73
Coordinates from ORCA-job orca E -7352.153404927442
  N      -3.299990     -4.104629      1.780195
  C      -3.805971     -4.923889      0.696654
  C      -4.047198     -6.320856      1.264270
  N      -3.179782     -6.455892      2.441457
  C      -3.472423     -7.712695      3.169925
  C      -4.047856     -7.352752      4.542140
  N      -4.658109     -6.052812      4.369625
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  N      -1.859007     -5.276228      4.195996
  C      -0.974374     -6.036384      3.330942
  C      -1.752913     -6.408094      2.069950
  H      -0.641960     -6.934242      3.864955
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  H      -5.088489     -6.437036      1.586035
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  C      -2.383500     -2.492724      0.129391
  C      -1.766638     -1.277312     -0.038991
  C      -1.465885     -0.462349      1.058583
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  C      -2.315720     -2.152338      2.541662
  N      -2.714241     -2.643529      3.748529
  C      -2.208023     -2.084639      4.856416
  C      -0.859435     -1.720137      5.069671
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  Cl      0.283872     -2.552045      3.950826
  C      -5.918643     -5.829973      4.810057
  C      -6.736010     -6.674983      5.579240
  C      -8.020413     -6.287734      5.882295
  C      -8.534345     -5.074283      5.419524
  C      -7.746495     -4.216940      4.685565
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  N      -5.522678     -3.818240      3.666224
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  C      -5.398691     -1.741090      2.431255
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  C      -0.170902     -5.439020      5.985639
  C       0.128735     -5.152284      7.292352
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  C      -2.051452     -4.198174      7.652830
  C      -2.415018     -4.538626      6.334732
  N      -3.605301     -4.253288      5.746051
  C      -4.668710     -3.915364      6.484581
  C      -4.999503     -4.499897      7.734761
  O      -4.572023     -5.461593      8.310211
  Cl     -6.441770     -3.651290      8.442770
  H      -2.655799     -3.064241     -0.741288
  H      -1.539946     -0.926673     -1.033690
  H      -1.029768      0.511791      0.900591
  H      -1.571633     -0.234903      3.180755
  H      -2.861130     -1.933994      5.717978
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  H      -8.644805     -6.936482      6.476619
  H      -9.556260     -4.807456      5.637750
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  H       0.584869     -5.871797      5.352651
  H       1.106249     -5.389709      7.682103
  H      -0.523285     -4.234590      9.125438
  H      -2.748483     -3.655222      8.269629
  H      -5.370178     -3.204046      6.080453
  N      -5.018756     -5.389362      2.286559
  N      -5.967793     -5.935448      1.382391
73
Coordinates from ORCA-job orca E -7352.211243445710
  N      -3.271416     -4.097893      1.745319
  C      -3.771729     -4.920424      0.653179
  C      -4.040933     -6.324694      1.233751
  N      -3.163551     -6.470200      2.428251
  C      -3.462760     -7.728386      3.168721
  C      -4.045238     -7.364121      4.544510
  N      -4.669313     -6.063919      4.377005
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  N      -1.843576     -5.290675      4.195500
  C      -0.956063     -6.057945      3.328908
  C      -1.727785     -6.428825      2.062587
  H      -0.628030     -6.958325      3.866417
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  H      -1.401310     -7.401556      1.673657
  H      -1.548613     -5.683348      1.284898
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  H      -3.048462     -4.965765     -0.174843
