.303512      2.135610
  C     -10.011650      2.756382      1.839647
  C      -9.804950      2.182517      0.560871
  C      -8.581375      1.630447      0.255252
  C      -7.556796      1.662365      1.224798
  N      -7.708271      2.176692      2.435916
  C      -8.915368      2.714485      2.755995
  H      -3.605326     -2.167846      5.215409
  H      -4.474736     -1.116467      4.079386
  H      -1.486598     -1.776276      3.801860
  H      -2.764417     -2.701201      3.003274
  H      -1.633627     -0.836273      1.596692
  H      -2.473310      0.333425      2.647250
  H      -5.428030     -1.696099     -0.147696
  H      -6.335162     -0.417940     -2.078656
  H      -4.330334      3.690422     -2.073450
  H      -2.606146      4.816821     -0.614916
  H      -1.628063      3.524785      1.297135
  H      -3.128189      5.573893      4.714701
  H      -4.141356      4.816794      5.944071
  H      -5.754551      5.570185      4.472787
  H      -5.549775      3.917942      3.879129
  H      -3.688779      4.924642      2.322620
  H      -4.509449      6.493797      2.599885
  H      -6.793931      6.771409      3.234773
  H      -9.108647      7.523699      2.890636
  H     -10.623928      5.709529     -1.043579
  H      -9.560567      4.268773     -2.828556
  H      -7.192440      3.506442     -2.504667
  H      -6.622391      1.622672      7.945787
  H      -6.754118      1.515262      6.176794
  H      -6.206830      4.177455      6.384793
  H      -6.991802      3.969071      7.954793
  H      -8.630640      4.669476      6.282418
  H      -9.015783      2.986349      6.757588
  H     -10.598428      4.222838      5.331790
  H     -12.341465      4.242336      3.587774
  H     -10.628381      2.206351     -0.154475
  H      -8.380412      1.195851     -0.723993
  H      -6.570009      1.252615      0.996034
  N      -5.198999      1.547915      3.920313
  H      -6.092161      1.781568      3.438981
100
Coordinates from ORCA-job orca E -6429.526554823973
  N      -3.051105     -0.128713      5.251899
  Mo     -3.935372      1.655018      5.145079
  N      -4.873891      2.069376      6.854024
  C      -4.146079      2.625707      7.987227
  C      -2.787839      1.940610      8.085250
  N      -2.135048      1.964219      6.761297
  C      -1.214922      0.831431      6.542486
  C      -2.003444     -0.424396      6.221744
  C      -1.484795      3.260078      6.462135
  C      -1.685769      3.540643      4.970435
  N      -3.094364      3.477361      4.628982
  H      -1.299755     -1.186984      5.840065
  H      -2.448574     -0.856258      7.142615
  H      -0.591863      1.087787      5.673967
  H      -0.546719      0.679063      7.411667
  H      -1.254950      4.527207      4.711250
  H      -1.132260      2.786834      4.382384
  H      -1.988220      4.042340      7.047949
  H      -0.421057      3.244721      6.766006
  H      -4.704376      2.451845      8.926630
  H      -4.014592      3.725038      7.903176
  H      -2.944053      0.889441      8.366781
  H      -2.147349      2.411124      8.854565
  C      -3.491744     -1.314465      4.516298
  C      -2.511448     -1.704380      3.396189
  C      -2.493584     -0.694724      2.268018
  O      -3.706838     -0.914926      1.496666
  C      -4.092208     -0.132880      0.472476
  C      -5.067112     -0.682690     -0.357631
  C      -5.575056      0.050889     -1.438707
  N      -5.206823      1.286644     -1.755540
  C      -4.259452      1.853409     -0.955343
  C      -3.854805      3.183622     -1.231558
  C      -2.915491      3.790958     -0.432232
  C      -2.370947      3.061202      0.647967
  N      -2.709748      1.818886      0.945002
  C      -3.646496      1.201340      0.173343
  C      -3.813618      4.720107      4.885491
  C      -5.043854      4.890035      3.985772
  C      -4.637884      5.397159      2.607960
  O      -5.521438      5.022155      1.523636
  C      -6.744438      5.560102      1.437338
  C      -7.329381      6.428507      2.350329
  C      -8.656909      6.857687      2.143425
  N      -9.424936      6.519372      1.119860
  C      -8.848984      5.709362      0.180989
  C      -9.596277      5.344863     -0.965529
  C      -9.010366      4.559818     -1.934337
  C      -7.675905      4.131600     -1.751277
  N      -6.946123      4.430422     -0.688069
  C      -7.513293      5.203790      0.273448
  C      -6.323691      2.105608      6.995101
  C      -6.903432      3.539924      6.944551
  C      -8.259936      3.632548      6.273283
  O      -8.082594      3.196757      4.909559
  C      -9.127901      3.259081      4.067876
  C     -10.372660      3.799393      4.357399
  C     -11.368133      3.801546      3.356351
  N     -11.230454      3.304302      2.138021
  C     -10.014118      2.755863      1.841817
  C      -9.808560      2.180992      0.563313
  C      -8.585888      1.626908      0.257680
  C      -7.560965      1.658040      1.226870
  N      -7.711251      2.174047      2.437434
  C      -8.917461      2.713636      2.757688
  H      -3.609646     -2.166267      5.213576
  H      -4.476587     -1.114005      4.076642
  H      -1.489449     -1.778138      3.801608
  H      -2.767793     -2.701102      3.001557
  H      -1.632294     -0.838293      1.596790
  H      -2.471666      0.333174      2.645533
  H      -5.428742     -1.690376     -0.150546
  H      -6.334338     -0.409172     -2.080122
  H      -4.324687      3.696586     -2.070491
  H      -2.598758      4.819376     -0.611248
  H      -1.621084      3.523613      1.298796
  H      -3.126332      5.574267      4.712855
  H      -4.138464      4.818799      5.943968
  H      -5.753159      5.572958      4.473442
  H      -5.550008      3.919947      3.881322
  H      -3.688975      4.924637      2.322833
  H      -4.510516      6.493624      2.597457
  H      -6.795550      6.769728      3.233667
  H      -9.110663      7.520650      2.888311
  H     -10.622965      5.705693     -1.046675
  H      -9.558189      4.264359     -2.830365
  H      -7.191153      3.500160     -2.503390
  H      -6.623989      1.624191      7.947498
  H      -6.755164      1.515250      6.178556
  H      -6.204885      4.176992      6.383974
  H      -6.989820      3.970716      7.954349
  H      -8.628254      4.671818      6.282620
  H      -9.015127      2.989233      6.758627
  H     -10.597868      4.225357      5.333269
  H     -12.341855      4.244730      3.590217
  H     -10.632153      2.205742     -0.151822
  H      -8.385805      1.191178     -0.721249
  H      -6.574992      1.246120      0.998389
  N      -5.203405      1.551209      3.924169
  H      -6.095901      1.783381      3.440839
100
Coordinates from ORCA-job orca E -6429.526556861211
  N      -3.051479     -0.128358      5.250860
  Mo     -3.936086      1.655360      5.145530
  N      -4.874204      2.068596      6.854961
  C      -4.146099      2.625022      7.987866
  C      -2.787594      1.940403      8.085260
  N      -2.135436      1.963889      6.760939
  C      -1.215508      0.830958      6.541967
  C      -2.004296     -0.424649      6.221015
  C      -1.484955      3.259590      6.461566
  C      -1.685547      3.539725      4.969746
  N      -3.094164      3.477136      4.628026
  H      -1.300637     -1.187367      5.839515
  H      -2.449907     -0.856500      7.141659
  H      -0.592569      1.087123      5.673305
  H      -0.547132      0.678511      7.410984
  H      -1.254188      4.526000      4.710329
  H      -1.132368      2.785494      4.381939
  H      -1.988432      4.042106      7.047010
  H      -0.421307      3.244195      6.765762
  H      -4.703882      2.450967      8.927547
  H      -4.014809      3.724401      7.903805
  H      -2.942904      0.889255      8.367351
  H      -2.146944      2.411664      8.853981
  C      -3.493027     -1.313898      4.515489
  C      -2.512755     -1.705038      3.395800
  C      -2.493181     -0.695580      2.267483
  O      -3.705732     -0.915201      1.494756
  C      -4.090770     -0.132021      0.471296
  C      -5.065261     -0.681138     -0.359795
  C      -5.572842      0.053414     -1.440354
  N      -5.204636      1.289514     -1.755864
  C      -4.257700      1.855617     -0.954741
  C      -3.853024      3.186129     -1.229615
  C      -2.914147      3.792871     -0.429326
  C      -2.370104      3.062270      0.650546
  N      -2.708854      1.819635      0.946301
  C      -3.645139      1.202604      0.173631
  C      -3.812629      4.720378      4.884762
  C      -5.043261      4.890675      3.985742
  C      -4.638051      5.397236      2.607499
  O      -5.521717      5.021189      1.523713
  C      -6.744682      5.559134      1.437070
  C      -7.329455      6.428178      2.349544
  C      -8.656797      6.857719      2.142216
  N      -9.424760      6.519175      1.118683
  C      -8.848969      5.708390      0.180366
  C      -9.596206      5.343673     -0.966116
  C      -9.010478      4.557836     -1.934365
  C      -7.676278      4.129007     -1.750782
  N      -6.946543      4.428004     -0.687572
  C      -7.513522      5.202260      0.273360
  C      -6.324014      2.106362      6.995665
  C      -6.902465      3.541165      6.943971
  C      -8.259074      3.634353      6.272941
  O      -8.082462      3.197418      4.909472
  C      -9.128141      3.259534      4.068236
  C     -10.372900      3.799597      4.358193
  C     -11.368964      3.800855      3.357737
  N     -11.231871      3.302950      2.139602
  C     -10.015504      2.754802      1.842979
  C      -9.810519      2.179234      0.564691
  C      -8.587938      1.625141      0.258722
  C      -7.562516      1.656904      1.227369
  N      -7.712197      2.173823      2.437629
  C      -8.918292      2.713481      2.758222
  H      -3.611827     -2.165471      5.212921
  H      -4.477589     -1.112726      4.075549
  H      -1.491010     -1.779924      3.801659
  H      -2.770037     -2.701484      3.001086
  H      -1.631326     -0.840128      1.597150
  H      -2.470955      0.332421      2.644564
  H      -5.426823     -1.689073     -0.153789
  H      -6.331811     -0.406111     -2.082524
  H      -4.322626      3.699729     -2.068327
  H      -2.597441      4.821474     -0.607355
  H      -1.620779      3.524238      1.302311
  H      -3.124889      5.574060      4.711562
  H      -4.136776      4.819516      5.943428
  H      -5.752192      5.573897      4.473558
  H      -5.549679      3.920612      3.881800
  H      -3.689020      4.924950      2.322404
  H      -4.511180      6.493750      2.596262
  H      -6.795591      6.769797      3.232714
  H      -9.110483      7.521195      2.886691
  H     -10.622709      5.704938     -1.047647
  H      -9.558180      4.262229     -2.830426
  H      -7.191604      3.497058     -2.502509
  H      -6.624985      1.625944      7.948341
  H      -6.755821      1.515927      6.179356
  H      -6.203482      4.177193      6.382779
  H      -6.988391      3.972876      7.953423
  H      -8.626516      4.673939      6.281581
  H      -9.014644      2.991997      6.758947
  H     -10.597780      4.225860      5.334010
  H     -12.342745      4.243689      3.592017
  H     -10.634539      2.203423     -0.149966
  H      -8.388342      1.188792     -0.720037
  H      -6.576717      1.244619      0.998759
  N      -5.205428      1.551954      3.926094
  H      -6.097092      1.783802      3.441023
100
Coordinates from ORCA-job orca E -6429.526559070858
  N      -3.051324     -0.126860      5.248999
  Mo     -3.937300      1.656421      5.147259
  N      -4.874464      2.066917      6.857875
  C      -4.145787      2.623036      7.990475
  C      -2.786586      1.939602      8.086099
  N      -2.135822      1.963790      6.761021
  C      -1.215776      0.831072      6.541144
  C      -2.004694     -0.424248      6.219379
  C      -1.485564      3.259601      6.461677
  C      -1.685761      3.539363      4.969771
  N      -3.094388      3.477530      4.627667
  H      -1.301007     -1.186893      5.837771
  H      -2.450879     -0.856442      7.139583
  H      -0.593129      1.087515      5.672363
  H      -0.547115      0.678269      7.409838
  H      -1.253812      4.525360      4.710234
  H      -1.132917      2.784764      4.382161
  H      -1.989286      4.042168      7.046852
  H      -0.421986      3.244457      6.766159
  H      -4.702410      2.447911      8.930656
  H      -4.015319      3.722615      7.907070
  H      -2.940197      0.888259      8.368393
  H      -2.145583      2.411655      8.854023
  C      -3.494569     -1.312123      4.514139
  C      -2.514580     -1.705598      3.395095
  C      -2.492844     -0.696958      2.266057
  O      -3.704364     -0.916794      1.491568
  C      -4.089521     -0.132406      0.469033
  C      -5.063791     -0.680839     -0.362817
  C      -5.571597      0.054889     -1.442440
  N      -5.203547      1.291368     -1.756632
  C      -4.256710      1.856755     -0.954977
  C      -3.851754      3.187462     -1.228742
  C      -2.913059      3.793496     -0.427708
  C      -2.369672      3.062169      0.651989
  N      -2.708450      1.819264      0.946566
  C      -3.644346      1.202768      0.172940
  C      -3.811987      4.721362      4.884542
  C      -5.043144      4.891999      3.986431
  C      -4.639234      5.398185      2.607615
  O      -5.522668      5.020082      1.524439
  C      -6.745733      5.557489      1.436697
  C      -7.331349      6.426568      2.348574
  C      -8.658342      6.856492      2.139840
  N      -9.425268      6.518104      1.115464
  C      -8.848736      5.706855      0.177968
  C      -9.594903      5.342263     -0.969249
  C      -9.008420      4.556159     -1.936838
  C      -7.674588      4.126896     -1.751825
  N      -6.945832      4.425703     -0.687836
  C      -7.513531      5.200312      0.272381
  C      -6.324308      2.106766      6.998277
  C      -6.901019      3.542134      6.944597
  C      -8.257677      3.635837      6.273610
  O      -8.081901      3.196828      4.910639
  C      -9.127743      3.259506      4.069591
  C     -10.372462      3.799344      4.360235
  C     -11.369203      3.800147      3.360491
  N     -11.232792      3.302114      2.142306
  C     -10.016329      2.754655      1.844819
  C      -9.811977      2.179308      0.566302
  C      -8.589390      1.625765      0.259412
  C      -7.563371      1.657616      1.227401
  N      -7.712407      2.174433      2.437820
  C      -8.918455      2.713751      2.759324
  H      -3.614712     -2.163207      5.211979
  H      -4.478717     -1.109639      4.073939
  H      -1.493085     -1.782341      3.801211
  H      -2.773650     -2.701694      3.000656
  H      -1.630072     -0.842684      1.597139
  H      -2.470965      0.331402      2.642053
  H      -5.424950     -1.689155     -0.157954
  H      -6.330536     -0.404004     -2.085107
  H      -4.321084      3.701659     -2.067246
  H      -2.596048      4.822129     -0.605038
  H      -1.620967      3.523791      1.304707
  H      -3.123686      5.574435      4.710589
  H      -4.135298      4.821117      5.943444
  H      -5.751591      5.575526      4.474575
  H      -5.549791      3.921967      3.883113
  H      -3.689657      4.926999      2.322522
  H      -4.514136      6.494883      2.595429
  H      -6.798267      6.768278      3.232204
  H      -9.112660      7.520149      2.883762
  H     -10.621237      5.703782     -1.051801
  H      -9.555217      4.260655     -2.833491
  H      -7.188973      3.495085     -2.503073
  H      -6.625926      1.627901      7.951501
  H      -6.756532      1.516017      6.182473
  H      -6.201395      4.176445      6.382265
  H      -6.986336      3.975641      7.953334
  H      -8.623931      4.675857      6.280765
  H      -9.013883      2.995023      6.760655
  H     -10.596921      4.225552      5.336187
  H     -12.343036      4.242482      3.595500
  H     -10.636621      2.203079     -0.147645
  H      -8.390335      1.189593     -0.719548
  H      -6.577725      1.245412      0.998115
  N      -5.209071      1.553384      3.930516
  H      -6.099144      1.784625      3.442197
100
Coordinates from ORCA-job orca E -6429.526560578227
  N      -3.051123     -0.126526      5.248568
  Mo     -3.937749      1.656391      5.148117
  N      -4.874410      2.066611      6.859134
  C      -4.145374      2.622614      7.991533
  C      -2.786088      1.939298      8.086498
  N      -2.135869      1.963705      6.761150
  C      -1.215661      0.831113      6.541014
  C      -2.004533     -0.424172      6.218948
  C      -1.485834      3.259580      6.461644
  C      -1.686065      3.539076      4.969687
  N      -3.094689      3.477359      4.627548
  H      -1.300865     -1.186766      5.837232
  H      -2.450832     -0.856453      7.139050
  H      -0.593004      1.087718      5.672298
  H      -0.547083      0.678191      7.409733
  H      -1.253952      4.524981      4.710029
  H      -1.133295      2.784338      4.382195
  H      -1.989562      4.042193      7.046749
  H      -0.422206      3.244621      6.765978
  H      -4.701535      2.447315      8.931955
  H      -4.015089      3.722240      7.908246
  H      -2.939623      0.887868      8.368534
  H      -2.144778      2.411121      8.854293
  C      -3.494841     -1.311867      4.513998
  C      -2.515051     -1.705983      3.395071
  C      -2.492794     -0.697441      2.265919
  O      -3.704051     -0.917418      1.490951
  C      -4.089225     -0.132796      0.468543
  C      -5.063029     -0.681368     -0.363753
  C      -5.570877      0.054540     -1.443236
  N      -5.203122      1.291200     -1.757017
  C      -4.256606      1.856688     -0.955069
  C      -3.851707      3.187463     -1.228636
  C      -2.913404      3.793570     -0.427199
  C      -2.370479      3.062335      0.652783
  N      -2.709111      1.819327      0.947101
  C      -3.644474      1.202651      0.172943
  C      -3.812174      4.721270      4.884239
  C      -5.043421      4.892043      3.986257
  C      -4.639780      5.398510      2.607447
  O      -5.523049      5.019988      1.524280
  C      -6.746100      5.557249      1.436238
  C      -7.332018      6.426121      2.348123
  C      -8.658798      6.856460      2.138953
  N      -9.425381      6.518450      1.114184
  C      -8.848669      5.707111      0.176865
  C      -9.594596      5.342590     -0.970527
  C      -9.007998      4.556380     -1.937988
  C      -7.674248      4.127087     -1.752727
  N      -6.945701      4.425759     -0.688505
  C      -7.513569      5.200318      0.271612
  C      -6.324261      2.107092      6.999785
  C      -6.900511      3.542571      6.944922
  C      -8.257201      3.636073      6.273925
  O      -8.081703      3.195855      4.911290
  C      -9.127457      3.259056      4.070146
  C     -10.372240      3.798647      4.361083
  C     -11.369158      3.799459      3.361547
  N     -11.232864      3.301612      2.143256
  C     -10.016283      2.754645      1.845399
  C      -9.812029      2.179689      0.566673
  C      -8.589275      1.626774      0.259302
  C      -7.563005      1.658856      1.226998
  N      -7.711940      2.175187      2.437655
  C      -8.918167      2.713897      2.759637
  H      -3.615147     -2.162770      5.212039
  H      -4.478948     -1.109028      4.073906
  H      -1.493578     -1.783634      3.801033
  H      -2.775001     -2.701875      3.000663
  H      -1.629732     -0.843085      1.597377
  H      -2.471377      0.330927      2.641864
  H      -5.423723     -1.689942     -0.159335
  H      -6.329607     -0.404360     -2.086147
  H      -4.320759      3.701616     -2.067324
  H      -2.596281      4.822182     -0.604458
  H      -1.622353      3.524207      1.305992
  H      -3.123731      5.574199      4.710144
  H      -4.135494      4.821248      5.943133
  H      -5.751659      5.575666      4.474598
  H      -5.550248      3.922083      3.882902
  H      -3.689990      4.927842      2.322220
  H      -4.515460      6.495289      2.595295
  H      -6.799219      6.767482      3.232075
  H      -9.113215      7.520125      2.882805
  H     -10.620899      5.704162     -1.053249
  H      -9.554713      4.260761     -2.834660
  H      -7.188335      3.495389     -2.503880
  H      -6.625725      1.629066      7.953464
  H      -6.756731      1.515843      6.184467
  H      -6.200747      4.175985      6.381735
  H      -6.985444      3.977270      7.953170
  H      -8.623277      4.676159      6.280119
  H      -9.013516      2.995856      6.761593
  H     -10.596622      4.224589      5.337175
  H     -12.343063      4.241478      3.596851
  H     -10.636925      2.203176     -0.146988
  H      -8.390352      1.190949     -0.719838
  H      -6.577218      1.247305      0.997190
  N      -5.210445      1.553320      3.932410
  H      -6.099708      1.784589      3.442549
100
Coordinates from ORCA-job orca E -6429.526561369741
  N      -3.050922     -0.126261      5.248233
  Mo     -3.938559      1.656014      5.149524
  N      -4.874244      2.066633      6.861132
  C      -4.144510      2.622687      7.993059
  C      -2.785361      1.939028      8.087193
  N      -2.135930      1.963487      6.761476
  C      -1.215480      0.831021      6.541144
  C      -2.004346     -0.424169      6.218662
  C      -1.486220      3.259406      6.461463
  C      -1.686793      3.538402      4.969447
  N      -3.095432      3.476798      4.627535
  H      -1.300860     -1.186840      5.836838
  H      -2.450839     -0.856348      7.138701
  H      -0.592545      1.087917      5.672739
  H      -0.547350      0.677858      7.410138
  H      -1.254467      4.524143      4.709467
  H      -1.134220      2.783381      4.382144
  H      -1.989765      4.042141      7.046548
  H      -0.422432      3.244687      6.765266
  H      -4.700075      2.447549      8.933867
  H      -4.014293      3.722330      7.909625
  H      -2.939610      0.887516      8.368601
  H      -2.143331      2.409907      8.854948
  C      -3.494645     -1.311737      4.513663
  C      -2.514733     -1.705941      3.394971
  C      -2.492282     -0.697151      2.265967
  O      -3.702484     -0.918697      1.489705
  C      -4.088571     -0.133688      0.467897
  C      -5.062392     -0.682417     -0.364262
  C      -5.571023      0.053728     -1.443217
  N      -5.203798      1.290603     -1.756741
  C      -4.257089      1.856185     -0.955081
  C      -3.852319      3.186976     -1.228720
  C      -2.913754      3.793022     -0.427537
  C      -2.370620      3.061819      0.652362
  N      -2.709087      1.818767      0.946693
  C      -3.644497      1.202039      0.172614
  C      -3.812746      4.720782      4.883887
  C      -5.044106      4.891800      3.986048
  C      -4.640712      5.398559      2.607234
  O      -5.523859      5.019516      1.524066
  C      -6.746786      5.556828      1.435516
  C      -7.333223      6.425304      2.347466
  C      -8.659610      6.856428      2.137520
  N      -9.425589      6.519200      1.112022
  C      -8.848588      5.707775      0.174958
  C      -9.594008      5.343562     -0.972859
  C      -9.007145      4.557328     -1.940195
  C      -7.673569      4.127888     -1.754449
  N      -6.945466      4.426231     -0.689768
  C      -7.513675      5.200545      0.270278