  H      -4.691437     -4.463598      0.269621
  H      -3.812538     -7.100692      0.484791
  H      -5.131176     -6.444330      1.564572
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  C      -2.327021     -2.493649      0.095673
  C      -1.703396     -1.276679     -0.074393
  C      -1.411824     -0.455662      1.026292
  C      -1.710826     -0.872318      2.304885
  C      -2.283433     -2.142388      2.512328
  N      -2.693006     -2.635751      3.727943
  C      -2.181506     -2.073969      4.846760
  C      -0.829023     -1.707256      5.087374
  O      -0.379661     -1.047655      5.999001
  Cl      0.368407     -2.524637      3.990914
  C      -5.931762     -5.836921      4.826034
  C      -6.740015     -6.687613      5.601699
  C      -8.028245     -6.303772      5.919834
  C      -8.549289     -5.087733      5.463442
  C      -7.765452     -4.223987      4.720897
  C      -6.439944     -4.571110      4.420841
  N      -5.550190     -3.801113      3.674024
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  C      -5.552581     -1.675243      2.452826
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  C       0.138410     -5.168542      7.311662
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  C      -2.045929     -4.201197      7.664000
  C      -2.408858     -4.542724      6.343320
  N      -3.607333     -4.249072      5.748348
  C      -4.682219     -3.900165      6.481921
  C      -5.033782     -4.483376      7.732580
  O      -4.612867     -5.453971      8.314752
  Cl     -6.481960     -3.616585      8.429509
  H      -2.595921     -3.073320     -0.776999
  H      -1.465624     -0.930476     -1.073614
  H      -0.969785      0.521282      0.868726
  H      -1.538103     -0.219602      3.152946
  H      -2.842872     -1.923810      5.701100
  H      -6.361756     -7.633586      5.967215
  H      -8.647708     -6.958771      6.521424
  H      -9.574284     -4.821409      5.692253
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  H       0.596784     -5.896165      5.364746
  H       1.118890     -5.410670      7.705194
  H      -0.516314     -4.240799      9.147823
  H      -2.744562     -3.651813      8.280896
  H      -5.376347     -3.182576      6.068137
  N      -5.050278     -5.388925      2.264333
  N      -6.030477     -5.922286      1.356869
73
Coordinates from ORCA-job orca E -7352.252312286229
  N      -3.256654     -4.085638      1.713609
  C      -3.751481     -4.915203      0.618511
  C      -4.041269     -6.323163      1.209412
  N      -3.152862     -6.480412      2.418668
  C      -3.456084     -7.740827      3.168340
  C      -4.045908     -7.379578      4.548269
  N      -4.686644     -6.082584      4.389354
  Mo     -3.597643     -4.575280      3.623739
  N      -1.830009     -5.303602      4.200190
  C      -0.941491     -6.073648      3.329145
  C      -1.710008     -6.441569      2.058533
  H      -0.614612     -6.976481      3.867205
  H      -0.052040     -5.476839      3.076807
  H      -1.382485     -7.416184      1.669227
  H      -1.531281     -5.694849      1.280903
  H      -4.764868     -8.141309      4.867850
  H      -3.255306     -7.312624      5.311072
  H      -4.189645     -8.328863      2.603392
  H      -2.548012     -8.341384      3.283592
  H      -3.019755     -4.964555     -0.206779
  H      -4.670126     -4.462722      0.225435
  H      -3.821030     -7.102737      0.456407
  H      -5.184879     -6.449498      1.549430
  C      -2.621969     -2.924954      1.369927
  C      -2.304017     -2.477322      0.070090
  C      -1.680811     -1.254528     -0.098160
  C      -1.396475     -0.432453      1.007798
  C      -1.701877     -0.852839      2.288108
  C      -2.273234     -2.125987      2.491073
  N      -2.685933     -2.626290      3.713085
  C      -2.169048     -2.061501      4.837870
  C      -0.815943     -1.686665      5.089703
  O      -0.389756     -1.024118      6.014651
  Cl      0.416658     -2.480183      3.992091
  C      -5.952079     -5.848178      4.841006
  C      -6.754769     -6.702794      5.619774
  C      -8.047271     -6.321494      5.946618
  C      -8.572901     -5.103689      5.493531
  C      -7.791018     -4.234137      4.745133
  C      -6.466049     -4.577609      4.438345
  N      -5.576248     -3.791571      3.682173
  C      -5.906593     -2.476627      3.565865
  C      -5.562358     -1.672585      2.451483
  O      -5.181605     -1.993512      1.341772
  Cl     -5.864367      0.092249      2.800469
  C      -1.424322     -5.133663      5.491481
  C      -0.154096     -5.469849      6.013764
  C       0.146011     -5.179331      7.330229
  C      -0.789534     -4.523072      8.155564
  C      -2.043088     -4.204760      7.677279
  C      -2.404782     -4.547271      6.355487
  N      -3.610932     -4.247481      5.759673
  C      -4.689433     -3.890950      6.494397
  C      -5.047674     -4.475425      7.746583
  O      -4.624731     -5.452341      8.328297
  Cl     -6.496714     -3.595977      8.446870
  H      -2.570664     -3.061760     -0.804925
  H      -1.439297     -0.906806     -1.100176
  H      -0.954651      0.549249      0.853678
  H      -1.533714     -0.199402      3.140074
  H      -2.832533     -1.918114      5.690857
  H      -6.369035     -7.651125      5.982636
  H      -8.663704     -6.981399      6.552740
  H      -9.600654     -4.837718      5.728272
  H      -8.215549     -3.306652      4.371194
  H      -6.554613     -2.023293      4.314950
  H       0.605328     -5.912700      5.376624
  H       1.129475     -5.423765      7.725574
  H      -0.511764     -4.244593      9.169258
  H      -2.743905     -3.651793      8.294712
  H      -5.379514     -3.168146      6.077687
  N      -5.094355     -5.392011      2.245209
  N      -6.105382     -5.905917      1.340944
73
Coordinates from ORCA-job orca E -7352.283509037681
  N      -3.236330     -4.076111      1.684468
  C      -3.723066     -4.912992      0.591568
  C      -4.035966     -6.315768      1.189718
  N      -3.142520     -6.484896      2.408476
  C      -3.452014     -7.745082      3.164631
  C      -4.047641     -7.389493      4.546587
  N      -4.701024     -6.098170      4.397413
  Mo     -3.601050     -4.577049      3.615251
  N      -1.817455     -5.313188      4.205096
  C      -0.929346     -6.084138      3.331701
  C      -1.695092     -6.448096      2.056855
  H      -0.603628     -6.988805      3.869662
  H      -0.036659     -5.489782      3.079897
  H      -1.367433     -7.423636      1.666853
  H      -1.517022     -5.699445      1.280467
  H      -4.762983     -8.157207      4.864912
  H      -3.253978     -7.322506      5.306570
  H      -4.182746     -8.334763      2.595938
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  H      -2.982320     -4.970193     -0.226683
  H      -4.640264     -4.465915      0.185626
  H      -3.827794     -7.098032      0.435457
  H      -5.237480     -6.447642      1.534689
  C      -2.595053     -2.915169      1.349487
  C      -2.267685     -2.471438      0.050941
  C      -1.643304     -1.246042     -0.113863
  C      -1.369284     -0.422346      0.995580
  C      -1.685493     -0.842516      2.275563
  C      -2.257683     -2.115914      2.473839
  N      -2.675848     -2.619471      3.697141
  C      -2.157078     -2.056891      4.825604
  C      -0.804743     -1.682478      5.087587
  O      -0.394633     -1.023789      6.022776
  Cl      0.449511     -2.463685      3.987672
  C      -5.964588     -5.856790      4.851355
  C      -6.760909     -6.715127      5.632101
  C      -8.054536     -6.336357      5.970093
  C      -8.583541     -5.116925      5.524677
  C      -7.804973     -4.242745      4.772237