  C      -6.324085      2.107447      7.002616
  C      -6.900203      3.542846      6.945730
  C      -8.257060      3.635469      6.274924
  O      -8.081967      3.193425      4.912798
  C      -9.127347      3.257845      4.071251
  C     -10.372202      3.797228      4.362467
  C     -11.369063      3.798742      3.362920
  N     -11.232678      3.301633      2.144316
  C     -10.015968      2.755230      1.846050
  C      -9.811661      2.181227      0.566879
  C      -8.588624      1.629271      0.258869
  C      -7.562152      1.661430      1.226315
  N      -7.711187      2.176496      2.437517
  C      -8.917750      2.714150      2.760174
  H      -3.615009     -2.162552      5.211785
  H      -4.478656     -1.108607      4.073523
  H      -1.493315     -1.784732      3.800784
  H      -2.775561     -2.701501      3.000246
  H      -1.628215     -0.841011      1.598401
  H      -2.473174      0.331095      2.642408
  H      -5.422322     -1.691339     -0.160215
  H      -6.329970     -0.405147     -2.085892
  H      -4.321601      3.701157     -2.067257
  H      -2.596368      4.821522     -0.604988
  H      -1.622546      3.523917      1.305468
  H      -3.124167      5.573548      4.709475
  H      -4.136081      4.821188      5.942763
  H      -5.751694      5.575902      4.474706
  H      -5.551553      3.922162      3.882785
  H      -3.690666      4.928586      2.321738
  H      -4.517471      6.495445      2.595139
  H      -6.800976      6.765839      3.232086
  H      -9.114167      7.520091      2.881283
  H     -10.620203      5.705357     -1.055969
  H      -9.553650      4.261779     -2.837025
  H      -7.187100      3.496443     -2.505463
  H      -6.624748      1.630786      7.957202
  H      -6.756935      1.514993      6.188372
  H      -6.200540      4.174877      6.380833
  H      -6.984384      3.979646      7.953111
  H      -8.623332      4.675481      6.279628
  H      -9.013217      2.995871      6.763679
  H     -10.596632      4.222421      5.338878
  H     -12.343029      4.240479      3.598498
  H     -10.636798      2.204534     -0.146507
  H      -8.389740      1.194225     -0.720623
  H      -6.576062      1.251138      0.995647
  N      -5.212501      1.553012      3.935182
  H      -6.100544      1.784547      3.443199
100
Coordinates from ORCA-job orca E -6429.526562678397
  N      -3.050947     -0.126642      5.248520
  Mo     -3.939110      1.655301      5.150422
  N      -4.874227      2.066770      6.862238
  C      -4.144022      2.623032      7.993774
  C      -2.785150      1.938799      8.087640
  N      -2.136020      1.963091      6.761795
  C      -1.215419      0.830694      6.541522
  C      -2.004189     -0.424508      6.218858
  C      -1.486546      3.259046      6.461368
  C      -1.687488      3.537740      4.969341
  N      -3.096166      3.475992      4.627719
  H      -1.300785     -1.187149      5.836863
  H      -2.450596     -0.856714      7.138919
  H      -0.592194      1.087793      5.673398
  H      -0.547663      0.677436      7.410780
  H      -1.255218      4.523442      4.709107
  H      -1.134961      2.782611      4.382119
  H      -1.990006      4.041829      7.046454
  H      -0.422646      3.244520      6.764789
  H      -4.699376      2.448345      8.934787
  H      -4.013596      3.722617      7.909968
  H      -2.940273      0.887292      8.368624
  H      -2.142628      2.408863      8.855474
  C      -3.494111     -1.312167      4.513618
  C      -2.514028     -1.705354      3.394738
  C      -2.491978     -0.695693      2.266464
  O      -3.701348     -0.918301      1.489216
  C      -4.088033     -0.133162      0.467739
  C      -5.062132     -0.682011     -0.364019
  C      -5.571105      0.053976     -1.442913
  N      -5.203978      1.290810     -1.756726
  C      -4.257035      1.856523     -0.955420
  C      -3.852337      3.187243     -1.229437
  C      -2.913447      3.793385     -0.428708
  C      -2.369926      3.062336      0.651102
  N      -2.708345      1.819354      0.945794
  C      -3.644069      1.202528      0.172167
  C      -3.813519      4.719970      4.883682
  C      -5.044823      4.890974      3.985691
  C      -4.641160      5.397364      2.606801
  O      -5.524342      5.018271      1.523613
  C      -6.746992      5.556190      1.434808
  C      -7.333298      6.424768      2.346756
  C      -8.659440      6.856519      2.136564
  N      -9.425366      6.519712      1.110886
  C      -8.848533      5.708102      0.173890
  C      -9.593948      5.344053     -0.973978
  C      -9.007268      4.557552     -1.941220
  C      -7.673822      4.127782     -1.755388
  N      -6.945739      4.425953     -0.690633
  C      -7.513810      5.200394      0.269372
  C      -6.324031      2.107531      7.004337
  C      -6.900254      3.542852      6.946314
  C      -8.257211      3.634935      6.275647
  O      -8.082377      3.191884      4.913819
  C      -9.127454      3.257269      4.071974
  C     -10.372120      3.797189      4.363065
  C     -11.368696      3.799669      3.363244
  N     -11.232248      3.302899      2.144505
  C     -10.015761      2.755958      1.846363
  C      -9.811471      2.182218      0.567069
  C      -8.588575      1.629913      0.259090
  C      -7.562188      1.661649      1.226627
  N      -7.711244      2.176301      2.438005
  C      -8.917741      2.714100      2.760700
  H      -3.614049     -2.163225      5.211498
  H      -4.478214     -1.109295      4.073551
  H      -1.492620     -1.784522      3.800468
  H      -2.774868     -2.700633      2.999288
  H      -1.627200     -0.837529      1.599432
  H      -2.474673      0.332223      2.643925
  H      -5.421895     -1.690960     -0.159810
  H      -6.330282     -0.404980     -2.085256
  H      -4.321908      3.701317     -2.067874
  H      -2.595990      4.821811     -0.606457
  H      -1.621563      3.524558      1.303790
  H      -3.125002      5.572749      4.709058
  H      -4.136970      4.820688      5.942495
  H      -5.751976      5.575645      4.474204
  H      -5.552813      3.921597      3.882715
  H      -3.691156      4.927272      2.321370
  H      -4.517897      6.494240      2.594539
  H      -6.801156      6.764789      3.231634
  H      -9.113827      7.520338      2.880293
  H     -10.620023      5.706174     -1.057202
  H      -9.553886      4.262034     -2.837990
  H      -7.187460      3.496075     -2.506251
  H      -6.624128      1.631678      7.959497
  H      -6.757166      1.514264      6.190824
  H      -6.200667      4.174220      6.380575
  H      -6.984085      3.980660      7.953279
  H      -8.623634      4.674893      6.279593
  H      -9.013226      2.995638      6.765032
  H     -10.596586      4.222062      5.339608
  H     -12.342468      4.241914      3.598676
  H     -10.636490      2.206020     -0.146436
  H      -8.389739      1.195025     -0.720477
  H      -6.576093      1.251451      0.995798
  N      -5.213491      1.552337      3.936582
  H      -6.101105      1.783969      3.443827
100
Coordinates from ORCA-job orca E -6429.526563949898
  N      -3.051477     -0.127815      5.249391
  Mo     -3.940242      1.653771      5.151635
  N      -4.874426      2.067346      6.863618
  C      -4.143378      2.624274      7.994318
  C      -2.785180      1.938687      8.088112
  N      -2.136320      1.962171      6.762151
  C      -1.215676      0.829673      6.542390
  C      -2.004440     -0.425502      6.219653
  C      -1.486943      3.257988      6.460752
  C      -1.688696      3.536039      4.968706
  N      -3.097517      3.474210      4.627902
  H      -1.301240     -1.188210      5.837472
  H      -2.450690     -0.857617      7.139815
  H      -0.591777      1.086859      5.674793
  H      -0.548664      0.676346      7.412207
  H      -1.256484      4.521595      4.707841
  H      -1.136475      2.780577      4.381603
  H      -1.990017      4.041035      7.045800
  H      -0.422844      3.243547      6.763454
  H      -4.698548      2.450863      8.935670
  H      -4.012255      3.723680      7.909444
  H      -2.942167      0.887318      8.368642
  H      -2.141790      2.407382      8.856054
  C      -3.492876     -1.313247      4.513224
  C      -2.511956     -1.703565      3.394027
  C      -2.491002     -0.691937      2.267441
  O      -3.698138     -0.917383      1.487674
  C      -4.086420     -0.131684      0.467330
  C      -5.061701     -0.680245     -0.363257
  C      -5.571648      0.055843     -1.441597
  N      -5.204628      1.292632     -1.755769
  C      -4.256706      1.858096     -0.955430
  C      -3.852131      3.188761     -1.229774
  C      -2.911866      3.794505     -0.430354
  C      -2.366734      3.063021      0.648379
  N      -2.705158      1.820141      0.943464
  C      -3.642391      1.203828      0.171276
  C      -3.814643      4.718310      4.883418
  C      -5.045919      4.889424      3.985349
  C      -4.641710      5.394086      2.605978
  O      -5.525426      5.014964      1.523145
  C      -6.747258      5.554769      1.433779
  C      -7.332607      6.424548      2.345209
  C      -8.658181      6.857830      2.134577
  N      -9.424409      6.521423      1.108999
  C      -8.848452      5.708693      0.172456
  C      -9.594126      5.344887     -0.975320
  C      -9.008216      4.557248     -1.942101
  C      -7.675227      4.126155     -1.755956
  N      -6.946962      4.424099     -0.691284
  C      -7.514315      5.199528      0.268350
  C      -6.324126      2.107804      7.006722
  C      -6.900733      3.542947      6.946996
  C      -8.257919      3.634071      6.276739
  O      -8.083532      3.189696      4.915284
  C      -9.128148      3.256474      4.072997
  C     -10.372456      3.797433      4.363722
  C     -11.368471      3.801510      3.363336
  N     -11.231909      3.305098      2.144470
  C     -10.015890      2.756888      1.846755
  C      -9.811702      2.183100      0.567472
  C      -8.589191      1.629730      0.259837
  C      -7.563007      1.660787      1.227609
  N      -7.712037      2.175320      2.439034
  C      -8.918289      2.713763      2.761543
  H      -3.611859     -2.165099      5.210251
  H      -4.477131     -1.111250      4.073034
  H      -1.490656     -1.782688      3.799995
  H      -2.771849     -2.698392      2.996816
  H      -1.624418     -0.829091      1.601852
  H      -2.477950      0.335301      2.647056
  H      -5.421499     -1.689111     -0.158709
  H      -6.331646     -0.402940     -2.083091
  H      -4.322849      3.703148     -2.067366
  H      -2.594408      4.822900     -0.608298
  H      -1.616990      3.524844      1.299772
  H      -3.126170      5.571035      4.708278
  H      -4.138011      4.819598      5.942194
  H      -5.751948      5.575641      4.473350
  H      -5.555263      3.920666      3.883506
  H      -3.692171      4.922884      2.320837
  H      -4.517393      6.490830      2.592778
  H      -6.800278      6.764108      3.230136
  H      -9.111832      7.522605      2.877903
  H     -10.619753      5.708188     -1.058923
  H      -9.555107      4.261967     -2.838782
  H      -7.189493      3.493478     -2.506410
  H      -6.623320      1.633228      7.962792
  H      -6.757732      1.513166      6.194444
  H      -6.201370      4.173493      6.380075
  H      -6.984101      3.982064      7.953424
  H      -8.624686      4.673902      6.279800
  H      -9.013562      2.995036      6.767069
  H     -10.597061      4.221818      5.340442
  H     -12.341865      4.244798      3.598363
  H     -10.636450      2.207789     -0.146319
  H      -8.390461      1.194638     -0.719656
  H      -6.577037      1.250215      0.996845
  N      -5.214996      1.550996      3.938248
  H      -6.102054      1.782803      3.444617
100
Coordinates from ORCA-job orca E -6429.526564827149
  N      -3.051758     -0.128705      5.250257
  Mo     -3.940945      1.652751      5.152622
  N      -4.874787      2.067267      6.864635
  C      -4.143303      2.624466      7.994926
  C      -2.785432      1.938210      8.088649
  N      -2.136589      1.961438      6.762680
  C      -1.215837      0.828994      6.543183
  C      -2.004407     -0.426261      6.220277
  C      -1.487365      3.257277      6.460931
  C      -1.689571      3.535120      4.968912
  N      -3.098498      3.473073      4.628614
  H      -1.301141     -1.188720      5.837723
  H      -2.450300     -0.858732      7.140438
  H      -0.591561      1.086322      5.675904
  H      -0.549181      0.675663      7.413276
  H      -1.257589      4.520698      4.707775
  H      -1.137420      2.779630      4.381762
  H      -1.990383      4.040358      7.045978
  H      -0.423197      3.242944      6.763377
  H      -4.698380      2.451648      8.936440
  H      -4.011773      3.723780      7.909578
  H      -2.943244      0.886882      8.368897
  H      -2.141686      2.406247      8.856703
  C      -3.491854     -1.313911      4.513027
  C      -2.510524     -1.701731      3.393254
  C      -2.490631     -0.688459      2.268103
  O      -3.696393     -0.915514      1.486781
  C      -4.085452     -0.129718      0.466864
  C      -5.061461     -0.678273     -0.362899
  C      -5.571757      0.057506     -1.441257
  N      -5.204634      1.294105     -1.756090
  C      -4.256201      1.859623     -0.956409
  C      -3.851666      3.190180     -1.231328
  C      -2.910668      3.795961     -0.432813
  C      -2.364634      3.064539      0.645524
  N      -2.703080      1.821812      0.941203
  C      -3.641211      1.205561      0.170055
  C      -3.815622      4.717243      4.883686
  C      -5.046791      4.888145      3.985414
  C      -4.641963      5.390600      2.605426
  O      -5.526219      5.011477      1.523032
  C      -6.747243      5.553112      1.433087
  C      -7.331500      6.424293      2.343875
  C      -8.656603      6.858896      2.132930
  N      -9.423242      6.522615      1.107629
  C      -8.848180      5.708750      0.171528
  C      -9.594208      5.345109     -0.976064
  C      -9.009074      4.556374     -1.942408
  C      -7.676501      4.124016     -1.756019
  N      -6.948014      4.421699     -0.691457
  C      -7.514606      5.198200      0.267778
  C      -6.324409      2.107722      7.008102
  C      -6.901090      3.542874      6.947683
  C      -8.258276      3.633813      6.277429
  O      -8.084128      3.188736      4.916184
  C      -9.128468      3.256501      4.073644
  C     -10.372282      3.798803      4.363949
  C     -11.367913      3.804060      3.363173
  N     -11.231507      3.307466      2.144374
  C     -10.016062      2.757706      1.847141
  C      -9.812186      2.183403      0.568054
  C      -8.590268      1.628454      0.260919
  C      -7.564288      1.658642      1.228932
  N      -7.713050      2.173681      2.440174
  C      -8.918802      2.713452      2.762290
  H      -3.609793     -2.166579      5.209212
  H      -4.476397     -1.112764      4.073052
  H      -1.489227     -1.780411      3.799310
  H      -2.769359     -2.696259      2.994626
  H      -1.622984     -0.822466      1.603293
  H      -2.480151      0.338233      2.649330
  H      -5.421520     -1.686924     -0.157751
  H      -6.332165     -0.401371     -2.082198
  H      -4.323000      3.704472     -2.068628
  H      -2.593318      4.824325     -0.611125
  H      -1.614059      3.526252      1.296043
  H      -3.127246      5.569991      4.708269
  H      -4.139038      4.818870      5.942406
  H      -5.752143      5.575679      4.472555
  H      -5.557067      3.919749      3.884855
  H      -3.693042      4.917784      2.320876
  H      -4.516061      6.487153      2.590974
  H      -6.798832      6.763803      3.228603
  H      -9.109527      7.524660      2.875818
  H     -10.619438      5.709463     -1.059943
  H      -9.556227      4.261258     -2.838980
  H      -7.191513      3.490350     -2.506123
  H      -6.623375      1.633776      7.964562
  H      -6.758311      1.512514      6.196390
  H      -6.201627      4.173226      6.380694
  H      -6.984569      3.982199      7.954018
  H      -8.624924      4.673684      6.280097
  H      -9.013931      2.995094      6.768154
  H     -10.596837      4.223254      5.340648
  H     -12.340845      4.248582      3.597790
  H     -10.636644      2.209059     -0.146038
  H      -8.391760      1.192856     -0.718392
  H      -6.578689      1.246923      0.998562
  N      -5.215672      1.550095      3.939274
  H      -6.102535      1.781731      3.445223
100
Coordinates from ORCA-job orca E -6429.526567322544
  N      -3.052527     -0.130631      5.252171
  Mo     -3.942392      1.650708      5.154126
  N      -4.875661      2.066980      6.866152
  C      -4.143347      2.624899      7.995538
  C      -2.785942      1.937685      8.089207
  N      -2.137106      1.960150      6.763203
  C      -1.216270      0.827692      6.544454
  C      -2.004565     -0.427787      6.221699
  C      -1.487959      3.255870      6.460609
  C      -1.691311      3.533206      4.968650
  N      -3.100553      3.470938      4.629778
  H      -1.301142     -1.189801      5.838535
  H      -2.449645     -0.860804      7.141979
  H      -0.591482      1.084903      5.677508
  H      -0.550017      0.674672      7.414926
  H      -1.259739      4.518761      4.706798
  H      -1.139606      2.777540      4.381293
  H      -1.990573      4.039187      7.045678
  H      -0.423635      3.241489      6.762448
  H      -4.698123      2.453265      8.937446
  H      -4.011116      3.724043      7.909164
  H      -2.944803      0.886501      8.369445
  H      -2.141684      2.405113      8.857222
  C      -3.489753     -1.315275      4.512554
  C      -2.507327     -1.698010      3.391801
  C      -2.489541     -0.681751      2.269276
  O      -3.692273     -0.912489      1.484634
  C      -4.083192     -0.126202      0.465964
  C      -5.060864     -0.674376     -0.362149
  C      -5.572182      0.061329     -1.440026
  N      -5.205017      1.297727     -1.755650
  C      -4.255286      1.862941     -0.957346
  C      -3.850780      3.193388     -1.232868
  C      -2.907886      3.798696     -0.436261
  C      -2.359647      3.066755      0.640655
  N      -2.698173      1.824233      0.937016
  C      -3.638562      1.208698      0.168065
  C      -3.817404      4.715302      4.884517
  C      -5.048457      4.886039      3.986142
  C      -4.642447      5.383216      2.604643
  O      -5.528123      5.004158      1.523452
  C      -6.747305      5.549834      1.432070
  C      -7.329067      6.424514      2.341084
  C      -8.653048      6.862157      2.129226
  N      -9.420572      6.525906      1.104587
  C      -8.847518      5.709146      0.169775
  C      -9.594223      5.345830     -0.977480
  C      -9.010732      4.554524     -1.942702
  C      -7.679191      4.119199     -1.755483
  N      -6.950327      4.416296     -0.691084
  C      -7.515282      5.195367      0.267072
  C      -6.325112      2.107581      7.010124
  C      -6.901891      3.542782      6.948741
  C      -8.259031      3.633502      6.278457
  O      -8.085295      3.187428      4.917477
  C      -9.129293      3.256643      4.074647
  C     -10.372295      3.801062      4.364406
  C     -11.367470      3.808068      3.363162
  N     -11.231505      3.311090      2.144500
  C     -10.017021      2.758820      1.847908
  C      -9.813896      2.183542      0.569168
  C      -8.593029      1.625955      0.262707
  C      -7.567256      1.654667      1.230998
  N      -7.715328      2.170748      2.441872
  C      -8.920155      2.712857      2.763466
  H      -3.605496     -2.169733      5.206900
  H      -4.474896     -1.116036      4.072938
  H      -1.486087     -1.775234      3.798284
  H      -2.763524     -2.692106      2.990453
  H      -1.619573     -0.809598      1.606338
  H      -2.484453      0.344003      2.653310
  H      -5.421458     -1.682652     -0.156093
  H      -6.333599     -0.397423     -2.079860
  H      -4.323643      3.707957     -2.069142
  H      -2.590747      4.827061     -0.614925
  H      -1.607079      3.527773      1.289379
  H      -3.129056      5.567993      4.708755
  H      -4.140746      4.817289      5.943201
  H      -5.752254      5.576489      4.471424
  H      -5.560768      3.918420      3.888642
  H      -3.695177      4.906263      2.321467
  H      -4.512487      6.479259      2.587132
  H      -6.795568      6.764364      3.225158
  H      -9.104326      7.530423      2.870873
  H     -10.618512      5.712646     -1.062165
  H      -9.558251      4.259872     -2.839198
  H      -7.195660      3.483580     -2.504883
  H      -6.623870      1.634661      7.967177
  H      -6.759550      1.511517      6.199314
  H      -6.202215      4.173112      6.382050
  H      -6.985869      3.982060      7.955072
  H      -8.625372      4.673476      6.280651
  H      -9.014750      2.995285      6.769736
  H     -10.596705      4.225607      5.341088
  H     -12.339644      4.254516      3.597267
  H     -10.638023      2.210679     -0.145256
  H      -8.395035      1.189389     -0.716282
  H      -6.582435      1.240671      1.001305
  N      -5.216935      1.548315      3.940736
  H      -6.103113      1.779757      3.445497
100
Coordinates from ORCA-job orca E -6429.526567781751
  N      -3.052702     -0.131402      5.253306
  Mo     -3.942971      1.649918      5.154981
  N      -4.876172      2.066198      6.867098
  C      -4.143569      2.624198      7.996210
  C      -2.786051      1.937156      8.089584
  N      -2.137273      1.959716      6.763512
  C      -1.216257      0.827434      6.544866
  C      -2.004240     -0.428317      6.222306
  C      -1.488337      3.255531      6.460867
  C      -1.692338      3.532940      4.969009
  N      -3.101759      3.470405      4.630949
  H      -1.300559     -1.189845      5.838613
  H      -2.448599     -0.861886      7.142674
  H      -0.591610      1.084602      5.677798
  H      -0.549797      0.674746      7.415242
  H      -1.261155      4.518619      4.706998
  H      -1.140785      2.777421      4.381322
  H      -1.990854      4.038781      7.046113
  H      -0.423947      3.241165      6.762457
  H      -4.698011      2.452560      8.938321
  H      -4.011358      3.723358      7.909822
  H      -2.944527      0.885942      8.369928
  H      -2.141823      2.404832      8.857487
  C      -3.488777     -1.315691      4.512598
  C      -2.506150     -1.696082      3.391144
  C      -2.489449     -0.678555      2.269741
  O      -3.691224     -0.910506      1.484079
  C      -4.082589     -0.124385      0.465487
  C      -5.060730     -0.672703     -0.361995
  C      -5.572231      0.062602     -1.440045
  N      -5.204945      1.298774     -1.756390
  C      -4.254854      1.864161     -0.958674
  C      -3.850207      3.194427     -1.234908
  C      -2.906784      3.799873     -0.439057
  C      -2.358081      3.068212      0.637832
  N      -2.696751      1.825904      0.934891
  C      -3.637772      1.210299      0.166757
  C      -3.818691      4.714743      4.885605
  C      -5.049569      4.885281      3.987019
  C      -4.642726      5.379134      2.604605
  O      -5.529103      5.000178      1.524031
  C      -6.747260      5.547953      1.431678
  C      -7.327830      6.424459      2.339680
  C      -8.651169      6.863761      2.127172
  N      -9.419015      6.527579      1.102751
  C      -8.846874      5.709332      0.168673
  C      -9.593796      5.346263     -0.978518
  C      -9.011026      4.553727     -1.943168
  C      -7.680039      4.116901     -1.755406
  N      -6.951138      4.413505     -0.690909
  C      -7.515372      5.193809      0.266673
  C      -6.325549      2.107144      7.011087
  C      -6.902206      3.542458      6.949683
  C      -8.259119      3.633469      6.278974
  O      -8.085454      3.187027      4.918097
  C      -9.129331      3.256952      4.075168
  C     -10.371884      3.802470      4.364779
  C     -11.367031      3.810154      3.363513
  N     -11.231494      3.312825      2.144959
  C     -10.017474      2.759445      1.848505
  C      -9.814898      2.183707      0.569895
  C      -8.594580      1.624890      0.263569
  C      -7.568795      1.652795      1.231869
  N      -7.716337      2.169371      2.442596
  C      -8.920641      2.712713      2.764084
  H      -3.603152     -2.171121      5.205988
  H      -4.474386     -1.117411      4.073577
  H      -1.484833     -1.772413      3.797616
  H      -2.761066     -2.690031      2.988666
  H      -1.618745     -0.804134      1.607352
  H      -2.486237      0.346817      2.654861
  H      -5.421576     -1.680753     -0.155284
  H      -6.333915     -0.396330     -2.079439
  H      -4.323374      3.708712     -2.071187
  H      -2.589612      4.828132     -0.618287
  H      -1.604985      3.529232      1.285944
  H      -3.130369      5.567496      4.710100
  H      -4.142308      4.816558      5.944218
  H      -5.752703      5.577304      4.471025
  H      -5.562839      3.917974      3.891359
  H      -3.696518      4.899424      2.322485
  H      -4.510163      6.474841      2.585169
  H      -6.793969      6.764553      3.223432
  H      -9.101665      7.533329      2.868119
  H     -10.617607      5.714291     -1.063662
  H      -9.558626      4.259288     -2.839685
  H      -7.197110      3.480422     -2.504470
  H      -6.624454      1.634448      7.968218
  H      -6.760205      1.511040      6.200424
  H      -6.202197      4.173116      6.383797
  H      -6.986882      3.981220      7.956195
  H      -8.625000      4.673605      6.280950
  H      -9.015177      2.995674      6.770272
  H     -10.596059      4.227266      5.341404
  H     -12.338829      4.257462      3.597548
  H     -10.638984      2.211492     -0.144549
  H      -8.396943      1.187969     -0.715334
  H      -6.584423      1.237607      1.002384
  N      -5.217369      1.547678      3.941543
  H      -6.102913      1.778929      3.445158
100
Coordinates from ORCA-job orca E -6429.526568486139
  N      -3.052924     -0.132200      5.255036
  Mo     -3.943717      1.649138      5.156013
  N      -4.876551      2.064706      6.868609
  C      -4.143333      2.622809      7.997140
  C      -2.785187      1.936841      8.089500
  N      -2.137023      1.959731      6.763013
  C      -1.215704      0.827801      6.544149
  C      -2.003272     -0.428558      6.222742
  C      -1.488514      3.255724      6.460293
  C      -1.694180      3.533479      4.968718
  N      -3.104026      3.470517      4.632619
  H      -1.299262     -1.189336      5.838106
  H      -2.446047     -0.862778      7.143566
  H      -0.592140      1.084629      5.676179
  H      -0.548112      0.676058      7.413820
  H      -1.263743      4.519411      4.706440
  H      -1.143114      2.778309      4.380133
  H      -1.990592      4.038799      7.046162
  H      -0.423900      3.241272      6.761049
  H      -4.696750      2.450658      8.939782
  H      -4.011681      3.722104      7.911051
  H      -2.941941      0.885548      8.370483
  H      -2.141067      2.405746      8.856757
  C      -3.488163     -1.316089      4.513398
  C      -2.505940     -1.694321      3.390785
  C      -2.490496     -0.675781      2.270286
  O      -3.691978     -0.908397      1.484458
  C      -4.083195     -0.122803      0.465430
  C      -5.061494     -0.671302     -0.361748
  C      -5.572619      0.063517     -1.440313
  N      -5.204796      1.299300     -1.757501
  C      -4.254577      1.864874     -0.960119
  C      -3.849186      3.194742     -1.237261
  C      -2.905576      3.800313     -0.441742
  C      -2.357470      3.069210      0.635852
  N      -2.696806      1.827290      0.933769
  C      -3.637948      1.211566      0.165853
  C      -3.821096      4.714648      4.887891
  C      -5.051630      4.885314      3.989014
  C      -4.643352      5.374325      2.605354
  O      -5.530384      4.995593      1.525365
  C      -6.747251      5.545765      1.431254
  C      -7.326964      6.424335      2.337789
  C      -8.649413      6.865634      2.123829
  N      -9.417078      6.529592      1.099211
  C      -8.845454      5.709675      0.166266
  C      -9.591971      5.347039     -0.981329
  C      -9.009430      4.553363     -1.945202
  C      -7.679160      4.114918     -1.756187
  N      -6.950845      4.410712     -0.691054
  C      -7.514842      5.192153      0.265724
  C      -6.325811      2.106252      7.012722
  C      -6.902434      3.541645      6.951460
  C      -8.258917      3.632962      6.279899
  O      -8.085124      3.186396      4.919035
  C      -9.129008      3.256821      4.076115
  C     -10.371417      3.802472      4.366182
  C     -11.366970      3.810379      3.365347
  N     -11.231961      3.313223      2.146675
  C     -10.018016      2.759981      1.849632
  C      -9.816077      2.184629      0.570742
  C      -8.595961      1.625838      0.263690
  C      -7.569796      1.653221      1.231594
  N      -7.716691      2.169451      2.442550
  C      -8.920776      2.712938      2.764761
  H      -3.600474     -2.172622      5.205808
  H      -4.474614     -1.118961      4.075756
  H      -1.484350     -1.769652      3.796786
  H      -2.759748     -2.688173      2.987435
  H      -1.619519     -0.799859      1.607982
  H      -2.488375      0.349343      2.656168
  H      -5.422772     -1.679057     -0.154352
  H      -6.334433     -0.395548     -2.079463
  H      -4.321903      3.708545     -2.074105
  H      -2.587828      4.828248     -0.621818
  H      -1.604361      3.530335      1.283882
  H      -3.132719      5.567572      4.713609
  H      -4.145405      4.815385      5.946393
  H      -5.753776      5.579579      4.471239
  H      -5.566287      3.918476      3.895984
  H      -3.698731      4.890388      2.325080
  H      -4.506922      6.469515      2.583139
  H      -6.793091      6.764789      3.221386
  H      -9.099385      7.536690      2.863746
  H     -10.615220      5.716392     -1.067452
  H      -9.556570      4.259306     -2.842129
  H      -7.196242      3.477975     -2.504870
  H      -6.624811      1.633744      7.969929
  H      -6.760757      1.510190      6.202192
  H      -6.202006      4.173092      6.386999
  H      -6.988459      3.979561      7.958246
  H      -8.624283      4.673281      6.281659
  H      -9.015457      2.995584      6.770978
  H     -10.595325      4.227084      5.342946
  H     -12.338691      4.257565      3.599952
  H     -10.640534      2.212570     -0.143264
  H      -8.398715      1.189314     -0.715473
  H      -6.585686      1.237705      1.001637
  N      -5.218484      1.547343      3.943194
  H      -6.102047      1.778639      3.443464
100
Coordinates from ORCA-job orca E -6429.526569431362
  N      -3.053106     -0.132244      5.255508
  Mo     -3.943804      1.649176      5.156242
  N      -4.876511      2.063925      6.869135
  C      -4.143231      2.621824      7.997663
  C      -2.784667      1.936622      8.089534
  N      -2.136873      1.959892      6.762826
  C      -1.215509      0.828089      6.543524
  C      -2.003089     -0.428458      6.222773
  C      -1.488555      3.256009      6.460347
  C      -1.694744      3.534200      4.968919
  N      -3.104689      3.471074      4.633349
  H      -1.299086     -1.189162      5.837973
  H      -2.445419     -0.862608      7.143845
  H      -0.592769      1.084745      5.674900
  H      -0.547145      0.676700      7.412660
  H      -1.264544      4.520276      4.706789
  H      -1.143745      2.779304      4.379919
  H      -1.990520      4.038883      7.046585
  H      -0.423853      3.241529      6.760795
  H      -4.696250      2.449047      8.940441
  H      -4.012067      3.721236      7.912063
  H      -2.940315      0.885260      8.370838
  H      -2.140717      2.406281      8.856472
  C      -3.488357     -1.315989      4.513643
  C      -2.506329     -1.693995      3.390828
  C      -2.491022     -0.675486      2.270296
  O      -3.692912     -0.907748      1.484947
  C      -4.083741     -0.122510      0.465463
  C      -5.061703     -0.671289     -0.361916
  C      -5.572488      0.063241     -1.440852
  N      -5.204473      1.298881     -1.758338
  C      -4.254474      1.864695     -0.960865
  C      -3.848719      3.194350     -1.238481
  C      -2.905410      3.800161     -0.442785
  C      -2.358106      3.069569      0.635560
  N      -2.697764      1.827837      0.933911
  C      -3.638437      1.211793      0.165655
  C      -3.821959      4.715008      4.888863
  C      -5.052323      4.885775      3.989780
  C      -4.643488      5.373512      2.605843
  O      -5.530480      4.994895      1.525790
  C      -6.747177      5.545225      1.431212
  C      -7.327065      6.424031      2.337410
  C      -8.649295      6.865695      2.122910
  N      -9.416665      6.529756      1.098028
  C      -8.844870      5.709582      0.165407
  C      -9.591040      5.347019     -0.982437
  C      -9.008310      4.553213     -1.946097
  C      -7.678191      4.114582     -1.756625
  N      -6.950224      4.410211     -0.691177
  C      -7.514417      5.191736      0.265383
  C      -6.325783      2.105773      7.013214
  C      -6.902247      3.541214      6.952108
  C      -8.258526      3.632872      6.280136
  O      -8.084733      3.186116      4.919320
  C      -9.128664      3.256745      4.076460
  C     -10.370997      3.802434      4.366843
  C     -11.366885      3.810269      3.366366
  N     -11.232230      3.313074      2.147667
  C     -10.018283      2.760084      1.850211
  C      -9.816711      2.184941      0.571158
  C      -8.596596      1.626466      0.263560
  C      -7.570107      1.653876      1.231113
  N      -7.716658      2.169767      2.442256
  C      -8.920716      2.713071      2.764972
  H      -3.600221     -2.172787      5.205820
  H      -4.475015     -1.118887      4.076485
  H      -1.484635     -1.769174      3.796603
  H      -2.760046     -2.687883      2.987503
  H      -1.620321     -0.799886      1.607695
  H      -2.488583      0.349657      2.656117
  H      -5.422911     -1.679045     -0.154412
  H      -6.334168     -0.395963     -2.080063
  H      -4.320880      3.707763     -2.075882
  H      -2.587208      4.827869     -0.623365
  H      -1.605434      3.531024      1.283861
  H      -3.133586      5.568064      4.715300
  H      -4.146770      4.815179      5.947273
  H      -5.754163      5.580684      4.471525
  H      -5.567399      3.919073      3.897414
  H      -3.699278      4.888408      2.326186
  H      -4.506128      6.468572      2.582941
  H      -6.793375      6.764520      3.221107
  H      -9.099330      7.536992      2.862568
  H     -10.614205      5.716530     -1.068887
  H      -9.555219      4.259119     -2.843158
  H      -7.194941      3.477685     -2.505128
  H      -6.624831      1.633147      7.970344
  H      -6.760734      1.509919      6.202535
  H      -6.201622      4.172846      6.388093
  H      -6.988651      3.978976      7.958932
  H      -8.623479      4.673339      6.281601
  H      -9.015438      2.995898      6.771161
  H     -10.594600      4.227203      5.343611
  H     -12.338583      4.257306      3.601343
  H     -10.641489      2.212695     -0.142479
  H      -8.399632      1.190170     -0.715761
  H      -6.586009      1.238644      1.000632
  N      -5.218637      1.547604      3.943529
  H      -6.101531      1.778822      3.442610
100
Coordinates from ORCA-job orca E -6429.526569661767
  N      -3.054135     -0.132380      5.256228
  Mo     -3.944137      1.649343      5.156474
  N      -4.876172      2.062869      6.870074
  C      -4.142660      2.620525      7.998470
  C      -2.783399      1.936551      8.089418
  N      -2.136568      1.960120      6.762160
  C      -1.215474      0.828271      6.541898
  C      -2.003605     -0.428398      6.222880
  C      -1.488342      3.256273      6.459871
  C      -1.695623      3.535256      4.968730
  N      -3.105753      3.472071      4.634209
  H      -1.300052     -1.189585      5.838240
  H      -2.445470     -0.861599      7.144620
  H      -0.594570      1.084339      5.671767
  H      -0.545446      0.677470      7.409847
  H      -1.265653      4.521501      4.706835
  H      -1.144884      2.780764      4.378961
  H      -1.989863      4.038903      7.046821
  H      -0.423415      3.241576      6.759518
  H      -4.694948      2.446761      8.941522
  H      -4.012350      3.720128      7.913609
  H      -2.937225      0.885171      8.371571
  H      -2.139517      2.407614      8.855540
  C      -3.489386     -1.315822      4.513800
  C      -2.507431     -1.693534      3.390943
  C      -2.492078     -0.675038      2.270393
  O      -3.694519     -0.906761      1.485634
  C      -4.084723     -0.121901      0.465591
  C      -5.062170     -0.670922     -0.362220
  C      -5.572369      0.063395     -1.441603
  N      -5.203894      1.298815     -1.759363
  C      -4.254190      1.864785     -0.961634
  C      -3.847633      3.194051     -1.239855
  C      -2.904765      3.800009     -0.443733
  C      -2.358989      3.070051      0.635817
  N      -2.699363      1.828646      0.934716
  C      -3.639245      1.212301      0.165701
  C      -3.823174      4.715693      4.890336
  C      -5.053304      4.886970      3.991014
  C      -4.643516      5.372909      2.606730
  O      -5.530187      4.994352      1.526334
  C      -6.746920      5.544265      1.431108
  C      -7.327647      6.422985      2.336872
  C      -8.649652      6.864772      2.121368
  N      -9.416248      6.528935      1.095855
  C      -8.843751      5.708631      0.163774
  C      -9.589035      5.346021     -0.984638
  C      -9.005604      4.552260     -1.947931
  C      -7.675648      4.113683     -1.757519
  N      -6.948504      4.409297     -0.691446
  C      -7.513376      5.190740      0.264718
  C      -6.325489      2.105085      7.014296
  C      -6.901747      3.540518      6.953071
  C      -8.257870      3.632562      6.280781
  O      -8.084362      3.185150      4.920111
  C      -9.128372      3.256208      4.077357
  C     -10.370656      3.801743      4.368381
  C     -11.367130      3.809503      3.368529
  N     -11.233015      3.312477      2.149694
  C     -10.018973      2.760195      1.851404
  C      -9.817982      2.185627      0.571976
  C      -8.597721      1.628121      0.263242
  C      -7.570576      1.655855      1.230089
  N      -7.716637      2.170788      2.441684
  C      -8.920807      2.713283      2.765491
  H      -3.600923     -2.173006      5.205584
  H      -4.476185     -1.118388      4.077143
  H      -1.485643     -1.768816      3.796477
  H      -2.761155     -2.687419      2.987572
  H      -1.621738     -0.799831      1.607417
  H      -2.489369      0.350102      2.656253
  H      -5.423221     -1.678752     -0.154807
  H      -6.333932     -0.395818     -2.080947
  H      -4.318784      3.707016     -2.078108
  H      -2.585523      4.827266     -0.625026
  H      -1.607083      3.531959      1.284688
  H      -3.134777      5.568956      4.718027
  H      -4.148784      4.814880      5.948616
  H      -5.754249      5.583161      4.472222
  H      -5.569415      3.920716      3.899651
  H      -3.699808      4.886291      2.328046
  H      -4.505138      6.467814      2.582890
  H      -6.794543      6.763442      3.220935
  H      -9.100127      7.536184      2.860651
  H     -10.612145      5.715544     -1.071788
  H      -9.551928      4.258037     -2.845317
  H      -7.191439      3.477002     -2.505582
  H      -6.624361      1.632415      7.971442
  H      -6.760428      1.509355      6.203521
  H      -6.201000      4.172102      6.389127
  H      -6.988279      3.978654      7.959722
  H      -8.622123      4.673278      6.281497
  H      -9.015314      2.996430      6.772071
  H     -10.593757      4.226620      5.345217
  H     -12.338856      4.256097      3.604228
  H     -10.643426      2.212874     -0.140909
  H      -8.401235      1.192348     -0.716407
  H      -6.586329      1.241696      0.998405
  N      -5.219079      1.548288      3.943884
  H      -6.100823      1.779391      3.440967
100
Coordinates from ORCA-job orca E -6429.526569745554
  N      -3.055252     -0.132500      5.256488
  Mo     -3.944516      1.649529      5.156701
  N      -4.875874      2.062517      6.870800
  C      -4.142153      2.620045      7.999085
  C      -2.782616      1.936489      8.089464
  N      -2.136476      1.960056      6.761834
  C      -1.215779      0.828015      6.540840
  C      -2.004551     -0.428530      6.222936
  C      -1.488168      3.256155      6.459575
  C      -1.696066      3.535682      4.968622
  N      -3.106282      3.472553      4.634603
  H      -1.301535     -1.190365      5.838635
  H      -2.446416     -0.860770      7.145126
  H      -0.596027      1.083709      5.669767
  H      -0.544718      0.677350      7.408014
  H      -1.266151      4.522015      4.706951
  H      -1.145455      2.781456      4.378376
  H      -1.989383      4.038668      7.046950
  H      -0.423096      3.241269      6.758708
  H      -4.694095      2.445834      8.942267
  H      -4.012198      3.719725      7.914556
  H      -2.935750      0.885150      8.372100
  H      -2.138550      2.408133      8.855066
  C      -3.490423     -1.315710      4.513582
  C      -2.508346     -1.693108      3.390791
  C      -2.492847     -0.674356      2.270469
  O      -3.695480     -0.905665      1.485813
  C      -4.085108     -0.120991      0.465398
  C      -5.062229     -0.670061     -0.362761
  C      -5.571879      0.064148     -1.442484
  N      -5.202995      1.299412     -1.760372
  C      -4.253526      1.865391     -0.962356
  C      -3.846457      3.194438     -1.240843
  C      -2.903923      3.800438     -0.444352
  C      -2.359133      3.070782      0.635903
  N      -2.699967      1.829568      0.935041
  C      -3.639353      1.213102      0.165504
  C      -3.823739      4.716016      4.891042
  C      -5.053751      4.887720      3.991575
  C      -4.643411      5.372915      2.607183
  O      -5.529737      4.994239      1.526472
  C      -6.746642      5.543678      1.431031
  C      -7.327873      6.422300      2.336579
  C      -8.649841      6.863940      2.120602
  N      -9.416040      6.528020      1.094817
  C      -8.843152      5.707639      0.163045
  C      -9.588003      5.344788     -0.985570
  C      -9.004240      4.550885     -1.948544
  C      -7.674355      4.112366     -1.757610
  N      -6.947579      4.408266     -0.691342
  C      -7.512764      5.189869      0.264483
  C      -6.325232      2.104838      7.015207
  C      -6.901373      3.540240      6.953469
  C      -8.257512      3.632380      6.281196
  O      -8.084321      3.184245      4.920709
  C      -9.128286      3.255803      4.077937
  C     -10.370379      3.801719      4.369108
  C     -11.367025      3.809729      3.369444
  N     -11.233241      3.312592      2.150613
  C     -10.019345      2.760132      1.852107
  C      -9.818745      2.185525      0.572624
  C      -8.598580      1.628020      0.263515
  C      -7.571127      1.655895      1.230033
  N      -7.716872      2.170630      2.441738
  C      -8.920974      2.713055      2.765954
  H      -3.602045     -2.173091      5.205101
  H      -4.477159     -1.117925      4.076961
  H      -1.486579     -1.768705      3.796314
  H      -2.762135     -2.686884      2.987157
  H      -1.622643     -0.799111      1.607329
  H      -2.490100      0.350664      2.656662
  H      -5.423337     -1.677885     -0.155421
  H      -6.333334     -0.395013     -2.081994
  H      -4.316945      3.707199     -2.079598
  H      -2.584073      4.827456     -0.625925
  H      -1.607689      3.532905      1.285159
  H      -3.135378      5.569419      4.719298
  H      -4.149719      4.814790      5.949259
  H      -5.753965      5.584782      4.472608
  H      -5.570693      3.921864      3.900641
  H      -3.699781      4.885880      2.328990
  H      -4.504883      6.467789      2.582961
  H      -6.795099      6.762758      3.220837
  H      -9.100594      7.535384      2.859685
  H     -10.611095      5.714277     -1.073120
  H      -9.550318      4.256435     -2.846007
  H      -7.189729      3.475485     -2.505229
  H      -6.623894      1.632401      7.972518
  H      -6.760178      1.508909      6.204582
  H      -6.200613      4.171439      6.389099
  H      -6.987646      3.979040      7.959853
  H      -8.621334      4.673248      6.281300
  H      -9.015221      2.996869      6.772880
  H     -10.593178      4.226789      5.345931
  H     -12.338605      4.256547      3.605315
  H     -10.644463      2.212707     -0.139946
  H      -8.402445      1.192167     -0.716169
  H      -6.586860      1.242076      0.997828
  N      -5.219409      1.548808      3.944049
  H      -6.100786      1.779643      3.440379
100
Coordinates from ORCA-job orca E -6429.526570874302
  N      -3.058004     -0.132798      5.256784
  Mo     -3.945516      1.650000      5.157235
  N      -4.875112      2.062486      6.872391
  C      -4.140695      2.619993      8.000192
  C      -2.780892      1.936656      8.089431
  N      -2.136246      1.959763      6.761005
  C      -1.216654      0.827079      6.538607
  C      -2.007063     -0.428972      6.222970
  C      -1.487495      3.255562      6.458461
  C      -1.696719      3.536013      4.967871
  N      -3.107152      3.473209      4.634973
  H      -1.305412     -1.192468      5.839553
  H      -2.449148     -0.858946      7.146114
  H      -0.599008      1.081942      5.665775
  H      -0.543671      0.676418      7.404296
  H      -1.266830      4.522455      4.706543
  H      -1.146520      2.782222      4.376653
  H      -1.987904      4.038039      7.046581
  H      -0.422119      3.240112      6.756490
  H      -4.691992      2.445408      8.943695
  H      -4.011054      3.719731      7.915869
  H      -2.933401      0.885499      8.373005
  H      -2.136059      2.408995      8.853934
  C      -3.493020     -1.315530      4.512963
  C      -2.510710     -1.692273      3.390232
  C      -2.494867     -0.672678      2.270681
  O      -3.697732     -0.903093      1.486013
  C      -4.086045     -0.118638      0.464939
  C      -5.062670     -0.667471     -0.363964
  C      -5.570968      0.066716     -1.444347
  N      -5.201018      1.301643     -1.762324
  C      -4.251994      1.867355     -0.963566
  C      -3.843843      3.196037     -1.242194
  C      -2.901931      3.801850     -0.444815
  C      -2.358984      3.072392      0.636523
  N      -2.700806      1.831495      0.935782