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  N      -5.601274     -3.782534      3.693258
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  C      -5.617227     -1.666120      2.461005
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  C       0.146392     -5.184596      7.343938
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  C      -2.043955     -4.202934      7.683070
  C      -2.403392     -4.547412      6.361632
  N      -3.612659     -4.242385      5.766230
  C      -4.691325     -3.877769      6.498763
  C      -5.056688     -4.462048      7.750519
  O      -4.634745     -5.441221      8.331601
  Cl     -6.505841     -3.570215      8.450734
  H      -2.529314     -3.060060     -0.825167
  H      -1.394224     -0.899156     -1.116392
  H      -0.926318      0.561377      0.844855
  H      -1.523600     -0.187885      3.129535
  H      -2.822867     -1.919524      5.677206
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  H      -8.666367     -7.000693      6.579337
  H      -9.611426     -4.850777      5.767130
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  H      -6.593724     -2.026046      4.338157
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  H       1.130808     -5.430593      7.741213
  H      -0.514399     -4.241760      9.181435
  H      -2.745829     -3.646377      8.299096
  H      -5.376178     -3.150935      6.077567
  N      -5.137079     -5.396416      2.220106
  N      -6.174134     -5.882109      1.327353
73
Coordinates from ORCA-job orca E -7352.309249830011
  N      -3.220318     -4.068882      1.662459
  C      -3.697437     -4.912747      0.574082
  C      -4.029673     -6.306477      1.178066
  N      -3.134153     -6.486347      2.400554
  C      -3.449657     -7.745897      3.160572
  C      -4.049944     -7.397654      4.543157
  N      -4.712930     -6.112323      4.402980
  Mo     -3.605318     -4.579492      3.608263
  N      -1.808536     -5.320428      4.210251
  C      -0.920814     -6.090513      3.335924
  C      -1.683661     -6.450104      2.057861
  H      -0.595445     -6.996636      3.873168
  H      -0.025618     -5.498287      3.084654
  H      -1.355961     -7.425801      1.666386
  H      -1.506112     -5.698920      1.283796
  H      -4.761396     -8.171734      4.858303
  H      -3.254413     -7.331628      5.301681
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  H      -2.536024     -8.340690      3.276611
  H      -2.948789     -4.977729     -0.237051
  H      -4.614073     -4.473059      0.155060
  H      -3.836888     -7.091349      0.423113
  H      -5.291174     -6.444060      1.526280
  C      -2.576693     -2.908732      1.335113
  C      -2.242810     -2.467288      0.037290
  C      -1.620585     -1.239177     -0.124749
  C      -1.356371     -0.413556      0.986647
  C      -1.679719     -0.833240      2.265984
  C      -2.249779     -2.107845      2.461364
  N      -2.669533     -2.614433      3.684094
  C      -2.149938     -2.054466      4.814520
  C      -0.799246     -1.678206      5.083380
  O      -0.399694     -1.024263      6.025683
  Cl      0.470989     -2.444497      3.976105
  C      -5.974121     -5.864884      4.857473
  C      -6.766446     -6.726960      5.638569
  C      -8.059977     -6.350928      5.985687
  C      -8.591713     -5.129819      5.548646
  C      -7.816430     -4.251417      4.794976
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  N      -5.622222     -3.776445      3.705365
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  C      -5.634131     -1.667462      2.470935
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  C      -0.153598     -5.483852      6.034693
  C       0.144897     -5.187275      7.353246
  C      -0.792048     -4.521648      8.172625
  C      -2.045015     -4.199774      7.686326
  C      -2.403440     -4.546396      6.365418
  N      -3.613581     -4.238065      5.771650