  C      -3.639416      1.215151      0.165192
  C      -3.824409      4.716491      4.892192
  C      -5.054285      4.889283      3.992618
  C      -4.643028      5.373353      2.608070
  O      -5.528519      4.994107      1.526732
  C      -6.745909      5.542402      1.430887
  C      -7.328230      6.420770      2.335995
  C      -8.650315      6.861632      2.119182
  N      -9.415725      6.525212      1.092980
  C      -8.841922      5.704821      0.161782
  C      -9.585877      5.341301     -0.987198
  C      -9.001284      4.547212     -1.949512
  C      -7.671442      4.109039     -1.757518
  N      -6.945425      4.405752     -0.690944
  C      -7.511365      5.187675      0.264160
  C      -6.324519      2.104808      7.017355
  C      -6.900668      3.540053      6.953938
  C      -8.257082      3.631804      6.282148
  O      -8.084620      3.182251      4.922005
  C      -9.128457      3.254765      4.079147
  C     -10.370266      3.801265      4.370480
  C     -11.367005      3.809974      3.370919
  N     -11.233624      3.312845      2.152041
  C     -10.020001      2.759926      1.853309
  C      -9.819967      2.185156      0.573800
  C      -8.600013      1.627434      0.264255
  C      -7.572118      1.655579      1.230300
  N      -7.717425      2.170166      2.442101
  C      -8.921425      2.712460      2.766912
  H      -3.605036     -2.173208      5.204023
  H      -4.479542     -1.117056      4.076178
  H      -1.489037     -1.768793      3.795814
  H      -2.764794     -2.685674      2.985813
  H      -1.624832     -0.797021      1.607281
  H      -2.492075      0.351988      2.657872
  H      -5.424315     -1.675134     -0.156774
  H      -6.332183     -0.392165     -2.084345
  H      -4.313032      3.708686     -2.081751
  H      -2.581029      4.828520     -0.626490
  H      -1.608255      3.534587      1.286564
  H      -3.136114      5.570120      4.721251
  H      -4.150742      4.814639      5.950372
  H      -5.752850      5.588125      4.473526
  H      -5.573082      3.924365      3.902386
  H      -3.699262      4.886102      2.330764
  H      -4.504692      6.468235      2.583219
  H      -6.796170      6.761428      3.220590
  H      -9.101803      7.533003      2.857887
  H     -10.608997      5.710528     -1.075589
  H      -9.546771      4.252328     -2.847194
  H      -7.186028      3.471701     -2.504242
  H      -6.622609      1.633344      7.975301
  H      -6.759568      1.507912      6.207493
  H      -6.200117      4.170201      6.388130
  H      -6.986085      3.980602      7.959633
  H      -8.620508      4.672812      6.281228
  H      -9.014885      2.997171      6.774817
  H     -10.592784      4.226255      5.347401
  H     -12.338329      4.257264      3.606944
  H     -10.646023      2.212411     -0.138382
  H      -8.404410      1.191278     -0.715400
  H      -6.587802      1.242243      0.997398
  N      -5.220343      1.550091      3.944524
  H      -6.101130      1.780354      3.439577
100
Coordinates from ORCA-job orca E -6429.526572581412
  N      -3.059776     -0.132997      5.256752
  Mo     -3.946224      1.650328      5.157691
  N      -4.874741      2.062756      6.873411
  C      -4.139880      2.620318      8.000900
  C      -2.780129      1.936715      8.089575
  N      -2.136241      1.959447      6.760766
  C      -1.217416      0.826284      6.537625
  C      -2.008871     -0.429337      6.222998
  C      -1.487115      3.255009      6.457994
  C      -1.696909      3.535901      4.967574
  N      -3.107441      3.473335      4.635121
  H      -1.308064     -1.193901      5.840208
  H      -2.451289     -0.857985      7.146602
  H      -0.600650      1.080749      5.664046
  H      -0.543583      0.675342      7.402612
  H      -1.267029      4.522412      4.706476
  H      -1.146903      2.782363      4.375840
  H      -1.987104      4.037553      7.046390
  H      -0.421620      3.239177      6.755572
  H      -4.690933      2.445811      8.944555
  H      -4.010138      3.720025      7.916447
  H      -2.932807      0.885682      8.373489
  H      -2.134707      2.409035      8.853581
  C      -3.494494     -1.315424      4.512328
  C      -2.511923     -1.691564      3.389605
  C      -2.495958     -0.671264      2.270700
  O      -3.698824     -0.901192      1.485858
  C      -4.086269     -0.116879      0.464352
  C      -5.062646     -0.665510     -0.364974
  C      -5.570102      0.068680     -1.445754
  N      -5.199567      1.303437     -1.763720
  C      -4.250818      1.868951     -0.964496
  C      -3.842193      3.197517     -1.243011
  C      -2.900596      3.803170     -0.445147
  C      -2.358394      3.073639      0.636529
  N      -2.700658      1.832854      0.935690
  C      -3.639028      1.216706      0.164655
  C      -3.824530      4.716584      4.892691
  C      -5.054373      4.890002      3.993109
  C      -4.642746      5.373502      2.608452
  O      -5.527840      4.993770      1.526917
  C      -6.745441      5.541638      1.430891
  C      -7.327999      6.420219      2.335637
  C      -8.650161      6.860721      2.118516
  N      -9.415374      6.523844      1.092332
  C      -8.841352      5.703186      0.161502
  C      -9.585071      5.339191     -0.987476
  C      -9.000299      4.544660     -1.949305
  C      -7.670534      4.106434     -1.756795
  N      -6.944704      4.403711     -0.690265
  C      -7.510774      5.186200      0.264309
  C      -6.324150      2.105065      7.018688
  C      -6.900347      3.540220      6.953907
  C      -8.256982      3.631493      6.282515
  O      -8.084922      3.181114      4.922583
  C      -9.128628      3.254263      4.079630
  C     -10.370129      3.801524      4.370798
  C     -11.366730      3.810854      3.371093
  N     -11.233575      3.313493      2.152294
  C     -10.020319      2.759659      1.853764
  C      -9.820630      2.184337      0.574454
  C      -8.601040      1.625720      0.265098
  C      -7.573064      1.653761      1.231059
  N      -7.718073      2.168871      2.442669
  C      -8.921809      2.711757      2.767425
  H      -3.606779     -2.173308      5.203065
  H      -4.480860     -1.116755      4.075258
  H      -1.490359     -1.768501      3.795379
  H      -2.766016     -2.684709      2.984553
  H      -1.625925     -0.795099      1.607218
  H      -2.493202      0.353122      2.658649
  H      -5.424817     -1.672987     -0.157784
  H      -6.331098     -0.390056     -2.086115
  H      -4.310787      3.710208     -2.082879
  H      -2.579392      4.829780     -0.626620
  H      -1.607854      3.535684      1.286897
  H      -3.136298      5.570316      4.721918
  H      -4.150856      4.814609      5.950885
  H      -5.751986      5.589858      4.473971
  H      -5.574297      3.925654      3.903208
  H      -3.698810      4.886349      2.331574
  H      -4.504608      6.468399      2.583224
  H      -6.796127      6.761202      3.220212
  H      -9.101859      7.532267      2.856937
  H     -10.608158      5.708414     -1.076278
  H      -9.545620      4.249487     -2.846990
  H      -7.185084      3.468494     -2.502980
  H      -6.621973      1.634524      7.977164
  H      -6.759333      1.507278      6.209547
  H      -6.199930      4.169599      6.387101
  H      -6.985199      3.981883      7.959162
  H      -8.620428      4.672490      6.281139
  H      -9.014637      2.997152      6.775785
  H     -10.592565      4.226504      5.347740
  H     -12.337746      4.258917      3.606920
  H     -10.646655      2.211962     -0.137751
  H      -8.405763      1.188963     -0.714356
  H      -6.588908      1.239966      0.998231
  N      -5.220734      1.550911      3.944676
  H      -6.101536      1.780621      3.439500
100
Coordinates from ORCA-job orca E -6429.526574574369
  N      -3.062353     -0.133167      5.256509
  Mo     -3.947366      1.650963      5.158530
  N      -4.874146      2.063543      6.875088
  C      -4.138438      2.621372      8.001918
  C      -2.778924      1.937067      8.089738
  N      -2.136134      1.959098      6.760373
  C      -1.218525      0.825145      6.536302
  C      -2.011528     -0.429761      6.222891
  C      -1.486339      3.254208      6.457052
  C      -1.696920      3.535456      4.966826
  N      -3.107630      3.473330      4.635072
  H      -1.311933     -1.195847      5.840974
  H      -2.454415     -0.856619      7.147110
  H      -0.602636      1.079054      5.661929
  H      -0.543731      0.673577      7.400449
  H      -1.267077      4.522037      4.705914
  H      -1.147306      2.782179      4.374392
  H      -1.985643      4.037040      7.045654
  H      -0.420708      3.237709      6.754091
  H      -4.689077      2.447382      8.945898
  H      -4.008292      3.720973      7.916892
  H      -2.932253      0.886227      8.373995
  H      -2.132458      2.409013      8.853079
  C      -3.496837     -1.315214      4.511548
  C      -2.514129     -1.690807      3.388686
  C      -2.497985     -0.669535      2.270684
  O      -3.701132     -0.898380      1.485946
  C      -4.087065     -0.114360      0.463651
  C      -5.063095     -0.662593     -0.366338
  C      -5.569135      0.071634     -1.447765
  N      -5.197650      1.306123     -1.765657
  C      -4.249339      1.871278     -0.965669
  C      -3.840047      3.199734     -1.243790
  C      -2.898934      3.805061     -0.445119
  C      -2.357698      3.075233      0.636858
  N      -2.700604      1.834552      0.935677
  C      -3.638748      1.218869      0.164015
  C      -3.824303      4.716654      4.893236
  C      -5.054151      4.891033      3.993785
  C      -4.642291      5.373989      2.608967
  O      -5.526828      4.993314      1.527315
  C      -6.744748      5.540562      1.430960
  C      -7.327717      6.419300      2.335271
  C      -8.650131      6.858964      2.117837
  N      -9.415050      6.521287      1.091717
  C      -8.840555      5.700537      0.161253
  C      -9.583883      5.335936     -0.987784
  C      -8.998617      4.541179     -1.949120
  C      -7.668838      4.103172     -1.755965
  N      -6.943356      4.401123     -0.689424
  C      -7.509822      5.184090      0.264555
  C      -6.323503      2.105864      7.020879
  C      -6.899962      3.540836      6.953706
  C      -8.257004      3.630868      6.283030
  O      -8.085373      3.179708      4.923280
  C      -9.128944      3.253405      4.080212
  C     -10.370272      3.801114      4.371209
  C     -11.366590      3.811186      3.371201
  N     -11.233477      3.313875      2.152397
  C     -10.020533      2.759182      1.854138
  C      -9.821053      2.183329      0.575049
  C      -8.601842      1.623696      0.266050
  C      -7.573889      1.651568      1.232033
  N      -7.718697      2.167398      2.443364
  C      -8.922192      2.710844      2.767974
  H      -3.609494     -2.173283      5.201974
  H      -4.483042     -1.116451      4.074110
  H      -1.492695     -1.768342      3.794679
  H      -2.768436     -2.683561      2.982823
  H      -1.628146     -0.793006      1.606884
  H      -2.494663      0.354493      2.659615
  H      -5.426342     -1.669663     -0.159046
  H      -6.329699     -0.386881     -2.088801
  H      -4.307765      3.712601     -2.084044
  H      -2.577539      4.831713     -0.626023
  H      -1.607301      3.536831      1.287709
  H      -3.136091      5.570443      4.722506
  H      -4.150358      4.814613      5.951510
  H      -5.750596      5.592057      4.474704
  H      -5.575519      3.927447      3.904178
  H      -3.697935      4.887354      2.332605
  H      -4.504669      6.468945      2.583261
  H      -6.796151      6.760907      3.219773
  H      -9.102300      7.530519      2.855966
  H     -10.607019      5.704895     -1.077098
  H      -9.543548      4.245777     -2.846961
  H      -7.183284      3.464743     -2.501675
  H      -6.620954      1.637108      7.980347
  H      -6.759019      1.506345      6.213174
  H      -6.199849      4.169110      6.385351
  H      -6.984087      3.984126      7.958308
  H      -8.621134      4.671619      6.281404
  H      -9.013988      2.996306      6.777055
  H     -10.592942      4.225511      5.348345
  H     -12.337363      4.259912      3.606784
  H     -10.646894      2.211474     -0.137355
  H      -8.406778      1.186315     -0.713172
  H      -6.589916      1.237081      0.999566
  N      -5.221338      1.552324      3.945054
  H      -6.102130      1.781169      3.439452
100
Coordinates from ORCA-job orca E -6429.526662917257
  N      -3.076141     -0.131834      5.250030
  Mo     -3.955627      1.655093      5.155862
  N      -4.874414      2.069572      6.876201
  C      -4.134025      2.626402      8.000470
  C      -2.775830      1.938880      8.083417
  N      -2.138372      1.958982      6.751555
  C      -1.225250      0.822162      6.523284
  C      -2.023374     -0.430588      6.213803
  C      -1.486348      3.252431      6.446155
  C      -1.700834      3.534839      4.956747
  N      -3.112370      3.474727      4.628171
  H      -1.327711     -1.199792      5.830970
  H      -2.465052     -0.854463      7.139976
  H      -0.612889      1.074382      5.645945
  H      -0.546678      0.668493      7.384122
  H      -1.270519      4.521180      4.695671
  H      -1.153436      2.781647      4.362114
  H      -1.982307      4.036246      7.036288
  H      -0.419908      3.233355      6.740082
  H      -4.681962      2.453162      8.946139
  H      -4.002166      3.725700      7.914938
  H      -2.931179      0.888517      8.368286
  H      -2.125019      2.408961      8.844191
  C      -3.515268     -1.312543      4.505780
  C      -2.533267     -1.694755      3.384277
  C      -2.497691     -0.667743      2.271995
  O      -3.702326     -0.871107      1.482573
  C      -4.061446     -0.084990      0.452114
  C      -5.043363     -0.615597     -0.382378
  C      -5.521231      0.122021     -1.474274
  N      -5.116569      1.344357     -1.798472
  C      -4.164100      1.893618     -0.992430
  C      -3.722216      3.210580     -1.275390
  C      -2.776918      3.800799     -0.470406
  C      -2.264245      3.067174      0.622869
  N      -2.637249      1.836287      0.926022
  C      -3.580106      1.235796      0.148158
  C      -3.826725      4.719387      4.885751
  C      -5.059151      4.894278      3.989669
  C      -4.649284      5.373246      2.602921
  O      -5.529666      4.983109      1.521213
  C      -6.747795      5.528443      1.416201
  C      -7.335263      6.412937      2.311914
  C      -8.654572      6.855554      2.081906
  N      -9.410546      6.519486      1.048694
  C      -8.831174      5.692674      0.126669
  C      -9.565088      5.327931     -1.028349
  C      -8.977114      4.520726     -1.977550
  C      -7.652594      4.074094     -1.768410
  N      -6.934536      4.375681     -0.697906
  C      -7.504893      5.168249      0.245787
  C      -6.323035      2.105735      7.030423
  C      -6.906199      3.538388      6.971952
  C      -8.272420      3.622575      6.319759
  O      -8.115966      3.174263      4.957342
  C      -9.169895      3.245260      4.127182
  C     -10.408365      3.791700      4.432138
  C     -11.417448      3.795958      3.444932
  N     -11.298012      3.297016      2.225395
  C     -10.087147      2.745662      1.912844
  C      -9.897802      2.179031      0.628153
  C      -8.680424      1.623619      0.304669
  C      -7.643768      1.647213      1.261466
  N      -7.776729      2.160806      2.475098
  C      -8.978061      2.700531      2.813671
  H      -3.633719     -2.169147      5.196951
  H      -4.499821     -1.109058      4.066702
  H      -1.514749     -1.788044      3.794242
  H      -2.798850     -2.682040      2.972324
  H      -1.628426     -0.802581      1.609606
  H      -2.477077      0.353905      2.666451
  H      -5.431978     -1.612433     -0.171637
  H      -6.285578     -0.323617     -2.119856
  H      -4.168649      3.727359     -2.124801
  H      -2.430822      4.818761     -0.654817
  H      -1.511489      3.516952      1.279256
  H      -3.138142      5.571930      4.710138
  H      -4.148741      4.821019      5.944905
  H      -5.751756      5.598660      4.471295
  H      -5.583880      3.931969      3.903585
  H      -3.702172      4.890297      2.329767
  H      -4.516578      6.468654      2.572262
  H      -6.809469      6.757509      3.198680
  H      -9.110712      7.531510      2.813540
  H     -10.585264      5.702019     -1.129157
  H      -9.517243      4.219490     -2.876354
  H      -7.165579      3.425067     -2.503851
  H      -6.612456      1.633235      7.990479
  H      -6.761362      1.506492      6.223923
  H      -6.216456      4.169517      6.394280
  H      -6.978374      3.980658      7.977924
  H      -8.642435      4.661201      6.324778
  H      -9.019095      2.982823      6.822696
  H     -10.618761      4.220550      5.410026
  H     -12.386137      4.243335      3.691322
  H     -10.729535      2.211302     -0.077121
  H      -8.494318      1.190242     -0.678071
  H      -6.662749      1.230983      1.019454
  N      -5.232005      1.560564      3.944755
  H      -6.113375      1.791550      3.441427
100
Coordinates from ORCA-job orca E -6429.525969153257
  N      -3.075253     -0.151817      5.242069
  Mo     -3.952434      1.635549      5.142552
  N      -4.858888      2.068132      6.864551
  C      -4.109227      2.627109      7.981723
  C      -2.753340      1.934575      8.059063
  N      -2.124152      1.947118      6.723314
  C      -1.213121      0.808280      6.494910
  C      -2.011995     -0.446913      6.195166
  C      -1.473367      3.238157      6.406004
  C      -1.693879      3.508703      4.915263
  N      -3.106437      3.446364      4.591048
  H      -1.317973     -1.214103      5.804993
  H      -2.442477     -0.872185      7.125931
  H      -0.604953      1.056791      5.613698
  H      -0.529663      0.658305      7.352521
  H      -1.264213      4.492662      4.644330
  H      -1.148951      2.750132      4.325193
  H      -1.966057      4.026570      6.992711
  H      -0.405683      3.220422      6.695414
  H      -4.651529      2.460313      8.931758
  H      -3.973665      3.725323      7.890008
  H      -2.911350      0.885632      8.347820
  H      -2.096172      2.404284      8.814648
  C      -3.528589     -1.334521      4.509926
  C      -2.569593     -1.719304      3.369461
  C      -2.516850     -0.665714      2.283171
  O      -3.748085     -0.792639      1.519967
  C      -4.095786      0.036172      0.519324
  C      -5.123023     -0.426801     -0.300749
  C      -5.596445      0.360924     -1.359064
  N      -5.147107      1.572960     -1.661642
  C      -4.155066      2.060307     -0.863830
  C      -3.671191      3.368414     -1.117628
  C      -2.687081      3.899216     -0.317782
  C      -2.178037      3.114684      0.741235
  N      -2.588806      1.888950      1.015596
  C      -3.569469      1.346201      0.241890
  C      -3.818529      4.696222      4.829219
  C      -5.058606      4.851140      3.940303
  C      -4.659637      5.303575      2.541547
  O      -5.531425      4.872813      1.468257
  C      -6.755517      5.400023      1.343474
  C      -7.363474      6.287182      2.222668
  C      -8.679340      6.724229      1.964786
  N      -9.408963      6.390921      0.911998
  C      -8.808602      5.561793      0.005671
  C      -9.513350      5.201369     -1.168676
  C      -8.909112      4.381345     -2.096246
  C      -7.594054      3.925590     -1.850774
  N      -6.899000      4.231335     -0.766180
  C      -7.488593      5.030363      0.160353
  C      -6.305561      2.098839      7.031993
  C      -6.893496      3.530296      6.997942
  C      -8.269153      3.614839      6.366282
  O      -8.126697      3.191034      4.994353
  C      -9.193661      3.262359      4.181133
  C     -10.430709      3.797239      4.510832
  C     -11.456759      3.798940      3.541320
  N     -11.351000      3.318303      2.313243
  C     -10.138483      2.787472      1.973021
  C      -9.951958      2.274463      0.665609
  C      -8.731681      1.743792      0.312919
  C      -7.689824      1.736145      1.264415
  N      -7.814821      2.214680      2.493228
  C      -9.017178      2.735245      2.858139
  H      -3.638625     -2.190301      5.203428
  H      -4.519909     -1.128167      4.087659
  H      -1.549252     -1.847925      3.765089
  H      -2.866523     -2.689633      2.939096
  H      -1.669635     -0.818730      1.596366
  H      -2.441775      0.342563      2.703820
  H      -5.548022     -1.412297     -0.107577
  H      -6.394405     -0.034140     -1.996781
  H      -4.116337      3.926473     -1.941397
  H      -2.307059      4.908697     -0.480877
  H      -1.396564      3.517332      1.394605
  H      -3.130642      5.543525      4.627659
  H      -4.129676      4.821470      5.889108
  H      -5.751358      5.560867      4.413699
  H      -5.579023      3.884672      3.876194
  H      -3.705063      4.829250      2.279626
  H      -4.542546      6.399569      2.484002
  H      -6.855413      6.639940      3.116622
  H      -9.152454      7.401144      2.684595
  H     -10.529190      5.579202     -1.295410
  H      -9.431987      4.071312     -3.002296
  H      -7.094605      3.268554     -2.570133
  H      -6.585726      1.614430      7.988852
  H      -6.749654      1.508459      6.222118
  H      -6.215450      4.170305      6.416202
  H      -6.952268      3.960573      8.009918
  H      -8.647417      4.650053      6.392832
  H      -9.003345      2.960533      6.868852
  H     -10.625761      4.222614      5.493447
  H     -12.425779      4.233396      3.808379
  H     -10.787661      2.327903     -0.033417
  H      -8.550106      1.345206     -0.685342
  H      -6.711564      1.323265      1.005204
  N      -5.239345      1.535361      3.942466
  H      -6.125602      1.770863      3.451491
100
Coordinates from ORCA-job orca E -6429.526684067152
  N      -3.058174     -0.121265      5.259959
  Mo     -3.950585      1.659632      5.171973
  N      -4.867325      2.066051      6.894013
  C      -4.128186      2.622905      8.019239
  C      -2.765393      1.942965      8.096212
  N      -2.130990      1.972858      6.762871
  C      -1.209040      0.844827      6.527525
  C      -1.997113     -0.413580      6.216568
  C      -1.489744      3.271889      6.460208
  C      -1.709168      3.555874      4.972122
  N      -3.120766      3.486218      4.646638
  H      -1.296286     -1.174472      5.826511
  H      -2.429407     -0.845788      7.143315
  H      -0.601271      1.105431      5.649490
  H      -0.526515      0.693816      7.385717
  H      -1.287274      4.546401      4.713186
  H      -1.157190      2.808625      4.374103
  H      -1.990622      4.050282      7.053330
  H      -0.422656      3.260073      6.752153
  H      -4.673071      2.442987      8.965394
  H      -4.002842      3.723123      7.937234
  H      -2.914185      0.890274      8.376067
  H      -2.115651      2.412981      8.857985
  C      -3.501420     -1.308587      4.528899
  C      -2.538370     -1.691899      3.390982
  C      -2.526890     -0.670830      2.273035
  O      -3.754156     -0.875266      1.520520
  C      -4.134486     -0.110003      0.482042
  C      -5.146520     -0.650790     -0.308668