  C      -4.691681     -3.866945      6.501429
  C      -5.063750     -4.451112      7.752146
  O      -4.644098     -5.430562      8.333483
  Cl     -6.513283     -3.548342      8.450718
  H      -2.499376     -3.059752     -0.839147
  H      -1.366599     -0.892677     -1.127396
  H      -0.914833      0.572301      0.838100
  H      -1.523702     -0.177062      3.120822
  H      -2.816554     -1.925135      5.666360
  H      -6.368957     -7.678407      5.989371
  H      -8.667780     -7.019656      6.596096
  H      -9.619287     -4.863965      5.797480
  H      -8.246360     -3.318599      4.432731
  H      -6.616394     -2.022770      4.354431
  H       0.605986     -5.933747      5.397575
  H       1.129926     -5.434114      7.751552
  H      -0.517315     -4.236742      9.188499
  H      -2.746993     -3.640172      8.301128
  H      -5.372001     -3.137362      6.075981
  N      -5.180295     -5.407050      2.195061
  N      -6.238263     -5.859017      1.323928
73
Coordinates from ORCA-job orca E -7352.332091280253
  N      -3.206733     -4.063906      1.646059
  C      -3.673008     -4.914715      0.562798
  C      -4.020142     -6.297712      1.171567
  N      -3.126897     -6.485870      2.393222
  C      -3.448089     -7.744773      3.155002
  C      -4.052507     -7.404277      4.537041
  N      -4.722472     -6.124287      4.404752
  Mo     -3.609952     -4.581759      3.601672
  N      -1.802970     -5.324899      4.214732
  C      -0.915015     -6.092801      3.340623
  C      -1.674353     -6.448375      2.059872
  H      -0.589396     -6.999899      3.876954
  H      -0.017997     -5.502137      3.090196
  H      -1.346274     -7.423558      1.666580
  H      -1.497094     -5.694335      1.288748
  H      -4.760138     -8.184594      4.847861
  H      -3.256238     -7.339830      5.295345
  H      -4.171917     -8.333936      2.575324
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  H      -2.917185     -4.987377     -0.240894
  H      -4.589022     -4.482961      0.130108
  H      -3.844054     -7.085601      0.416625
  H      -5.341185     -6.441011      1.521311
  C      -2.562191     -2.905702      1.325059
  C      -2.221806     -2.466266      0.027627
  C      -1.602524     -1.236210     -0.132141
  C      -1.347852     -0.407955      0.980168
  C      -1.677366     -0.826087      2.258518
  C      -2.244899     -2.101986      2.452324
  N      -2.665083     -2.610402      3.673036
  C      -2.145324     -2.053102      4.804237
  C      -0.796471     -1.675516      5.076871
  O      -0.400948     -1.027399      6.023852
  Cl      0.482580     -2.430873      3.959805
  C      -5.981387     -5.871988      4.859740
  C      -6.771394     -6.737815      5.639973
  C      -8.063658     -6.364021      5.995936
  C      -8.597101     -5.140272      5.569197
  C      -7.824581     -4.258000      4.816557
  C      -6.506555     -4.593101      4.483991
  N      -5.640172     -3.771988      3.718680
  C      -5.982252     -2.464341      3.614830
  C      -5.641327     -1.670174      2.483178
  O      -5.262463     -2.002703      1.380373
  Cl     -5.941834      0.110994      2.831972
  C      -1.423196     -5.144218      5.510624
  C      -0.156385     -5.486963      6.042110
  C       0.141232     -5.187497      7.360004
  C      -0.795905     -4.518067      8.176729
  C      -2.047601     -4.195426      7.687748
  C      -2.405110     -4.544048      6.367102
  N      -3.614073     -4.233830      5.774975
  C      -4.691091     -3.857431      6.502227
  C      -5.068139     -4.441524      7.751811
  O      -4.650903     -5.420119      8.334067
  Cl     -6.517946     -3.529661      8.448630
  H      -2.472979     -3.062287     -0.848607
  H      -1.344126     -0.890502     -1.134481
  H      -0.908355      0.579499      0.832825
  H      -1.527036     -0.168062      3.113359