  C      -5.648861      0.062806     -1.405463
  N      -5.242192      1.271602     -1.773335
  C      -4.264941      1.833596     -1.007097
  C      -3.824493      3.140834     -1.333735
  C      -2.852481      3.744059     -0.571143
  C      -2.311495      3.033000      0.523497
  N      -2.683529      1.812422      0.867568
  C      -3.652443      1.199560      0.132336
  C      -3.840610      4.726402      4.910956
  C      -5.074753      4.901343      4.018336
  C      -4.664199      5.386974      2.634212
  O      -5.529282      4.986030      1.544675
  C      -6.750521      5.521061      1.425826
  C      -7.362917      6.385599      2.324209
  C      -8.676919      6.830444      2.069353
  N      -9.403412      6.518517      1.007729
  C      -8.798952      5.710592      0.085042
  C      -9.496986      5.378284     -1.101683
  C      -8.882527      4.590892     -2.050865
  C      -7.567890      4.131144     -1.809673
  N      -6.881386      4.406785     -0.711701
  C      -7.477772      5.180323      0.231284
  C      -6.315335      2.088057      7.047767
  C      -6.911690      3.515220      7.003305
  C      -8.273223      3.587613      6.340793
  O      -8.093180      3.172700      4.970323
  C      -9.144598      3.222490      4.135801
  C     -10.406380      3.706977      4.449630
  C     -11.411749      3.692902      3.458774
  N     -11.265740      3.235793      2.225935
  C     -10.029493      2.751253      1.902137
  C      -9.807534      2.243750      0.598218
  C      -8.564887      1.755492      0.262901
  C      -7.536737      1.784665      1.228863
  N      -7.698284      2.248140      2.459218
  C      -8.923678      2.724517      2.807830
  H      -3.600744     -2.162014      5.226958
  H      -4.495622     -1.115652      4.107106
  H      -1.511986     -1.781113      3.781976
  H      -2.809678     -2.681382      2.988342
  H      -1.676664     -0.814237      1.588037
  H      -2.490707      0.353122      2.660337
  H      -5.537416     -1.638362     -0.061509
  H      -6.435041     -0.392148     -2.017490
  H      -4.292440      3.639739     -2.182554
  H      -2.504924      4.754527     -0.790994
  H      -1.538029      3.493789      1.147279
  H      -3.155331      5.581478      4.734763
  H      -4.158852      4.824127      5.971726
  H      -5.769948      5.600917      4.503530
  H      -5.595000      3.937373      3.928464
  H      -3.708344      4.917689      2.367302
  H      -4.545711      6.483977      2.604835
  H      -6.860201      6.713843      3.230492
  H      -9.154074      7.488822      2.803574
  H     -10.511567      5.760497     -1.226044
  H      -9.394688      4.314370     -2.973895
  H      -7.059657      3.499006     -2.545236
  H      -6.603751      1.601377      8.001129
  H      -6.746322      1.495594      6.232094
  H      -6.225922      4.160933      6.436629
  H      -6.995500      3.944324      8.014028
  H      -8.664217      4.618190      6.363903
  H      -9.011075      2.922049      6.822838
  H     -10.638326      4.099583      5.438053
  H     -12.401289      4.086299      3.714247
  H     -10.635867      2.266015     -0.111246
  H      -8.354459      1.367128     -0.733753
  H      -6.538627      1.415956      0.979773
  N      -5.231918      1.558447      3.965835
  H      -6.118569      1.785295      3.472520
100
Coordinates from ORCA-job orca E -6429.526302237078
  N      -3.079318     -0.132126      5.242582
  Mo     -3.966225      1.652278      5.165480
  N      -4.878511      2.058847      6.890567
  C      -4.134072      2.606591      8.016574
  C      -2.776980      1.916585      8.090371
  N      -2.143540      1.949208      6.757207
  C      -1.227196      0.817689      6.518614
  C      -2.020879     -0.435021      6.198967
  C      -1.497199      3.247370      6.459780
  C      -1.713376      3.536533      4.972184
  N      -3.124814      3.473455      4.642189
  H      -1.322371     -1.195579      5.804120
  H      -2.455745     -0.872582      7.122077
  H      -0.615425      1.079578      5.643736
  H      -0.547739      0.658495      7.377781
  H      -1.286377      4.525378      4.715437
  H      -1.163583      2.787943      4.374101
  H      -1.995744      4.025849      7.054730
  H      -0.430505      3.230728      6.753025
  H      -4.679569      2.428473      8.962664
  H      -4.000313      3.706020      7.937367
  H      -2.933356      0.863636      8.365200
  H      -2.123496      2.378414      8.853939
  C      -3.507957     -1.308033      4.485574
  C      -2.519040     -1.666922      3.362167
  C      -2.497337     -0.632698      2.256084
  O      -3.696567     -0.855002      1.464705
  C      -4.066346     -0.074855      0.434162
  C      -5.027226     -0.626500     -0.410906
  C      -5.509410      0.101045     -1.507550
  N      -5.131684      1.333984     -1.823930
  C      -4.201057      1.903715     -1.006686
  C      -3.789442      3.232400     -1.280111
  C      -2.863529      3.841406     -0.466438
  C      -2.338240      3.114119      0.625259
  N      -2.686427      1.874238      0.922557
  C      -3.611233      1.256250      0.136675
  C      -3.842694      4.717444      4.892797
  C      -5.057873      4.895323      3.974236
  C      -4.618789      5.375465      2.595840
  O      -5.475936      4.983672      1.496964
  C      -6.692241      5.528543      1.370894
  C      -7.301205      6.400071      2.264823
  C      -8.622116      6.829856      2.019781
  N      -9.365073      6.482163      0.980907
  C      -8.766536      5.663131      0.064208
  C      -9.487511      5.282393     -1.093907
  C      -8.877346      4.489390     -2.041333
  C      -7.546012      4.067443     -1.823864
  N      -6.841681      4.379657     -0.747358
  C      -7.431638      5.163591      0.191154
  C      -6.326224      2.098857      7.049178
  C      -6.901550      3.535138      7.004078
  C      -8.272532      3.628276      6.363225
  O      -8.126354      3.186026      4.997816
  C      -9.185162      3.263074      4.174378
  C     -10.419553      3.814417      4.487490
  C     -11.431022      3.832620      3.502682
  N     -11.319661      3.337341      2.280744
  C     -10.115302      2.774383      1.962898
  C      -9.944750      2.182755      0.686586
  C      -8.739842      1.599470      0.365485
  C      -7.696273      1.621503      1.314976
  N      -7.814147      2.151351      2.523124
  C      -9.003945      2.716723      2.860195
  H      -3.615476     -2.173158      5.168032
  H      -4.494792     -1.112718      4.047904
  H      -1.499939     -1.748334      3.773493
  H      -2.769827     -2.654507      2.942133
  H      -1.624878     -0.750199      1.594790
  H      -2.494129      0.387712      2.655645
  H      -5.396108     -1.631673     -0.204607
  H      -6.257006     -0.360816     -2.161347
  H      -4.242344      3.741993     -2.130551
  H      -2.540049      4.867891     -0.644669
  H      -1.598481      3.577616      1.286681
  H      -3.150486      5.569418      4.728584
  H      -4.180757      4.817550      5.947098
  H      -5.759046      5.600128      4.443074
  H      -5.582549      3.933993      3.875947
  H      -3.663807      4.896017      2.342466
  H      -4.489806      6.471442      2.567812
  H      -6.792096      6.742146      3.162308
  H      -9.096101      7.494585      2.750345
  H     -10.512409      5.641138     -1.203250
  H      -9.402834      4.185566     -2.947876
  H      -7.041911      3.427954     -2.556444
  H      -6.616728      1.619102      8.005560
  H      -6.769455      1.509767      6.238079
  H      -6.213202      4.165644      6.423410
  H      -6.963005      3.971961      8.013067
  H      -8.639368      4.668013      6.376738
  H      -9.017362      2.987654      6.867856
  H     -10.625508      4.234783      5.470348
  H     -12.396993      4.282525      3.755570
  H     -10.781690      2.214737     -0.012809
  H      -8.566647      1.149293     -0.611814
  H      -6.722740      1.189947      1.071897
  N      -5.249614      1.561889      3.960838
  H      -6.136888      1.796086      3.468933
100
Coordinates from ORCA-job orca E -6429.526757981727
  N      -3.074652     -0.125714      5.247377
  Mo     -3.957184      1.660250      5.165239
  N      -4.870803      2.066876      6.889020
  C      -4.128714      2.617175      8.015282
  C      -2.770032      1.929568      8.090705
  N      -2.136256      1.959521      6.757313
  C      -1.221077      0.826623      6.519234
  C      -2.016278     -0.426545      6.204482
  C      -1.488537      3.256618      6.458317
  C      -1.705478      3.546373      4.970807
  N      -3.117045      3.482656      4.642936
  H      -1.319249     -1.190125      5.812995
  H      -2.451867     -0.859019      7.129609
  H      -0.611769      1.085700      5.641776
  H      -0.539321      0.669234      7.376933
  H      -1.279465      4.535924      4.715141
  H      -1.155370      2.799047      4.371323
  H      -1.986283      4.035710      7.053147
  H      -0.421680      3.239229      6.750967
  H      -4.674641      2.438425      8.961037
  H      -3.997194      3.716833      7.935421
  H      -2.924413      0.877130      8.368406
  H      -2.117497      2.394580      8.853138
  C      -3.515789     -1.305522      4.503345
  C      -2.543116     -1.680564      3.371375
  C      -2.517228     -0.648737      2.263373
  O      -3.735781     -0.841585      1.493846
  C      -4.091783     -0.064541      0.456003
  C      -5.085324     -0.591985     -0.366432
  C      -5.554401      0.136086     -1.468545
  N      -5.130512      1.346243     -1.813139
  C      -4.168668      1.893380     -1.016902
  C      -3.706595      3.198634     -1.320652
  C      -2.750532      3.786298     -0.526456
  C      -2.246825      3.061291      0.576795
  N      -2.638935      1.841301      0.899916
  C      -3.592674      1.244454      0.132541
  C      -3.835373      4.724868      4.900356
  C      -5.064231      4.898049      3.999102
  C      -4.646688      5.373334      2.612586
  O      -5.508797      4.964231      1.523306
  C      -6.730732      5.496943      1.398442
  C      -7.345051      6.368507      2.288744
  C      -8.665067      6.797134      2.037081
  N      -9.399507      6.455835      0.990064
  C      -8.795327      5.637799      0.076185
  C      -9.504299      5.269376     -1.093400
  C      -8.889530      4.474438     -2.036281
  C      -7.565239      4.039044     -1.803366
  N      -6.869800      4.345600     -0.719332
  C      -7.464386      5.130715      0.215189
  C      -6.318969      2.097739      7.045774
  C      -6.905650      3.529174      6.999812
  C      -8.276572      3.610803      6.356976
  O      -8.123544      3.187701      4.985813
  C      -9.187283      3.252268      4.167608
  C     -10.435112      3.760918      4.499152
  C     -11.454417      3.766268      3.522480
  N     -11.336074      3.301858      2.289283
  C     -10.116140      2.786988      1.950518
  C      -9.930754      2.248202      0.653185
  C      -8.706571      1.722987      0.305526
  C      -7.660077      1.747250      1.251821
  N      -7.790059      2.231816      2.477785
  C      -8.997345      2.742882      2.839392
  H      -3.622559     -2.164845      5.193150
  H      -4.505825     -1.106391      4.074767
  H      -1.521029     -1.776510      3.771884
  H      -2.813137     -2.665252      2.956301
  H      -1.659319     -0.787197      1.587198
  H      -2.483208      0.371534      2.661465
  H      -5.488297     -1.579499     -0.139521
  H      -6.327377     -0.307359     -2.105326
  H      -4.145643      3.708716     -2.177938
  H      -2.387618      4.795128     -0.727944
  H      -1.484956      3.508944      1.223951
  H      -3.147993      5.578940      4.727116
  H      -4.160806      4.824829      5.958623
  H      -5.758703      5.603630      4.476636
  H      -5.588651      3.935611      3.912958
  H      -3.689507      4.902191      2.352974
  H      -4.529458      6.470301      2.575383
  H      -6.839856      6.712822      3.187487
  H      -9.142688      7.462655      2.764521
  H     -10.525176      5.636121     -1.213170
  H      -9.406488      4.178213     -2.950456
  H      -7.057587      3.396595     -2.530657
  H      -6.607343      1.615708      8.001562
  H      -6.756492      1.505447      6.233962
  H      -6.222494      4.165768      6.419649
  H      -6.971611      3.965219      8.008839
  H      -8.657464      4.645234      6.380776
  H      -9.013449      2.955064      6.853776
  H     -10.645863      4.156969      5.490997
  H     -12.432009      4.180341      3.791216
  H     -10.772965      2.272522     -0.039858
  H      -8.523393      1.311732     -0.687120
  H      -6.674160      1.354974      0.990958
  N      -5.237437      1.570227      3.957140
  H      -6.122713      1.804206      3.462721
100
Coordinates from ORCA-job orca E -6429.526228765463
  N      -3.058191     -0.128226      5.261607
  Mo     -3.945781      1.654746      5.164469
  N      -4.862587      2.073740      6.882421
  C      -4.122534      2.635435      8.004533
  C      -2.762407      1.950281      8.087274
  N      -2.125965      1.969329      6.754494
  C      -1.207883      0.836558      6.527402
  C      -1.998825     -0.420807      6.219685
  C      -1.478466      3.263416      6.444595
  C      -1.696782      3.540342      4.954999
  N      -3.109219      3.476037      4.632933
  H      -1.298752     -1.183217      5.831161
  H      -2.432175     -0.851015      7.146838
  H      -0.596301      1.090230      5.649984
  H      -0.528153      0.687327      7.388130
  H      -1.270902      4.527808      4.691228
  H      -1.149030      2.787736      4.359848
  H      -1.975492      4.047541      7.033340
  H      -0.411444      3.248143      6.736696
  H      -4.668670      2.464478      8.951613
  H      -3.992542      3.734516      7.914696
  H      -2.915617      0.899824      8.373080
  H      -2.111921      2.422267      8.847232
  C      -3.503830     -1.316041      4.532989
  C      -2.545688     -1.700219      3.391377
  C      -2.532988     -0.671986      2.280430
  O      -3.774187     -0.852074      1.545784
  C      -4.162384     -0.069757      0.522581
  C      -5.201504     -0.583393     -0.250858
  C      -5.718454      0.153533     -1.325361
  N      -5.298944      1.359283     -1.688747
  C      -4.295598      1.895653     -0.938215
  C      -3.839709      3.198766     -1.259909
  C      -2.843212      3.777851     -0.510425
  C      -2.293967      3.046950      0.566751
  N      -2.678774      1.828629      0.904917
  C      -3.670273      1.238569      0.180951
  C      -3.820801      4.720850      4.898566
  C      -5.059101      4.904201      4.013906
  C      -4.653913      5.377781      2.623988
  O      -5.528718      4.977796      1.541892
  C      -6.741692      5.530718      1.420044
  C      -7.340402      6.411439      2.311987
  C      -8.646599      6.876564      2.053099
  N      -9.376826      6.571242      0.991986
  C      -8.785110      5.747040      0.075476
  C      -9.487541      5.417625     -1.109630
  C      -8.887224      4.609557     -2.050649
  C      -7.581780      4.127323     -1.803536
  N      -6.890924      4.401923     -0.707859
  C      -7.473568      5.194901      0.227126
  C      -6.310545      2.101204      7.033604
  C      -6.904240      3.528208      6.965571
  C      -8.266466      3.587573      6.303482
  O      -8.086750      3.151243      4.939417
  C      -9.141481      3.181634      4.108179
  C     -10.403823      3.665990      4.420147
  C     -11.413931      3.631772      3.434768
  N     -11.271383      3.156961      2.208383
  C     -10.035079      2.671130      1.886975
  C      -9.817027      2.147386      0.588922
  C      -8.573658      1.660895      0.254113
  C      -7.540978      1.708802      1.214473
  N      -7.698401      2.186726      2.440062
  C      -8.924643      2.662440      2.787597
  H      -3.602173     -2.170004      5.230641
  H      -4.499061     -1.121503      4.114479
  H      -1.518260     -1.797212      3.777590
  H      -2.825289     -2.685676      2.984408
  H      -1.693228     -0.820836      1.583775
  H      -2.478608      0.347933      2.675758
  H      -5.602824     -1.567641     -0.007120
  H      -6.526320     -0.280273     -1.924320
  H      -4.315334      3.714225     -2.094410
  H      -2.482899      4.784551     -0.726960
  H      -1.501506      3.488856      1.180331
  H      -3.130204      5.570731      4.718487
  H      -4.132687      4.821235      5.960920
  H      -5.743739      5.612702      4.501065
  H      -5.589459      3.945078      3.933155
  H      -3.703836      4.898343      2.354603
  H      -4.526551      6.473491      2.586432
  H      -6.832852      6.737282      3.216368
  H      -9.112432      7.549352      2.781462
  H     -10.495180      5.816537     -1.238014
  H      -9.403439      4.333533     -2.971657
  H      -7.085140      3.475146     -2.529435
  H      -6.602646      1.628502      7.992853
  H      -6.741063      1.498624      6.225063
  H      -6.219549      4.162730      6.384979
  H      -6.985750      3.976153      7.968238
  H      -8.660280      4.617338      6.309544
  H      -9.001849      2.928001      6.797392
  H     -10.632340      4.074026      5.402940
  H     -12.403732      4.025581      3.688584
  H     -10.649430      2.154832     -0.115987
  H      -8.365977      1.259785     -0.738153
  H      -6.542188      1.345478      0.963043
  N      -5.227515      1.552671      3.957638
  H      -6.113732      1.783388      3.467188
100
Coordinates from ORCA-job orca E -6429.526778429408
  N      -3.087745     -0.135017      5.249744
  Mo     -3.970499      1.651072      5.167494
  N      -4.870122      2.070263      6.895237
  C      -4.118212      2.623732      8.013482
  C      -2.761646      1.931752      8.082471
  N      -2.136955      1.954307      6.744775
  C      -1.225032      0.818996      6.506839
  C      -2.022658     -0.434532      6.199578
  C      -1.488637      3.248122      6.434327
  C      -1.714696      3.528858      4.946507
  N      -3.128715      3.467388      4.629105
  H      -1.327470     -1.196990      5.802359
  H      -2.450493     -0.868182      7.127730
  H      -0.618328      1.074157      5.626476
  H      -0.539924      0.663533      7.362207
  H      -1.287970      4.515725      4.681853
  H      -1.171120      2.776114      4.347825
  H      -1.980556      4.031897      7.027809
  H      -0.419997      3.229756      6.720247
  H      -4.657771      2.451917      8.964117
  H      -3.983339      3.722404      7.926632
  H      -2.918223      0.880711      8.364358
  H      -2.102349      2.396674      8.839166
  C      -3.529588     -1.315624      4.507465
  C      -2.557056     -1.688608      3.374151
  C      -2.526897     -0.651179      2.271581
  O      -3.743382     -0.838622      1.498088
  C      -4.099707     -0.058379      0.462263
  C      -5.081228     -0.593254     -0.369734
  C      -5.551380      0.134221     -1.471741
  N      -5.142337      1.351989     -1.806107
  C      -4.197832      1.909728     -0.996919
  C      -3.759501      3.226663     -1.285055
  C      -2.823353      3.826841     -0.476669
  C      -2.315873      3.102844      0.625459
  N      -2.685994      1.872225      0.934236
  C      -3.619359      1.261824      0.152292
  C      -3.839466      4.714742      4.883632
  C      -5.075209      4.888511      3.992850
  C      -4.665764      5.344537      2.597916
  O      -5.535464      4.926336      1.518578
  C      -6.750806      5.472247      1.387877
  C      -7.356186      6.356867      2.271351
  C      -8.664560      6.812145      2.006088
  N      -9.391415      6.492756      0.946883
  C      -8.793502      5.664056      0.038489
  C      -9.491756      5.321614     -1.145356
  C      -8.884678      4.510549     -2.079356
  C      -7.577233      4.037215     -1.825775
  N      -6.890252      4.323558     -0.730667
  C      -7.478931      5.121030      0.196904
  C      -6.316175      2.104181      7.063332
  C      -6.900299      3.536558      7.025181
  C      -8.269738      3.616233      6.381112
  O      -8.105202      3.194459      5.011325
  C      -9.161958      3.247993      4.184154
  C     -10.415122      3.753970      4.498746
  C     -11.424532      3.744740      3.511813
  N     -11.289909      3.273539      2.282890
  C     -10.063467      2.763319      1.960873
  C      -9.854444      2.235584      0.662882
  C      -8.622354      1.718399      0.331539
  C      -7.591285      1.739878      1.294884
  N      -7.740264      2.223216      2.519123
  C      -8.955201      2.728779      2.862874
  H      -3.633643     -2.175377      5.197106
  H      -4.520763     -1.118355      4.080591
  H      -1.535650     -1.786789      3.775798
  H      -2.827796     -2.671264      2.954717
  H      -1.667343     -0.787697      1.596959
  H      -2.491304      0.366601      2.674896
  H      -5.471454     -1.588057     -0.152409
  H      -6.311883     -0.317010     -2.117965
  H      -4.200591      3.735145     -2.142428
  H      -2.479011      4.844455     -0.666475
  H      -1.571158      3.560919      1.285203
  H      -3.148576      5.562900      4.696343
  H      -4.153387      4.825263      5.944332
  H      -5.760749      5.603624      4.469121
  H      -5.606767      3.928927      3.921559
  H      -3.712575      4.865392      2.338514
  H      -4.542473      6.440141      2.545925
  H      -6.852536      6.692857      3.174241
  H      -9.136033      7.487689      2.728257
  H     -10.501026      5.714543     -1.279291
  H      -9.396475      4.226611     -3.000400
  H      -7.076159      3.382126     -2.546021
  H      -6.599990      1.620255      8.019491
  H      -6.760748      1.515723      6.252027
  H      -6.217930      4.174131      6.445418
  H      -6.965483      3.969650      8.035514
  H      -8.655043      4.648988      6.404273
  H      -9.004863      2.955672      6.874105
  H     -10.636666      4.160745      5.483756
  H     -12.406742      4.156631      3.766543
  H     -10.685098      2.261851     -0.043709
  H      -8.422428      1.311127     -0.659637
  H      -6.602009      1.346791      1.049185
  N      -5.261674      1.557636      3.970217
  H      -6.151692      1.793949      3.487949
100
Coordinates from ORCA-job orca E -6429.526491968095
  N      -3.079111     -0.120918      5.243942
  Mo     -3.952696      1.668917      5.164610
  N      -4.867389      2.074818      6.887913
  C      -4.125586      2.620864      8.016400
  C      -2.768880      1.929236      8.092657
  N      -2.133613      1.959296      6.760007
  C      -1.222763      0.822939      6.520047
  C      -2.022731     -0.426889      6.202095
  C      -1.481364      3.255223      6.464333
  C      -1.695149      3.549205      4.976991
  N      -3.106219      3.488908      4.645616
  H      -1.328582     -1.193302      5.811346
  H      -2.461537     -0.857874      7.126395
  H      -0.612133      1.081117      5.643195
  H      -0.541940      0.661053      7.377702
  H      -1.266337      4.538284      4.724170
  H      -1.145285      2.802125      4.377013
  H      -1.977875      4.034622      7.059796
  H      -0.414988      3.234224      6.758595
  H      -4.673677      2.441934      8.960849
  H      -3.990900      3.720310      7.938879