  H      -2.811398     -1.931676      5.657396
  H      -6.370485     -7.691031      5.983499
  H      -8.667965     -7.037076      6.605945
  H      -9.623599     -4.874467      5.824454
  H      -8.256227     -3.322464      4.462102
  H      -6.627672     -2.017756      4.373435
  H       0.602893     -5.939456      5.405726
  H       1.126409     -5.434566      7.759162
  H      -0.522307     -4.230116      9.192543
  H      -2.749578     -3.633417      8.301108
  H      -5.367938     -3.126280      6.073414
  N      -5.222908     -5.423545      2.167807
  N      -6.292955     -5.839088      1.326943
73
Coordinates from ORCA-job orca E -7352.352833337738
  N      -3.196346     -4.061130      1.634748
  C      -3.650345     -4.919417      0.555243
  C      -4.006920     -6.291983      1.167740
  N      -3.120776     -6.485203      2.385726
  C      -3.447407     -7.743425      3.148114
  C      -4.055576     -7.409866      4.528773
  N      -4.730038     -6.133865      4.403402
  Mo     -3.615132     -4.583622      3.596119
  N      -1.800959     -5.326962      4.218772
  C      -0.912075     -6.091902      3.345451
  C      -1.666732     -6.444422      2.062069
  H      -0.585743     -6.999590      3.880740
  H      -0.013835     -5.502074      3.096410
  H      -1.337380     -7.418518      1.666968
  H      -1.489502     -5.687424      1.294217
  H      -4.759754     -8.195964      4.834608
  H      -3.259566     -7.347504      5.287961
  H      -4.167158     -8.331328      2.561784
  H      -2.531690     -8.335621      3.266340
  H      -2.887614     -4.998917     -0.240757
  H      -4.565155     -4.495864      0.108217
  H      -3.847051     -7.083805      0.413499
  H      -5.384587     -6.442409      1.517874
  C      -2.552322     -2.904829      1.318606
  C      -2.206167     -2.467082      0.021178
  C      -1.590976     -1.235289     -0.137233
  C      -1.345437     -0.403503      0.975030
  C      -1.679613     -0.819469      2.252374
  C      -2.243729     -2.097114      2.446120
  N      -2.662732     -2.606645      3.664420
  C      -2.143242     -2.051995      4.795863
  C      -0.796236     -1.673114      5.070425
  O      -0.400185     -1.031330      6.020558
  Cl      0.487234     -2.419751      3.942233
  C      -5.987309     -5.877924      4.859236
  C      -6.776446     -6.747456      5.637305
  C      -8.066886     -6.375349      6.001555
  C      -8.600904     -5.148110      5.586500
  C      -7.830062     -4.262217      4.836809
  C      -6.513636     -4.595826      4.495705
  N      -5.654614     -3.768438      3.733157
  C      -5.988221     -2.462534      3.633677
  C      -5.636510     -1.673638      2.497756
  O      -5.257198     -2.012645      1.399483
  Cl     -5.918867      0.113306      2.845487
  C      -1.426792     -5.144463      5.513529
  C      -0.160415     -5.488705      6.047887
  C       0.136719     -5.186626      7.364485
  C      -0.800209     -4.513567      8.179187
  C      -2.050390     -4.190235      7.688487
  C      -2.407720     -4.540683      6.367878
  N      -3.614300     -4.229482      5.777161
  C      -4.689940     -3.848464      6.502482
  C      -5.070814     -4.432578      7.751016
  O      -4.656373     -5.410081      8.334724
  Cl     -6.520678     -3.513082      8.445908
  H      -2.451836     -3.066643     -0.854403
  H      -1.329169     -0.890600     -1.139200
  H      -0.908983      0.585432      0.827768
  H      -1.534774     -0.159239      3.106548
  H      -2.807847     -1.938669      5.651120
  H      -6.373635     -7.702931      5.972726
  H      -8.668537     -7.052698      6.609712
  H      -9.625881     -4.882062      5.847968
  H      -8.262069     -3.323394      4.491082
  H      -6.629779     -2.009597      4.392562
  H       0.598247     -5.943489      5.412284
  H       1.121866     -5.433704      7.764054