  H      -2.926475      0.876916      8.369008
  H      -2.115850      2.391569      8.856273
  C      -3.530658     -1.297022      4.500346
  C      -2.571581     -1.671011      3.356953
  C      -2.547668     -0.632794      2.254248
  O      -3.776069     -0.803674      1.494350
  C      -4.111616     -0.022530      0.453578
  C      -5.106956     -0.530476     -0.378663
  C      -5.547313      0.205937     -1.487228
  N      -5.092101      1.405714     -1.829161
  C      -4.125102      1.931626     -1.024551
  C      -3.625366      3.223128     -1.327403
  C      -2.663763      3.788419     -0.523530
  C      -2.192254      3.054551      0.588275
  N      -2.618681      1.845886      0.909998
  C      -3.578412      1.272326      0.132773
  C      -3.825690      4.731045      4.898875
  C      -5.052126      4.900125      3.992383
  C      -4.631737      5.368741      2.603908
  O      -5.492544      4.954117      1.515511
  C      -6.716486      5.482624      1.391641
  C      -7.335939      6.343856      2.288391
  C      -8.660646      6.761500      2.043205
  N      -9.398490      6.411683      1.001479
  C      -8.791119      5.601454      0.082784
  C      -9.503050      5.227837     -1.083343
  C      -8.881755      4.451001     -2.037052
  C      -7.550411      4.032200     -1.814723
  N      -6.853767      4.339226     -0.731486
  C      -7.452364      5.112297      0.210656
  C      -6.316333      2.109365      7.042709
  C      -6.900756      3.541868      6.987550
  C      -8.275629      3.623396      6.350752
  O      -8.134289      3.193347      4.980196
  C      -9.205201      3.254435      4.170452
  C     -10.450977      3.762420      4.511166
  C     -11.477949      3.764684      3.542448
  N     -11.371011      3.291548      2.311241
  C     -10.154925      2.772205      1.965267
  C      -9.988526      2.200664      0.678993
  C      -8.771270      1.660308      0.328699
  C      -7.712574      1.702350      1.260738
  N      -7.827509      2.212913      2.477605
  C      -9.027864      2.736407      2.843658
  H      -3.633841     -2.158419      5.188178
  H      -4.523983     -1.092742      4.082011
  H      -1.546599     -1.777136      3.747456
  H      -2.852534     -2.651015      2.938283
  H      -1.698850     -0.778144      1.568086
  H      -2.496200      0.385184      2.657681
  H      -5.534036     -1.508369     -0.154321
  H      -6.323718     -0.220821     -2.131256
  H      -4.041027      3.741476     -2.191230
  H      -2.272417      4.786835     -0.723603
  H      -1.426957      3.484835      1.243151
  H      -3.139264      5.586330      4.727393
  H      -4.155958      4.831644      5.955593
  H      -5.746305      5.609678      4.464857
  H      -5.578729      3.938089      3.909798
  H      -3.673320      4.897990      2.347962
  H      -4.517335      6.465902      2.561777
  H      -6.831544      6.686692      3.188159
  H      -9.142263      7.418090      2.776130
  H     -10.528059      5.585070     -1.196897
  H      -9.396193      4.162726     -2.955238
  H      -7.036595      3.405036     -2.551193
  H      -6.606064      1.633358      8.001173
  H      -6.754429      1.513025      6.234553
  H      -6.218381      4.172281      6.399579
  H      -6.960722      3.985844      7.993426
  H      -8.654357      4.658703      6.372021
  H      -9.011373      2.972131      6.855088
  H     -10.655285      4.157344      5.505154
  H     -12.453900      4.178179      3.818162
  H     -10.841347      2.207925     -0.001476
  H      -8.602749      1.224571     -0.655869
  H      -6.730685      1.297635      0.998796
  N      -5.229542      1.586061      3.953177
  H      -6.114709      1.823875      3.455409
100
Coordinates from ORCA-job orca E -6429.526863757122
  N      -3.069324     -0.130946      5.251691
  Mo     -3.955848      1.653089      5.171277
  N      -4.868178      2.060737      6.894688
  C      -4.125365      2.611497      8.020443
  C      -2.766153      1.924427      8.094893
  N      -2.133248      1.955131      6.760991
  C      -1.216357      0.823942      6.522362
  C      -2.008965     -0.430582      6.206852
  C      -1.487362      3.252535      6.460771
  C      -1.706029      3.540655      4.973269
  N      -3.117916      3.475844      4.647948
  H      -1.310061     -1.191063      5.812528
  H      -2.441736     -0.866503      7.131640
  H      -0.607221      1.084401      5.645187
  H      -0.534241      0.667166      7.379891
  H      -1.281536      4.530631      4.716746
  H      -1.156097      2.793562      4.373234
  H      -1.985496      4.031556      7.055329
  H      -0.420275      3.236362      6.752598
  H      -4.670591      2.433406      8.966683
  H      -3.993965      3.711079      7.939670
  H      -2.919961      0.871712      8.371978
  H      -2.113330      2.389283      8.857196
  C      -3.506471     -1.310183      4.504537
  C      -2.536544     -1.674511      3.366261
  C      -2.519582     -0.635601      2.264789
  O      -3.745055     -0.824425      1.505736
  C      -4.108970     -0.051336      0.466955
  C      -5.105855     -0.585934     -0.346667
  C      -5.589048      0.137594     -1.445724
  N      -5.176867      1.350004     -1.795152
  C      -4.215027      1.906365     -1.005739
  C      -3.770099      3.217043     -1.311855
  C      -2.815745      3.815478     -0.523616
  C      -2.297247      3.096212      0.576579
  N      -2.673862      1.871931      0.902233
  C      -3.624423      1.263190      0.139913
  C      -3.834309      4.718893      4.907376
  C      -5.063844      4.897015      4.008916
  C      -4.645359      5.360724      2.618889
  O      -5.506018      4.944379      1.531503
  C      -6.723200      5.484939      1.395416
  C      -7.340001      6.360964      2.279581
  C      -8.653527      6.800830      2.013680
  N      -9.378299      6.468243      0.957124
  C      -8.770350      5.646537      0.049028
  C      -9.467759      5.287484     -1.130320
  C      -8.849327      4.487012     -2.066088
  C      -7.532513      4.037666     -1.817073
  N      -6.847869      4.335887     -0.723759
  C      -7.446447      5.125841      0.203911
  C      -6.316214      2.096103      7.049135
  C      -6.898062      3.529164      6.997904
  C      -8.268670      3.610715      6.354403
  O      -8.114258      3.186392      4.983535
  C      -9.177971      3.248143      4.165066
  C     -10.425117      3.759487      4.494922
  C     -11.444609      3.762012      3.518440
  N     -11.326956      3.293023      2.286957
  C     -10.108034      2.774493      1.950237
  C      -9.922913      2.233115      0.653962
  C      -8.699986      1.703657      0.308526
  C      -7.653880      1.728077      1.255170
  N      -7.782602      2.217973      2.479225
  C      -8.989079      2.732393      2.839017
  H      -3.604951     -2.173249      5.190833
  H      -4.499618     -1.115334      4.081189
  H      -1.512281     -1.768347      3.761734
  H      -2.804586     -2.657731      2.946413
  H      -1.667166     -0.769501      1.580641
  H      -2.482584      0.381725      2.669343
  H      -5.500074     -1.576060     -0.115558
  H      -6.363643     -0.312310     -2.075996
  H      -4.220877      3.722361     -2.166167
  H      -2.465295      4.828320     -0.727395
  H      -1.538591      3.553546      1.220814
  H      -3.145166      5.571213      4.732931
  H      -4.157174      4.819166      5.966485
  H      -5.751431      5.610612      4.484698
  H      -5.595737      3.938437      3.929642
  H      -3.688712      4.886087      2.364126
  H      -4.526575      6.457120      2.572624
  H      -6.842044      6.699871      3.184415
  H      -9.133793      7.469539      2.736447
  H     -10.483612      5.663949     -1.262066
  H      -9.357711      4.196629     -2.986915
  H      -7.021227      3.391406     -2.538317
  H      -6.608560      1.617077      8.005208
  H      -6.754027      1.503879      6.237142
  H      -6.213576      4.160812      6.413953
  H      -6.961887      3.969989      8.004952
  H      -8.650175      4.644929      6.376748
  H      -9.005420      2.954971      6.851404
  H     -10.634990      4.159914      5.485158
  H     -12.421463      4.178874      3.785478
  H     -10.764438      2.259070     -0.039873
  H      -8.517257      1.288970     -0.682896
  H      -6.668991      1.333059      0.995293
  N      -5.237662      1.559799      3.964370
  H      -6.126313      1.792434      3.475839
100
Coordinates from ORCA-job orca E -6429.526726922234
  N      -3.114837     -0.134806      5.237374
  Mo     -3.984265      1.657780      5.159741
  N      -4.874827      2.082263      6.890731
  C      -4.115123      2.629183      8.006752
  C      -2.763700      1.926874      8.070726
  N      -2.143231      1.945406      6.731048
  C      -1.241092      0.802921      6.489813
  C      -2.048949     -0.444379      6.182840
  C      -1.485804      3.234446      6.419437
  C      -1.714365      3.517948      4.932438
  N      -3.129903      3.467216      4.619675
  H      -1.360172     -1.210234      5.780819
  H      -2.476364     -0.877844      7.111265
  H      -0.634474      1.053849      5.608185
  H      -0.555018      0.641296      7.343259
  H      -1.280921      4.501594      4.666792
  H      -1.178530      2.761301      4.331799
  H      -1.969606      4.021719      7.014944
  H      -0.416425      3.207588      6.701966
  H      -4.652541      2.460648      8.959196
  H      -3.972349      3.726921      7.920338
  H      -2.926867      0.876821      8.352597
  H      -2.098625      2.386640      8.825490
  C      -3.567754     -1.309002      4.491875
  C      -2.599549     -1.687107      3.356783
  C      -2.548555     -0.639934      2.264337
  O      -3.772441     -0.787349      1.494483
  C      -4.100932      0.008547      0.461549
  C      -5.096355     -0.487934     -0.377540
  C      -5.536091      0.261937     -1.477378
  N      -5.081500      1.465637     -1.804362
  C      -4.121404      1.985546     -0.988259
  C      -3.631863      3.285860     -1.269166
  C      -2.680192      3.848326     -0.451759
  C      -2.208991      3.103031      0.652358
  N      -2.625877      1.885624      0.953627
  C      -3.574662      1.312955      0.161911
  C      -3.831222      4.720256      4.871742
  C      -5.071919      4.894747      3.987981
  C      -4.669857      5.327184      2.583313
  O      -5.549063      4.896039      1.516939
  C      -6.761007      5.448347      1.382391
  C      -7.358951      6.347864      2.255821
  C      -8.667010      6.804025      1.990310
  N      -9.401467      6.469474      0.940946
  C      -8.811781      5.623616      0.043003
  C      -9.519133      5.261152     -1.129555
  C      -8.920122      4.432461     -2.053472
  C      -7.612315      3.960026     -1.800165
  N      -6.917589      4.264283     -0.714821
  C      -7.497238      5.080830      0.201488
  C      -6.319954      2.124469      7.065223
  C      -6.897068      3.559315      7.022624
  C      -8.268571      3.639739      6.383474
  O      -8.109081      3.204513      5.017371
  C      -9.168291      3.249241      4.192895
  C     -10.419283      3.762764      4.504077
  C     -11.431507      3.742447      3.520220
  N     -11.301881      3.252570      2.298054
  C     -10.078013      2.733507      1.980283
  C      -9.876672      2.179172      0.692186
  C      -8.647849      1.650987      0.365991
  C      -7.612776      1.687046      1.324720
  N      -7.755373      2.192298      2.540927
  C      -8.966984      2.709515      2.879222
  H      -3.678465     -2.170610      5.178189
  H      -4.557621     -1.101113      4.067083
  H      -1.580484     -1.806050      3.758876
  H      -2.886331     -2.661021      2.927788
  H      -1.694968     -0.790706      1.585214
  H      -2.486601      0.372782      2.677938
  H      -5.521585     -1.469831     -0.167443
  H      -6.309533     -0.158511     -2.129026
  H      -4.046941      3.812752     -2.128300
  H      -2.296237      4.852679     -0.636023
  H      -1.453211      3.531513      1.319377
  H      -3.136381      5.563164      4.675685
  H      -4.138463      4.838244      5.933601
  H      -5.746719      5.622675      4.460267
  H      -5.613603      3.939430      3.933802
  H      -3.720844      4.839028      2.325080
  H      -4.542512      6.421290      2.512945
  H      -6.849826      6.694507      3.151551
  H      -9.132321      7.492111      2.704578
  H     -10.528166      5.654630     -1.263864
  H      -9.437737      4.135257     -2.967112
  H      -7.117448      3.288732     -2.509893
  H      -6.602428      1.645655      8.024360
  H      -6.770887      1.535353      6.258040
  H      -6.214802      4.189951      6.435245
  H      -6.955557      3.999459      8.030279
  H      -8.650146      4.674044      6.398625
  H      -9.004251      2.985817      6.884439
  H     -10.636950      4.183654      5.483968
  H     -12.411969      4.160372      3.771949
  H     -10.710997      2.193299     -0.010437
  H      -8.453258      1.224472     -0.618133
  H      -6.625755      1.287481      1.081549
  N      -5.279884      1.575436      3.965937
  H      -6.169819      1.821013      3.488487
100
Coordinates from ORCA-job orca E -6429.526915867025
  N      -3.082867     -0.128598      5.248996
  Mo     -3.962015      1.658948      5.169570
  N      -4.867950      2.071705      6.895211
  C      -4.120295      2.620531      8.018591
  C      -2.763679      1.928245      8.089846
  N      -2.134245      1.955362      6.754332
  C      -1.222492      0.820177      6.514233
  C      -2.020441     -0.431785      6.200794
  C      -1.484197      3.250114      6.451240
  C      -1.704746      3.537153      4.963742
  N      -3.117561      3.476810      4.641040
  H      -1.325228     -1.194341      5.803943
  H      -2.451585     -0.866728      7.126797
  H      -0.614031      1.077773      5.635763
  H      -0.539133      0.661108      7.370375
  H      -1.277109      4.525170      4.704906
  H      -1.158685      2.787177      4.363823
  H      -1.978258      4.031728      7.045789
  H      -0.416595      3.230360      6.741001
  H      -4.663577      2.444777      8.966389
  H      -3.985206      3.719602      7.936870
  H      -2.920946      0.876288      8.367881
  H      -2.107063      2.390901      8.850223
  C      -3.529020     -1.306415      4.504959
  C      -2.566841     -1.675271      3.361793
  C      -2.545327     -0.633672      2.262862
  O      -3.775782     -0.806443      1.508116
  C      -4.125422     -0.029101      0.468114
  C      -5.121557     -0.550982     -0.354506
  C      -5.582808      0.177814     -1.459637
  N      -5.149295      1.383630     -1.806482
  C      -4.188673      1.927834     -1.007039
  C      -3.721267      3.231457     -1.309514
  C      -2.768264      3.817410     -0.510268
  C      -2.273425      3.092430      0.597129
  N      -2.670040      1.873474      0.918721
  C      -3.619996      1.277940      0.145546
  C      -3.829776      4.723089      4.895689
  C      -5.062979      4.897864      4.001277
  C      -4.650120      5.347228      2.604903
  O      -5.516833      4.922263      1.525745
  C      -6.733659      5.464166      1.392092
  C      -7.346637      6.341765      2.277312
  C      -8.658706      6.786669      2.012567
  N      -9.384708      6.459119      0.955252
  C      -8.780558      5.635535      0.046291
  C      -9.478119      5.283874     -1.135288
  C      -8.863050      4.481902     -2.072041
  C      -7.549603      4.023559     -1.821800
  N      -6.864464      4.316215     -0.727240
  C      -7.459522      5.107651      0.201303
  C      -6.315296      2.106100      7.056250
  C      -6.899786      3.538256      7.009581
  C      -8.271078      3.616267      6.367534
  O      -8.113169      3.193072      4.996942
  C      -9.175769      3.244577      4.176582
  C     -10.428055      3.746384      4.501519
  C     -11.444812      3.736587      3.522169
  N     -11.319364      3.264939      2.292384
  C     -10.094794      2.756453      1.960700
  C      -9.899647      2.215481      0.665764
  C      -8.670679      1.696105      0.325859
  C      -7.628767      1.729474      1.277035
  N      -7.766502      2.221116      2.499383
  C      -8.978574      2.726450      2.853060
  H      -3.627552     -2.168942      5.191963
  H      -4.523518     -1.107462      4.086788
  H      -1.541827     -1.777699      3.753169
  H      -2.843984     -2.655382      2.940671
  H      -1.697473     -0.774788      1.574543
  H      -2.495342      0.382451      2.669797
  H      -5.530744     -1.535868     -0.127127
  H      -6.356530     -0.262232     -2.097922
  H      -4.154109      3.741725     -2.170008
  H      -2.400917      4.824825     -0.711040
  H      -1.516058      3.539777      1.249816
  H      -3.139365      5.572713      4.713205
  H      -4.148216      4.830568      5.955410
  H      -5.745421      5.618494      4.474046
  H      -5.599380      3.940557      3.933135
  H      -3.695317      4.868717      2.350239
  H      -4.530113      6.442942      2.547513
  H      -6.846629      6.678311      3.182000
  H      -9.136036      7.456609      2.736119
  H     -10.491479      5.666769     -1.267709
  H      -9.371585      4.196847     -2.994559
  H      -7.041036      3.375063     -2.542993
  H      -6.603168      1.625490      8.012882
  H      -6.756029      1.514522      6.245350
  H      -6.217845      4.172224      6.425319
  H      -6.962967      3.977363      8.017404
  H      -8.656665      4.648922      6.390500
  H      -9.005027      2.956787      6.863730
  H     -10.643972      4.148551      5.489773
  H     -12.426135      4.145473      3.785137
  H     -10.738974      2.232474     -0.030890
  H      -8.480893      1.280389     -0.663785
  H      -6.640289      1.338436      1.023115
  N      -5.247008      1.569925      3.965570
  H      -6.136585      1.806838      3.480366
100
Coordinates from ORCA-job orca E -6429.526851458153
  N      -3.080294     -0.135069      5.244935
  Mo     -3.962236      1.651309      5.168243
  N      -4.874458      2.060650      6.891107
  C      -4.129827      2.606638      8.017972
  C      -2.773788      1.913461      8.092521
  N      -2.139261      1.943941      6.759434
  C      -1.225821      0.810018      6.520690
  C      -2.021182     -0.441394      6.199161
  C      -1.488478      3.239368      6.461196
  C      -1.704827      3.529392      4.973627
  N      -3.116982      3.470874      4.647945
  H      -1.323162     -1.200632      5.800746
  H      -2.454753     -0.881859      7.121414
  H      -0.612761      1.070490      5.646279
  H      -0.546841      0.648745      7.379879
  H      -1.276044      4.517668      4.717806
  H      -1.157962      2.780146      4.373518
  H      -1.984185      4.019741      7.055976
  H      -0.421718      3.219041      6.754024
  H      -4.676280      2.430102      8.963790
  H      -3.993375      3.705707      7.938405
  H      -2.932387      0.860793      8.367177
  H      -2.119914      2.373982      8.856587
  C      -3.517329     -1.308837      4.489248
  C      -2.544658     -1.666464      3.351159
  C      -2.520482     -0.618827      2.257937
  O      -3.745427     -0.794640      1.495100
  C      -4.097230     -0.015384      0.456639
  C      -5.089424     -0.541255     -0.368184
  C      -5.559286      0.190084     -1.467964
  N      -5.138295      1.402191     -1.807674
  C      -4.181526      1.950537     -1.006662
  C      -3.728500      3.261052     -1.301359
  C      -2.779638      3.851527     -0.500533
  C      -2.274820      3.124395      0.600904
  N      -2.659529      1.899916      0.916398
  C      -3.604560      1.298948      0.141076
  C      -3.827328      4.717594      4.906474
  C      -5.059670      4.898322      4.012654
  C      -4.645385      5.342955      2.614986
  O      -5.516755      4.920818      1.538630
  C      -6.724097      5.481041      1.395033
  C      -7.321119      6.388047      2.261359
  C      -8.629095      6.842592      1.992684
  N      -9.367558      6.492912      0.951175
  C      -8.779569      5.637785      0.060987
  C      -9.494469      5.251862     -1.099255
  C      -8.896849      4.414491     -2.016145
  C      -7.582794      3.956477     -1.768085
  N      -6.883129      4.278123     -0.691066
  C      -7.461429      5.103587      0.218136
  C      -6.322404      2.104800      7.044168
  C      -6.895382      3.541327      6.989379
  C      -8.265532      3.628550      6.345270
  O      -8.113551      3.192874      4.977696
  C      -9.175446      3.257222      4.156976
  C     -10.415844      3.790738      4.477087
  C     -11.432619      3.795706      3.497749
  N     -11.319058      3.308110      2.273028
  C     -10.107817      2.765179      1.947149
  C      -9.929413      2.197802      0.660929
  C      -8.715845      1.639085      0.328850
  C      -7.671313      1.662600      1.277203
  N      -7.793812      2.176899      2.491881
  C      -8.991853      2.718699      2.839402
  H      -3.617629     -2.176642      5.169348
  H      -4.509409     -1.110466      4.065129
  H      -1.521948     -1.765768      3.749357
  H      -2.813875     -2.645584      2.922600
  H      -1.667286     -0.751897      1.574593
  H      -2.478987      0.395123      2.670645
  H      -5.490238     -1.530658     -0.145512
  H      -6.330437     -0.252954     -2.107288
  H      -4.168982      3.772639     -2.157351
  H      -2.423026      4.863934     -0.695634
  H      -1.521251      3.575590      1.255371
  H      -3.134847      5.566139      4.727119
  H      -4.145900      4.822056      5.966541
  H      -5.738051      5.622885      4.485096
  H      -5.601169      3.943920      3.946002
  H      -3.694383      4.856988      2.360240
  H      -4.518173      6.437724      2.554695
  H      -6.811947      6.740788      3.154525
  H      -9.093649      7.536954      2.701387
  H     -10.507132      5.636750     -1.231325
  H      -9.419673      4.101187     -2.921144
  H      -7.087154      3.280613     -2.473086
  H      -6.618930      1.628865      8.000531
  H      -6.762946      1.514484      6.232271
  H      -6.207140      4.166756      6.403018
  H      -6.956316      3.986070      7.994855
  H      -8.639962      4.665489      6.360250
  H      -9.006866      2.981185      6.846435
  H     -10.622046      4.207610      5.461345
  H     -12.403695      4.230946      3.756466
  H     -10.768339      2.227503     -0.036007
  H      -8.538177      1.203800     -0.654583
  H      -6.692861      1.246551      1.026286
  N      -5.244912      1.563626      3.961441
  H      -6.135121      1.801376      3.477024
100
Coordinates from ORCA-job orca E -6429.526931642783
  N      -3.085001     -0.128700      5.245220
  Mo     -3.963696      1.659254      5.171002
  N      -4.869618      2.067753      6.897561
  C      -4.121649      2.612816      8.022566
  C      -2.765558      1.919301      8.092076
  N      -2.135830      1.950135      6.756778
  C      -1.224430      0.815411      6.513508
  C      -2.022620     -0.435321      6.195875
  C      -1.485300      3.245528      6.457620
  C      -1.705537      3.537003      4.970934
  N      -3.118356      3.478187      4.648065
  H      -1.327436     -1.196439      5.796123
  H      -2.453651     -0.873587      7.120362
  H      -0.615551      1.075451      5.636048
  H      -0.541412      0.653435      7.369375
  H      -1.277514      4.525600      4.715007
  H      -1.159699      2.788568      4.368887
  H      -1.979252      4.025568      7.054314
  H      -0.417756      3.224601      6.747541
  H      -4.665206      2.435001      8.969825
  H      -3.985587      3.711991      7.943808
  H      -2.923548      0.866601      8.366896
  H      -2.108838      2.379300      8.853984
  C      -3.529788     -1.303563      4.495735
  C      -2.566297     -1.667009      3.351862
  C      -2.545567     -0.622005      2.256131
  O      -3.776296     -0.793395      1.501530
  C      -4.123754     -0.017624      0.459403
  C      -5.118163     -0.540800     -0.364431
  C      -5.579270      0.187644     -1.469909
  N      -5.147009      1.394012     -1.816199
  C      -4.188183      1.939629     -1.015639
  C      -3.722615      3.244138     -1.317246
  C      -2.772301      3.831844     -0.516106
  C      -2.278528      3.107889      0.592468
  N      -2.673511      1.888216      0.913329
  C      -3.620328      1.290601      0.137839
  C      -3.829781      4.724333      4.905404
  C      -5.062903      4.901342      4.011619
  C      -4.649499      5.346084      2.613834
  O      -5.514741      4.916014      1.535458
  C      -6.729488      5.460507      1.393398
  C      -7.343305      6.347070      2.269077
  C      -8.653767      6.792083      1.996582
  N      -9.377899      6.455518      0.940798
  C      -8.772913      5.622372      0.041162
  C      -9.468832      5.258771     -1.137760
  C      -8.852780      4.446688     -2.065134
  C      -7.539926      3.990204     -1.808273
  N      -6.856781      4.293267     -0.715331
  C      -7.452790      5.094689      0.203942
  C      -6.317004      2.106083      7.057161
  C      -6.896596      3.540124      7.009829
  C      -8.267783      3.622704      6.368000
  O      -8.112377      3.195853      4.998166
  C      -9.174981      3.251703      4.178037
  C     -10.423164      3.764430      4.501705
  C     -11.440338      3.759335      3.522766
  N     -11.319389      3.281759      2.294819
  C     -10.099422      2.761319      1.964780
  C      -9.910399      2.210964      0.672834
  C      -8.686639      1.678262      0.335124
  C      -7.643386      1.708637      1.284866
  N      -7.775501      2.208430      2.504520
  C      -8.982853      2.726092      2.856603
  H      -3.627655     -2.169079      5.179052
  H      -4.524289     -1.103901      4.077920
  H      -1.541350     -1.769156      3.743522
  H      -2.841801     -2.646161      2.927395
  H      -1.697809     -0.760591      1.567167
  H      -2.496309      0.392855      2.666174
  H      -5.526539     -1.526107     -0.137406
  H      -6.351758     -0.253339     -2.109048
  H      -4.154925      3.753683     -2.178501
  H      -2.406380      4.839940     -0.716114
  H      -1.523811      3.556980      1.247065
  H      -3.139018      5.573982      4.724441
  H      -4.148222      4.829817      5.965392
  H      -5.742536      5.625180      4.483552
  H      -5.602367      3.945701      3.945923
  H      -3.694276      4.867073      2.361862
  H      -4.530206      6.441644      2.552213
  H      -6.845310      6.690580      3.172171
  H      -9.131750      7.469615      2.712603
  H     -10.481759      5.640852     -1.275763
  H      -9.360273      4.152066     -2.985161
  H      -7.029940      3.333679     -2.521240
  H      -6.607430      1.625994      8.013286
  H      -6.758576      1.516301      6.245466
  H      -6.212551      4.171148      6.424729
  H      -6.957771      3.980348      8.017280
  H      -8.648926      4.657049      6.389064
  H      -9.004449      2.967372      6.865667
  H     -10.635446      4.171846      5.488617
  H     -12.418118      4.177388      3.784516
  H     -10.749973      2.231980     -0.023472
  H      -8.501400      1.255413     -0.652365
  H      -6.658371      1.309086      1.031466
  N      -5.248568      1.573629      3.966484
  H      -6.139079      1.811596      3.483411
100
Coordinates from ORCA-job orca E -6429.526926388469
  N      -3.089616     -0.132011      5.248864
  Mo     -3.964531      1.657451      5.168549
  N      -4.868629      2.073634      6.894153
  C      -4.119238      2.621901      8.016623
  C      -2.764248      1.926325      8.088058
  N      -2.135253      1.950437      6.752250
  C      -1.226590      0.812706      6.512849
  C      -2.027599     -0.437493      6.200248
  C      -1.481942      3.243110      6.447502
  C      -1.702599      3.529448      4.959838
  N      -3.115859      3.472797      4.638663
  H      -1.334206     -1.201532      5.802971
  H      -2.459209     -0.871449      7.126506
  H      -0.617674      1.068061      5.634032
  H      -0.543369      0.652403      7.368883
  H      -1.272551      4.516141      4.700008
  H      -1.158965      2.777633      4.360021
  H      -1.973825      4.026566      7.041420
  H      -0.414255      3.220922      6.736810
  H      -4.662596      2.448564      8.964831
  H      -3.981463      3.720543      7.933511
  H      -2.923986      0.875063      8.367314
  H      -2.106222      2.388245      8.847672
  C      -3.534990     -1.307650      4.501061
  C      -2.571019     -1.672624      3.358217
  C      -2.546948     -0.626467      2.263741
  O      -3.777703     -0.793155      1.508138
  C      -4.119641     -0.015352      0.465738
  C      -5.108450     -0.536932     -0.365755
  C      -5.562340      0.194087     -1.472558
  N      -5.127959      1.401315     -1.813137
  C      -4.175174      1.945645     -1.004536
  C      -3.708661      3.251410     -1.299197
  C      -2.765603      3.838234     -0.488898
  C      -2.280003      3.112099      0.621877
  N      -2.675675      1.890967      0.936170
  C      -3.615288      1.294174      0.151336
  C      -3.823468      4.721580      4.893349
  C      -5.058671      4.899762      4.002589
  C      -4.648036      5.332756      2.600343
  O      -5.521349      4.902323      1.528743
  C      -6.733449      5.454007      1.392450
  C      -7.337695      6.343230      2.272039
  C      -8.645977      6.798017      2.005197
  N      -9.376205      6.468913      0.951256
  C      -8.780646      5.632794      0.048064
  C      -9.482718      5.277651     -1.129838
  C      -8.875740      4.462949     -2.060923
  C      -7.566276      3.994438     -1.808363
  N      -6.877624      4.289790     -0.716701
  C      -7.464154      5.094584      0.205597
  C      -6.315894      2.113411      7.054617
  C      -6.895345      3.547309      7.002179
  C      -8.266923      3.627087      6.360932
  O      -8.111688      3.197978      4.991790
  C      -9.175971      3.246856      4.173502
  C     -10.426952      3.751268      4.499390
  C     -11.446182      3.738250      3.522676
  N     -11.324582      3.260329      2.294957
  C     -10.101601      2.748481      1.962639
  C      -9.911622      2.198201      0.670861
  C      -8.684499      1.674997      0.330413
  C      -7.638976      1.714711      1.277379
  N      -7.772134      2.214114      2.497092
  C      -8.982758      2.722213      2.851878
  H      -3.633853     -2.172284      5.185359
  H      -4.529059     -1.107638      4.082404
  H      -1.546732     -1.776907      3.751038
  H      -2.847950     -2.650964      2.932790
  H      -1.699111     -0.766224      1.575143
  H      -2.495333      0.387663      2.675383
  H      -5.517728     -1.523068     -0.144013
  H      -6.330320     -0.245598     -2.118003
  H      -4.134532      3.762585     -2.162700
  H      -2.399239      4.847252     -0.683356
  H      -1.531299      3.560561      1.283776
  H      -3.130885      5.568725      4.707687
  H      -4.138768      4.831745      5.953813
  H      -5.731757      5.631297      4.472262
  H      -5.604659      3.947270      3.945329
  H      -3.696944      4.846183      2.347064
  H      -4.522493      6.427158      2.531400
  H      -6.833898      6.681231      3.174102
  H      -9.116485      7.477624      2.724193
  H     -10.492702      5.668671     -1.264394
  H      -9.387710      4.175551     -2.980822
  H      -7.063503      3.334602     -2.523421
  H      -6.605785      1.637172      8.012822
  H      -6.758311      1.520578      6.245542
  H      -6.211697      4.176157      6.414330
  H      -6.955882      3.991338      8.007995
  H      -8.649427      4.660956      6.380227
  H      -9.002478      2.971753      6.860233
  H     -10.640140      4.157305      5.486659
  H     -12.426366      4.149482      3.786248
  H     -10.753383      2.211468     -0.022948
  H      -8.498551      1.252509     -0.657110
  H      -6.651315      1.323158      1.021535
  N      -5.249382      1.569438      3.964142
  H      -6.140135      1.806175      3.480906
100
Coordinates from ORCA-job orca E -6429.526942311944
  N      -3.087851     -0.128407      5.245339
  Mo     -3.964389      1.660463      5.170884
  N      -4.869426      2.070328      6.897549
  C      -4.120586      2.614574      8.022355
  C      -2.765306      1.919424      8.091544
  N      -2.135813      1.949509      6.756144
  C      -1.225628      0.813851      6.512685
  C      -2.024912     -0.436218      6.194916
  C      -1.484121      3.244202      6.456619
  C      -1.704079      3.535425      4.969829
  N      -3.117010      3.478057      4.647168
  H      -1.330471     -1.197395      5.793947
  H      -2.455363     -0.874959      7.119455
  H      -0.616470      1.073369      5.635265
  H      -0.542686      0.651057      7.368466
  H      -1.275028      4.523474      4.713549
  H      -1.159061      2.786218      4.368007
  H      -1.977466      4.024848      7.053009
  H      -0.416610      3.222426      6.746603
  H      -4.664103      2.437355      8.969752
  H      -3.983311      3.713583      7.943499
  H      -2.924556      0.866886      8.366268
  H      -2.107913      2.378562      8.853399
  C      -3.534826     -1.302612      4.496116
  C      -2.574033     -1.665768      3.349952
  C      -2.552604     -0.618446      2.256486
  O      -3.786610     -0.782350      1.505482
  C      -4.127832     -0.007954      0.460168
  C      -5.120502     -0.529584     -0.366649
  C      -5.574503      0.198271     -1.475509
  N      -5.136500      1.402312     -1.822546
  C      -4.179869      1.946837     -1.018671
  C      -3.709289      3.249542     -1.320369
  C      -2.762282      3.836622     -0.514883
  C      -2.277023      3.113910      0.598270
  N      -2.676466      1.895699      0.919075
  C      -3.619766      1.298572      0.138903
  C      -3.826557      4.725494      4.903237
  C      -5.060523      4.903273      4.010756
  C      -4.648210      5.338960      2.609768
  O      -5.515580      4.903780      1.535243
  C      -6.729339      5.450196      1.392641
  C      -7.342225      6.336856      2.268838
  C      -8.651636      6.784605      1.995681
  N      -9.375405      6.450812      0.938756
  C      -8.771387      5.617161      0.038911
  C      -9.466638      5.256463     -1.141345
  C      -8.851460      4.443588     -2.068647
  C      -7.540384      3.982849     -1.810236
  N      -6.857926      4.283553     -0.716154
  C      -7.452681      5.086329      0.202630
  C      -6.316724      2.109014      7.057947
  C      -6.896268      3.543074      7.011020
  C      -8.267937      3.625273      6.370178
  O      -8.112961      3.199028      5.000103
  C      -9.176734      3.251562      4.181322
  C     -10.425780      3.761408      4.506175
  C     -11.444254      3.752655      3.528618
  N     -11.323663      3.274199      2.300978
  C     -10.102741      2.756704      1.969813
  C      -9.913925      2.205647      0.678142
  C      -8.689133      1.675976      0.339309
  C      -7.644579      1.710261      1.287558
  N      -7.776520      2.210936      2.506876
  C      -8.984884      2.725435      2.860109
  H      -3.631594     -2.168587      5.179019
  H      -4.530130     -1.102146      4.080648
  H      -1.548660     -1.770689      3.739772
  H      -2.852305     -2.643512      2.924026
  H      -1.707634     -0.759157      1.564533
  H      -2.497670      0.395210      2.668744
  H      -5.532795     -1.513255     -0.139608
  H      -6.345709     -0.241408     -2.117095
  H      -4.135161      3.758251     -2.185360
  H      -2.392587      4.843349     -0.714863
  H      -1.525530      3.562827      1.256699
  H      -3.134861      5.573917      4.720207
  H      -4.143736      4.833071      5.963423
  H      -5.735726      5.632862      4.480405
  H      -5.604652      3.949857      3.951077
  H      -3.693832      4.857428      2.359379
  H      -4.528130      6.434005      2.541329
  H      -6.844441      6.677920      3.173046
  H      -9.129015      7.462169      2.712073
  H     -10.478307      5.641476     -1.280476
  H      -9.358250      4.151714     -2.989981
  H      -7.030778      3.324641     -2.521969
  H      -6.606715      1.628962      8.014218
  H      -6.758887      1.519341      6.246474
  H      -6.212729      4.174017      6.425282
  H      -6.956597      3.983479      8.018435
  H      -8.649721      4.659371      6.391815
  H      -9.003912      2.969262      6.867971
  H     -10.637762      4.169163      5.493000
  H     -12.422762      4.168475      3.791216
  H     -10.754709      2.223288     -0.016782
  H      -8.504180      1.252403     -0.647934
  H      -6.658766      1.313260      1.033046
  N      -5.249295      1.575199      3.966260
  H      -6.140978      1.813197      3.485167
100
Coordinates from ORCA-job orca E -6429.526945879363
  N      -3.086549     -0.126015      5.243730
  Mo     -3.963201      1.662840      5.172075
  N      -4.868827      2.069362      6.899216
  C      -4.120272      2.611262      8.025350
  C      -2.764954      1.916052      8.093435
  N      -2.135043      1.949125      6.758323
  C      -1.224360      0.814345      6.512708
  C      -2.023017     -0.435422      6.192073
  C      -1.483805      3.244686      6.461583
  C      -1.703250      3.538613      4.975250
  N      -3.116076      3.481419      4.651964
  H      -1.328248     -1.195129      5.788848
  H      -2.452775     -0.876802      7.115681
  H      -0.614959      1.075940      5.636082
  H      -0.541648      0.649980      7.368375
  H      -1.274368      4.527220      4.720884
  H      -1.157770      2.790636      4.372325
  H      -1.977800      4.023967      7.059213
  H      -0.416407      3.222881      6.752005
  H      -4.663983      2.431993      8.972253
  H      -3.983079      3.710442      7.948833
  H      -2.924198      0.862885      8.365755
  H      -2.107885      2.373587      8.856541
  C      -3.535030     -1.299473      4.494117
  C      -2.576865     -1.661551      3.345437
  C      -2.558956     -0.614279      2.251892
  O      -3.795651     -0.777752      1.505185
  C      -4.135509     -0.006626      0.457049
  C      -5.126169     -0.530535     -0.370652
  C      -5.578163      0.194970     -1.481941
  N      -5.139693      1.398371     -1.830594
  C      -4.185018      1.945010     -1.025804
  C      -3.714037      3.247200     -1.329079
  C      -2.769494      3.836343     -0.522185
  C      -2.287225      3.116278      0.594021
  N      -2.686907      1.898536      0.916205
  C      -3.627549      1.299419      0.134400
  C      -3.826008      4.728310      4.909403
  C      -5.060046      4.906737      4.017205
  C      -4.648040      5.341126      2.615572
  O      -5.513986      4.902990      1.540959
  C      -6.726387      5.451102      1.392743
  C      -7.340704      6.341670      2.263995
  C      -8.648553      6.790512      1.985171
  N      -9.369635      6.454091      0.927255
  C      -8.764117      5.616433      0.032170
  C      -9.456160      5.252774     -1.149070
  C      -8.839165      4.436156     -2.071870
  C      -7.529613      3.974305     -1.807853
  N      -6.850260      4.277674     -0.712537
  C      -7.446640      5.084398      0.201695
  C      -6.316178      2.107270      7.059501
  C      -6.896276      3.541166      7.014561
  C      -8.267949      3.623742      6.373677
  O      -8.112775      3.198931      5.003157
  C      -9.176870      3.250530      4.184677
  C     -10.426295      3.759196      4.509950
  C     -11.444926      3.749945      3.532558
  N     -11.324191      3.271866      2.304768
  C     -10.102957      2.755323      1.973262
  C      -9.914155      2.203976      0.681684
  C      -8.689029      1.675199      0.342588
  C      -7.644191      1.710497      1.290504
  N      -7.776305      2.211085      2.509838
  C      -8.984919      2.724760      2.863341
  H      -3.629810     -2.166133      5.176432
  H      -4.531411     -1.098965      4.081308
  H      -1.550408     -1.765712      3.732633
  H      -2.855513     -2.639447      2.920123
  H      -1.716439     -0.755405      1.557031
  H      -2.502397      0.399464      2.663905
  H      -5.538452     -1.513940     -0.142460
  H      -6.347938     -0.246231     -2.124209
  H      -4.137651      3.753862     -2.196385
  H      -2.399546      4.842753     -0.723280
  H      -1.537987      3.567050      1.253766
  H      -3.134677      5.577274      4.727541
  H      -4.143478      4.834327      5.969683
  H      -5.734004      5.637453      4.486870
  H      -5.605333      3.953907      3.958444
  H      -3.692779      4.860733      2.366445
  H      -4.529738      6.436255      2.545454
  H      -6.845312      6.684970      3.168586
  H      -9.127113      7.471272      2.697738
  H     -10.466763      5.638913     -1.292765
  H      -9.343247      4.142557     -2.994148
  H      -7.018199      3.313035     -2.515465
  H      -6.606100      1.625658      8.015009
  H      -6.757997      1.518666      6.247098
  H      -6.212907      4.173219      6.429780
  H      -6.956850      3.980194      8.022561
  H      -8.649946      4.657742      6.396355
  H      -9.003863      2.967065      6.870674
  H     -10.638436      4.166394      5.496982
  H     -12.423725      4.164898      3.795448
  H     -10.755287      2.220594     -0.012850
  H      -8.504051      1.251586     -0.644639
  H      -6.658075      1.314353      1.035689
  N      -5.247802      1.578993      3.966959
  H      -6.140526      1.817240      3.487725
100
Coordinates from ORCA-job orca E -6429.526948795052
  N      -3.080945     -0.125069      5.242124
  Mo     -3.960631      1.662267      5.172008
  N      -4.869348      2.066485      6.897897
  C      -4.121881      2.605447      8.026259
  C      -2.766692      1.910054      8.094560
  N      -2.134461      1.947559      6.760735
  C      -1.220952      0.815362      6.514256
  C      -2.015806     -0.435422      6.188041
  C      -1.485420      3.244931      6.467376
  C      -1.702866      3.540513      4.981041
  N      -3.115316      3.482094      4.655829
  H      -1.318462     -1.190204      5.779821
  H      -2.442978     -0.883700      7.109535
  H      -0.609285      1.080686      5.640369
  H      -0.540312      0.649932      7.371361
  H      -1.274878      4.529919      4.728423
  H      -1.155702      2.793823      4.378078
  H      -1.982014      4.022269      7.065347
  H      -0.418496      3.224885      6.759701
  H      -4.666689      2.424394      8.972184
  H      -3.984291      3.704710      7.952127
  H      -2.926349      0.855895      8.362871
  H      -2.111178      2.365125      8.860520
  C      -3.530596     -1.298491      4.492935
  C      -2.576069     -1.658742      3.340603
  C      -2.561793     -0.610300      2.248292
  O      -3.804933     -0.767348      1.511073
  C      -4.140155     -0.002230      0.456862
  C      -5.128299     -0.529085     -0.371768
  C      -5.577493      0.193176     -1.486434
  N      -5.138084      1.395409     -1.837570
  C      -4.186505      1.945343     -1.031415
  C      -3.716331      3.247484     -1.336167
  C      -2.776272      3.840325     -0.526719
  C      -2.298147      3.124220      0.593855
  N      -2.697358      1.906720      0.917611
  C      -3.632700      1.303591      0.132485
  C      -3.826250      4.728142      4.914573
  C      -5.061791      4.906393      4.024828
  C      -4.653853      5.338227      2.621010
  O      -5.519375      4.892746      1.549063
  C      -6.732540      5.438727      1.398871
  C      -7.351986      6.323832      2.272093
  C      -8.660841      6.769014      1.992118
  N      -9.378452      6.434023      0.931402
  C      -8.767882      5.602085      0.034432
  C      -9.456162      5.239893     -1.149446
  C      -8.834257      4.428861     -2.073860
  C      -7.523176      3.971692     -1.809443
  N      -6.847338      4.273718     -0.711424
  C      -7.448744      5.074415      0.204676
  C      -6.316758      2.107322      7.055792
  C      -6.892547      3.543057      7.013865
  C      -8.262934      3.631317      6.370891
  O      -8.107196      3.206972      5.000272
  C      -9.169935      3.263286      4.180240
  C     -10.415158      3.784736      4.501352
  C     -11.431960      3.781510      3.522028
  N     -11.313262      3.298181      2.296070
  C     -10.096531      2.768335      1.969014
  C      -9.910280      2.210878      0.679647
  C      -8.690079      1.667666      0.345697
  C      -7.647257      1.695082      1.296115
  N      -7.776932      2.201813      2.513174
  C      -8.980793      2.729801      2.861651
  H      -3.621144     -2.165961      5.174819
  H      -4.528947     -1.099463      4.084311
  H      -1.548185     -1.762561      3.724180
  H      -2.855915     -2.636266      2.915246
  H      -1.724912     -0.754263      1.547169
  H      -2.498280      0.402683      2.661161
  H      -5.541060     -1.511835     -0.141630
  H      -6.345529     -0.249955     -2.129458
  H      -4.136809      3.751040     -2.206916
  H      -2.406837      4.846685     -0.729035
  H      -1.553495      3.578467      1.256433
  H      -3.135935      5.577897      4.732797
  H      -4.142750      4.832460      5.975378
  H      -5.733487      5.638723      4.495299
  H      -5.608406      3.954146      3.969173
  H      -3.696546      4.861876      2.372076
  H      -4.541422      6.433679      2.547028
  H      -6.860208      6.664625      3.179548
  H      -9.143492      7.445204      2.706279
  H     -10.468160      5.622198     -1.293575
  H      -9.335607      4.136264     -2.997937
  H      -7.006560      3.315093     -2.517641
  H      -6.609797      1.623753      8.009370
  H      -6.758737      1.522510      6.240689
  H      -6.206329      4.174713      6.431890
  H      -6.953495      3.979731      8.022861
  H      -8.640999      4.666768      6.393770
  H      -9.002157      2.977024      6.866101
  H     -10.624889      4.198493      5.486166
  H     -12.407198      4.206944      3.781374
  H     -10.749321      2.234482     -0.017244
  H      -8.507061      1.238823     -0.639657
  H      -6.664848      1.287908      1.044885
  N      -5.244951      1.576595      3.966312
  H      -6.141409      1.813897      3.493462
100
Coordinates from ORCA-job orca E -6429.526954910222
  N      -3.084821     -0.122893      5.241917
  Mo     -3.961277      1.665972      5.171664
  N      -4.869670      2.070570      6.897714
  C      -4.122032      2.608756      8.026310
  C      -2.767498      1.912038      8.094645
  N      -2.135135      1.948548      6.760868
  C      -1.223468      0.814846      6.514282
  C      -2.020420     -0.434701      6.188267
  C      -1.484061      3.244981      6.467733
  C      -1.700525      3.540952      4.981365
  N      -3.112873      3.484446      4.655397
  H      -1.324412     -1.191055      5.780732
  H      -2.448753     -0.881630      7.109886
  H      -0.611615      1.079181      5.640217
  H      -0.542900      0.648345      7.371246
  H      -1.271033      4.529769      4.728947
  H      -1.154086      2.793563      4.378616
  H      -1.979754      4.023032      7.065534
  H      -0.417268      3.223377      6.760419
  H      -4.667158      2.427721      8.972057
  H      -3.983657      3.707951      7.952578
  H      -2.928357      0.858111      8.363120
  H      -2.111492      2.366454      8.860562
  C      -3.536663     -1.295755      4.493133
  C      -2.582974     -1.658400      3.340881
  C      -2.566207     -0.610076      2.248429
  O      -3.809998     -0.763517      1.511289
  C      -4.142293      0.001240      0.455765
  C      -5.130485     -0.524439     -0.373557
  C      -5.576615      0.197439     -1.489726
  N      -5.133906      1.398162     -1.841910
  C      -4.181752      1.946761     -1.035496
  C      -3.707658      3.247119     -1.341821
  C      -2.767016      3.838747     -0.532181
  C      -2.292269      3.123198      0.590147
  N      -2.695031      1.907244      0.915284
  C      -3.631117      1.305357      0.130095
  C      -3.822311      4.731674      4.912398
  C      -5.056552      4.910889      4.020943
  C      -4.646212      5.338964      2.616733
  O      -5.512676      4.893692      1.545547
  C      -6.724639      5.442271      1.395552
  C      -7.340484      6.330974      2.267621
  C      -8.648433      6.779216      1.988314
  N      -9.368570      6.443307      0.929607
  C      -8.761768      5.607069      0.034063
  C      -9.453262      5.242816     -1.147293
  C      -8.835312      4.427027     -2.070175
  C      -7.525107      3.966925     -1.806526
  N      -6.846369      4.270708     -0.710800
  C      -7.443763      5.076340      0.203625
  C      -6.317134      2.108261      7.056926
  C      -6.897051      3.542372      7.015999
  C      -8.268469      3.626741      6.374702
  O      -8.112885      3.203740      5.003679
  C      -9.177021      3.254740      4.185108
  C     -10.425632      3.766357      4.508843
  C     -11.443669      3.757462      3.530800
  N     -11.323095      3.277153      2.303838
  C     -10.102866      2.757077      1.974148
  C      -9.914278      2.202813      0.683743
  C      -8.690298      1.669835      0.347049
  C      -7.646225      1.704182      1.295883
  N      -7.778174      2.207718      2.513998
  C      -8.985642      2.725484      2.865175
  H      -3.629114     -2.162706      5.175427
  H      -4.534550     -1.094820      4.084314
  H      -1.555368     -1.764711      3.724506
  H      -2.865159     -2.635340      2.915689
  H      -1.729947     -0.756428      1.547066
  H      -2.499694      0.402665      2.661267
  H      -5.545846     -1.505928     -0.142702
  H      -6.344843     -0.244743     -2.133168
  H      -4.125714      3.750411     -2.213865
  H      -2.394692      4.843821     -0.735583
  H      -1.547043      3.576413      1.252781
  H      -3.130691      5.580356      4.730495
  H      -4.139852      4.837630      5.972715
  H      -5.726934      5.645919      4.489214
  H      -5.605516      3.959925      3.966523
  H      -3.690044      4.859631      2.369178
  H      -4.531031      6.433988      2.540762
  H      -6.846476      6.672490      3.173685
  H      -9.128193      7.458504      2.701485
  H     -10.464433      5.627510     -1.290874
  H      -9.339132      4.132946     -2.992433
  H      -7.011876      3.306412     -2.513541
  H      -6.607962      1.623794      8.010720
  H      -6.758502      1.522318      6.242327
  H      -6.213320      4.176203      6.433577
  H      -6.958189      3.978493      8.025228
  H      -8.649802      4.660962      6.398787
  H      -9.005020      2.969750      6.870314
  H     -10.637366      4.176011      5.494936
  H     -12.421751      4.174989      3.792280
  H     -10.754592      2.220748     -0.011778
  H      -8.505409      1.243969     -0.639246
  H      -6.660893      1.305283      1.042595
  N      -5.244878      1.582201      3.965149
  H      -6.140854      1.820250      3.491754
100
Coordinates from ORCA-job orca E -6429.526956020130
  N      -3.085834     -0.124755      5.242382
  Mo     -3.962079      1.664170      5.170994
  N      -4.868932      2.070377      6.897440
  C      -4.120416      2.609761      8.024891
  C      -2.765760      1.913236      8.092814
  N      -2.134679      1.948372      6.758386
  C      -1.223376      0.814331      6.511998
  C      -2.020899     -0.435485      6.188522
  C      -1.483895      3.244563      6.463451
  C      -1.701823      3.539469      4.977076
  N      -3.114413      3.482347      4.652270
  H      -1.325479     -1.192818      5.781856
  H      -2.448873     -0.880665      7.111160
  H      -0.612764      1.077616      5.636744
  H      -0.541659      0.648806      7.368242
  H      -1.272807      4.528238      4.723650
  H      -1.155673      2.791884      4.374300
  H      -1.979044      4.023068      7.061122
  H      -0.416809      3.223261      6.755097
  H      -4.664809      2.429702      8.971242
  H      -3.982139      3.708879      7.949879
  H      -2.926275      0.859624      8.362705
  H      -2.109066      2.368628      8.857556
  C      -3.537370     -1.298137      4.494243
  C      -2.582699     -1.661929      3.343189
  C      -2.564074     -0.613823      2.250542
  O      -3.807043     -0.766565      1.511812
  C      -4.138617      0.000243      0.457558
  C      -5.125551     -0.524125     -0.374076
  C      -5.570966      0.200082     -1.489043
  N      -5.128674      1.401950     -1.837909
  C      -4.177270      1.948959     -1.029476
  C      -3.703164      3.250046     -1.332624
  C      -2.762923      3.839901     -0.521217
  C      -2.288567      3.121804      0.599634
  N      -2.691449      1.905116      0.921890
  C      -3.627300      1.305052      0.135058
  C      -3.824368      4.729216      4.909477
  C      -5.059011      4.907790      4.018344
  C      -4.649203      5.337771      2.614549
  O      -5.516091      4.894235      1.542860
  C      -6.728183      5.442906      1.393818
  C      -7.342764      6.332764      2.265620
  C      -8.650421      6.782091      1.986737
  N      -9.371276      6.446467      0.928435
  C      -8.765581      5.609389      0.032932
  C      -9.457562      5.246265     -1.148467
  C      -8.840463      4.430353     -2.071795
  C      -7.530755      3.968771     -1.808328
  N      -6.851526      4.271398     -0.712603
  C      -7.448075      5.077254      0.202250
  C      -6.316271      2.109231      7.057320
  C      -6.895028      3.543750      7.014654
  C      -8.266525      3.628642      6.373654
  O      -8.111860      3.204179      5.002991
  C      -9.176369      3.255321      4.184948
  C     -10.425030      3.766168      4.509640
  C     -11.443900      3.756438      3.532461
  N     -11.324166      3.275774      2.305571
  C     -10.103849      2.756563      1.974868
  C      -9.916214      2.201612      0.684639
  C      -8.692056      1.669802      0.346771
  C      -7.646913      1.705923      1.294341
  N      -7.778042      2.209785      2.512397
  C      -8.985681      2.726315      2.864772
  H      -3.630941     -2.164444      5.177205
  H      -4.534714     -1.097034      4.084182
  H      -1.555586     -1.768898      3.727932
  H      -2.865100     -2.638835      2.918049
  H      -1.727121     -0.760647      1.550123
  H      -2.497516      0.398904      2.663431
  H      -5.540662     -1.506342     -0.145881
  H      -6.338264     -0.241051     -2.134310
  H      -4.120881      3.755308     -2.203664
  H      -2.390603      4.845471     -0.722143
  H      -1.543366      3.573404      1.263389
  H      -3.133323      5.578331      4.727352
  H      -4.141679      4.835093      5.969869
  H      -5.729984      5.641740      4.487428
  H      -5.607055      3.956354      3.963102
  H      -3.693230      4.858613      2.365916
  H      -4.533732      6.432880      2.540187
  H      -6.847875      6.674686      3.171023
  H      -9.129107      7.462355      2.699697
  H     -10.468290      5.632177     -1.291891
  H      -9.344666      4.137174     -2.994132
  H      -7.018543      3.308342     -2.516138
  H      -6.606924      1.626274      8.011931
  H      -6.758433      1.522439      6.243774
  H      -6.210852      4.176326      6.431341
  H      -6.955578      3.981124      8.023385
  H      -8.646894      4.663236      6.396899
  H      -9.003510      2.972846      6.870203
  H     -10.636360      4.175435      5.495990
  H     -12.422070      4.173238      3.794766
  H     -10.757391      2.218058     -0.009857
  H      -8.507920      1.243414     -0.639432
  H      -6.661416      1.307891      1.040250
  N      -5.246286      1.579044      3.965275
  H      -6.142605      1.815873      3.492029
100
Coordinates from ORCA-job orca E -6429.526957201626
  N      -3.085096     -0.123593      5.241844
  Mo     -3.960946      1.665508      5.170314
  N      -4.868744      2.071344      6.896305
  C      -4.120714      2.610065      8.024419
  C      -2.766179      1.913306      8.092736
  N      -2.134336      1.948926      6.758689
  C      -1.222941      0.814970      6.512330
  C      -2.020286     -0.434727      6.187969
  C      -1.483336      3.245192      6.464545
  C      -1.700381      3.540586      4.978147
  N      -3.112793      3.483637      4.652530
  H      -1.324702     -1.191724      5.780963
  H      -2.448361     -0.880554      7.110252
  H      -0.611827      1.078592      5.637530
  H      -0.541681      0.649100      7.368874
  H      -1.271187      4.529415      4.725269
  H      -1.153946      2.793163      4.375431
  H      -1.978781      4.023518      7.062204
  H      -0.416412      3.223779      6.756787
  H      -4.665600      2.429625      8.970410
  H      -3.982272      3.709197      7.949984
  H      -2.927029      0.859588      8.362012
  H      -2.109865      2.368216      8.858094
  C      -3.537615     -1.297151      4.494495
  C      -2.583679     -1.662386      3.343287
  C      -2.565070     -0.615199      2.249798
  O      -3.809168     -0.767005      1.512760
  C      -4.140218     -0.001134      0.457630
  C      -5.126061     -0.526420     -0.374657
  C      -5.571187      0.197288     -1.490105
  N      -5.129523      1.399422     -1.838803
  C      -4.179102      1.947266     -1.029745
  C      -3.705788      3.248676     -1.332686
  C      -2.766581      3.839325     -0.520634
  C      -2.292512      3.121705      0.600643
  N      -2.694732      1.904747      0.922752
  C      -3.629533      1.303922      0.135272
  C      -3.822855      4.730415      4.909898
  C      -5.057501      4.909031      4.018806
  C      -4.647916      5.339442      2.615099
  O      -5.514843      4.895679      1.543547
  C      -6.727335      5.443646      1.395211
  C      -7.341994      6.332921      2.267549
  C      -8.649991      6.781695      1.989392
  N      -9.371120      6.446039      0.931280
  C      -8.765420      5.609441      0.035327
  C      -9.457792      5.246230     -1.145810
  C      -8.840768      4.430738     -2.069567
  C      -7.530671      3.969838     -1.806857
  N      -6.851014      4.272592     -0.711434
  C      -7.447574      5.077883      0.203913
  C      -6.316145      2.109490      7.055825
  C      -6.895629      3.543714      7.013655
  C      -8.267035      3.628114      6.372415
  O      -8.112010      3.203419      5.001892
  C      -9.176268      3.254511      4.183535
  C     -10.424861      3.765909      4.507591
  C     -11.443314      3.756341      3.529970
  N     -11.323163      3.275591      2.303154
  C     -10.102862      2.755966      1.973034
  C      -9.914568      2.201508      0.682695
  C      -8.690354      1.669452      0.345384
  C      -7.645867      1.704650      1.293709
  N      -7.777567      2.208195      2.511841
  C      -8.985193      2.725206      2.863543
  H      -3.631469     -2.162960      5.178060
  H      -4.534977     -1.095687      4.084694
  H      -1.556400     -1.769572      3.727527
  H      -2.866858     -2.639501      2.919152
  H      -1.729206     -0.763675      1.548417
  H      -2.496825      0.397775      2.661830
  H      -5.540586     -1.508926     -0.146635
  H      -6.337620     -0.244530     -2.135930
  H      -4.123275      3.753545     -2.204059
  H      -2.394860      4.845147     -0.721403
  H      -1.548143      3.573928      1.264909
  H      -3.131857      5.579619      4.728017
  H      -4.140285      4.836025      5.970274
  H      -5.728582      5.642760      4.488098
  H      -5.605401      3.957530      3.963321
  H      -3.691797      4.860707      2.366227
  H      -4.532916      6.434608      2.540920
  H      -6.846872      6.674832      3.172847
  H      -9.128669      7.461564      2.702734
  H     -10.468809      5.631609     -1.288628
  H      -9.345390      4.137277     -2.991589
  H      -7.018487      3.310009     -2.515243
  H      -6.606799      1.625947      8.010136
  H      -6.757824      1.522857      6.241896
  H      -6.211665      4.176941      6.430803
  H      -6.956705      3.980628      8.022559
  H      -8.647624      4.662636      6.395414
  H      -9.003950      2.972248      6.868977
  H     -10.636408      4.175635      5.493710
  H     -12.421426      4.173607      3.791751
  H     -10.755255      2.218556     -0.012374
  H      -8.505730      1.243368     -0.640863
  H      -6.660400      1.306181      1.040199
  N      -5.244546      1.580424      3.963879
  H      -6.141404      1.817183      3.491634
100
Coordinates from ORCA-job orca E -6429.526958965136
  N      -3.084853     -0.122015      5.240380
  Mo     -3.960182      1.667299      5.169417
  N      -4.868549      2.072075      6.895247
  C      -4.120706      2.609247      8.024271
  C      -2.766278      1.912221      8.092199
  N      -2.134021      1.949302      6.758417
  C      -1.222424      0.815758      6.511075
  C      -2.019454     -0.433849      6.185558
  C      -1.483216      3.245986      6.465704
  C      -1.699623      3.542663      4.979485
  N      -3.111837      3.485590      4.653010
  H      -1.323742     -1.190023      5.777244
  H      -2.446892     -0.881091      7.107467
  H      -0.611280      1.080310      5.636578
  H      -0.541166      0.649230      7.367496
  H      -1.270592      4.531831      4.727667
  H      -1.152681      2.795939      4.376368
  H      -1.979093      4.023643      7.063871
  H      -0.416401      3.224623      6.758373
  H      -4.665879      2.427785      8.969894
  H      -3.982095      3.708430      7.951128
  H      -2.927364      0.858207      8.360172
  H      -2.110202      2.366169      8.858341
  C      -3.539400     -1.295631      4.494220
  C      -2.587146     -1.663241      3.342384
  C      -2.567622     -0.616802      2.248238
  O      -3.814394     -0.764163      1.514712
  C      -4.142845      0.000254      0.457572
  C      -5.127714     -0.525079     -0.375715
  C      -5.571334      0.198448     -1.491965
  N      -5.128777      1.400244     -1.840574
  C      -4.178942      1.948008     -1.030714
  C      -3.704768      3.249099     -1.333633
  C      -2.766372      3.839731     -0.520587
  C      -2.294162      3.122469      0.601686
  N      -2.697332      1.905817      0.923847
  C      -3.631156      1.304936      0.135263
  C      -3.822453      4.731997      4.910760
  C      -5.056742      4.910747      4.019212
  C      -4.646725      5.341556      2.615768
  O      -5.512735      4.896836      1.543887
  C      -6.725904      5.443230      1.395419
  C      -7.341823      6.331618      2.267768
  C      -8.650355      6.778756      1.989515
  N      -9.370975      6.442106      0.931356
  C      -8.764174      5.606137      0.035553
  C      -9.456194      5.241580     -1.145372
  C      -8.838174      4.426581     -2.068917
  C      -7.527390      3.967618     -1.806215
  N      -6.848049      4.271541     -0.710942
  C      -7.445622      5.076328      0.204196
  C      -6.315976      2.109503      7.054843
  C      -6.895988      3.543540      7.014343
  C      -8.267400      3.628195      6.373126
  O      -8.112428      3.203470      5.002646
  C      -9.176547      3.254831      4.184125
  C     -10.424997      3.766837      4.507727
  C     -11.443182      3.757413      3.529802
  N     -11.322893      3.276309      2.303136
  C     -10.102689      2.756175      1.973444
  C      -9.914123      2.201413      0.683275
  C      -8.689979      1.668813      0.346517
  C      -7.645853      1.703717      1.295241
  N      -7.777822      2.207507      2.513246
  C      -8.985343      2.725125      2.864331
  H      -3.633741     -2.160746      5.178612
  H      -4.536844     -1.093182      4.085169
  H      -1.559621     -1.772012      3.725542
  H      -2.872586     -2.640170      2.919324
  H      -1.734352     -0.769016      1.544540
  H      -2.494543      0.396100      2.659550
  H      -5.542928     -1.507320     -0.147790
  H      -6.337196     -0.243280     -2.138529
  H      -4.120972      3.753778     -2.205739
  H      -2.393966      4.845309     -0.721318
  H      -1.550634      3.574754      1.266855
  H      -3.131650      5.581528      4.729695
  H      -4.140480      4.836884      5.971026
  H      -5.728053      5.644339      4.488425
  H      -5.604528      3.959228      3.963216
  H      -3.690068      4.863704      2.367320
  H      -4.532774      6.436827      2.541618
  H      -6.847256      6.674029      3.173203
  H      -9.129952      7.458004      2.702827
  H     -10.467772      5.625495     -1.288173
  H      -9.342637      4.131910     -2.990633
  H      -7.014489      3.308296     -2.514571
  H      -6.606393      1.624699      8.008580
  H      -6.757446      1.523655      6.240236
  H      -6.212219      4.177770      6.432361
  H      -6.957391      3.979257      8.023753
  H      -8.647693      4.662829      6.396160
  H      -9.004476      2.972523      6.869704
  H     -10.636622      4.177016      5.493638
  H     -12.421208      4.175108      3.791220
  H     -10.754475      2.218737     -0.012203
  H      -8.505105      1.242607     -0.639634
  H      -6.660396      1.305000      1.042159
  N      -5.243326      1.581835      3.962361
  H      -6.142013      1.817736      3.493102
100
Coordinates from ORCA-job orca E -6429.526959301258
  N      -3.084632     -0.121465      5.239839
  Mo     -3.959442      1.668057      5.168554
  N      -4.868133      2.072807      6.894140
  C      -4.120496      2.609648      8.023480
  C      -2.766093      1.912581      8.091556
  N      -2.133631      1.949837      6.757888
  C      -1.222092      0.816276      6.510411
  C      -2.019163     -0.433318      6.184922
  C      -1.482739      3.246558      6.465495
  C      -1.698878      3.543591      4.979303
  N      -3.110988      3.486362      4.652438
  H      -1.323485     -1.189513      5.776594
  H      -2.446573     -0.880568      7.106848
  H      -0.611074      1.080849      5.635829
  H      -0.540712      0.649713      7.366731
  H      -1.269947      4.532899      4.727856
  H      -1.151673      2.797133      4.376094
  H      -1.978674      4.024098      7.063769
  H      -0.415959      3.225127      6.758302
  H      -4.665877      2.427976      8.968940
  H      -3.981849      3.708839      7.950618
  H      -2.927210      0.858541      8.359396
  H      -2.110167      2.366458      8.857868
  C      -3.540268     -1.295355      4.494723
  C      -2.588668     -1.664789      3.342974
  C      -2.568121     -0.619072      2.248172
  O      -3.815495     -0.764833      1.515265
  C      -4.143041     -0.000289      0.457901
  C      -5.127466     -0.525283     -0.376088
  C      -5.570189      0.198474     -1.492562
  N      -5.127099      1.400196     -1.840735
  C      -4.177660      1.947652     -1.030166
  C      -3.703037      3.248681     -1.332610
  C      -2.765160      3.839066     -0.518767
  C      -2.293964      3.121632      0.603803
  N      -2.697522      1.904972      0.925480
  C      -3.630818      1.304317      0.136115
  C      -3.822056      4.732482      4.910452
  C      -5.056539      4.910787      4.019015
  C      -4.646754      5.342889      2.615933
  O      -5.512639      4.898821      1.543673
  C      -6.726331      5.444235      1.395951
  C      -7.342387      6.332335      2.268497
  C      -8.651207      6.778876      1.990660
  N      -9.371889      6.442132      0.932566
  C      -8.764960      5.606501      0.036538
  C      -9.456992      5.242069     -1.144430
  C      -8.838884      4.427340     -2.068159
  C      -7.528019      3.968519     -1.805553
  N      -6.848596      4.272456     -0.710365
  C      -7.446243      5.077021      0.204934
  C      -6.315588      2.109766      7.053730
  C      -6.896020      3.543637      7.013638
  C      -8.267542      3.628034      6.372592
  O      -8.112782      3.202842      5.002260
  C      -9.176905      3.254287      4.183769
  C     -10.425287      3.766502      4.507278
  C     -11.443520      3.756827      3.529393
  N     -11.323288      3.275436      2.302835
  C     -10.103086      2.755259      1.973195
  C      -9.914378      2.200634      0.682998
  C      -8.690169      1.668131      0.346266
  C      -7.646150      1.702879      1.295112
  N      -7.778228      2.206659      2.513114
  C      -8.985753      2.724326      2.864080
  H      -3.635281     -2.159799      5.179873
  H      -4.537567     -1.092292      4.085654
  H      -1.561155     -1.774516      3.725894
  H      -2.875336     -2.641692      2.920675
  H      -1.735546     -0.773227      1.544056
  H      -2.493167      0.393955      2.658776
  H      -5.542987     -1.507502     -0.148623
  H      -6.335683     -0.243022     -2.139719
  H      -4.118533      3.753547     -2.204938
  H      -2.392434      4.844602     -0.719116
  H      -1.550899      3.573728      1.269615
  H      -3.131560      5.582282      4.729445
  H      -4.140001      4.837106      5.970753
  H      -5.728615      5.643368      4.488662
  H      -5.603376      3.958741      3.962293
  H      -3.690026      4.865418      2.367023
  H      -4.532957      6.438246      2.542717
  H      -6.847629      6.675097      3.173692
  H      -9.130884      7.457907      2.704121
  H     -10.468659      5.625810     -1.287058
  H      -9.343372      4.132671     -2.989863
  H      -7.015289      3.309345     -2.514169
  H      -6.605823      1.624580      8.007323
  H      -6.756873      1.524021      6.238953
  H      -6.212510      4.178229      6.431743
  H      -6.957504      3.979103      8.023154
  H      -8.647829      4.662679      6.395300
  H      -9.004531      2.972555      6.869555
  H     -10.636818      4.177102      5.493037
  H     -12.421516      4.174630      3.790747
  H     -10.754670      2.217902     -0.012546
  H      -8.505235      1.241949     -0.639883
  H      -6.660705      1.303957      1.042232
  N      -5.242182      1.582273      3.961018
  H      -6.141498      1.817840      3.492753