  H      -0.527110     -4.222832      9.194449
  H      -2.751920     -3.626062      8.300525
  H      -5.364137     -3.116456      6.071197
  N      -5.266350     -5.444892      2.138672
  N      -6.337353     -5.824832      1.333581
73
Coordinates from ORCA-job orca E -7352.371731928374
  N      -3.189382     -4.060380      1.628176
  C      -3.630098     -4.926486      0.550191
  C      -3.990876     -6.290018      1.164925
  N      -3.115933     -6.485018      2.378045
  C      -3.447826     -7.742452      3.140189
  C      -4.059398     -7.414547      4.518775
  N      -4.735839     -6.140902      4.399288
  Mo     -3.620658     -4.584646      3.592430
  N      -1.802201     -5.326748      4.222921
  C      -0.911669     -6.088369      3.350694
  C      -1.660480     -6.439009      2.064588
  H      -0.584286     -6.996355      3.884854
  H      -0.012722     -5.498616      3.103712
  H      -1.328715     -7.411549      1.667875
  H      -1.483013     -5.679051      1.300192
  H      -4.760784     -8.205737      4.819094
  H      -3.264641     -7.354888      5.279930
  H      -4.163255     -8.328620      2.546729
  H      -2.532339     -8.334879      3.260798
  H      -2.860454     -5.011606     -0.237755
  H      -4.542556     -4.510609      0.088238
  H      -3.845963     -7.086604      0.412258
  H      -5.420623     -6.450181      1.514187
  C      -2.546619     -2.905642      1.315365
  C      -2.195457     -2.469539      0.017624
  C      -1.584943     -1.236225     -0.140520
  C      -1.347678     -0.400070      0.970826
  C      -1.685106     -0.813374      2.247305
  C      -2.245394     -2.092963      2.442413
  N      -2.661697     -2.602642      3.658547
  C      -2.142295     -2.050248      4.789620
  C      -0.796964     -1.669972      5.063998
  O      -0.396605     -1.034715      6.015982
  Cl      0.487165     -2.409958      3.923569
  C      -5.992348     -5.882835      4.856288
  C      -6.781853     -6.756043      5.630629
  C      -8.070530     -6.385196      6.002035
  C      -8.604019     -5.153920      5.599492
  C      -7.833336     -4.264544      4.854550
  C      -6.518288     -4.597449      4.505853
  N      -5.664983     -3.765501      3.747937
  C      -5.988016     -2.460609      3.652761
  C      -5.623800     -1.676651      2.514148
  O      -5.244764     -2.021725      1.419253
  Cl     -5.885957      0.115118      2.861054
  C      -1.431248     -5.143649      5.516064
  C      -0.164973     -5.489638      6.052470
  C       0.132378     -5.185370      7.367379
  C      -0.803794     -4.508754      8.180949
  C      -2.052434     -4.184487      7.689646
  C      -2.410449     -4.536435      6.368930
  N      -3.613956     -4.224792      5.779407
  C      -4.687738     -3.839535      6.503877
  C      -5.071052     -4.423666      7.751678
  O      -4.659401     -5.400189      8.336999
  Cl     -6.520359     -3.497809      8.445201
  H      -2.435882     -3.072636     -0.856909
  H      -1.320727     -0.892856     -1.142228
  H      -0.914897      0.590194      0.822516
  H      -1.545250     -0.150738      3.100365
  H      -2.804320     -1.944962      5.647795
  H      -6.378499     -7.714209      5.957455
  H      -8.670593     -7.066874      6.606820
  H      -9.627324     -4.887444      5.866453
  H      -8.264166     -3.321886      4.517901
  H      -6.625531     -1.999736      4.410869
  H       0.592645     -5.946520      5.417412
  H       1.117450     -5.432470      7.766815
  H      -0.530310     -4.215650      9.195290
  H      -2.753031     -3.618292      8.300688
  H      -5.360149     -3.107079      6.071211
  N      -5.311879     -5.468834      2.108359
  N      -6.372897     -5.816111      1.341178
73
Coordinates from ORCA-job orca E -7352.389050372562
  N      -3.186203     -4.061122      1.625723
  C      -3.613251     -4.934967      0.547044
  C      -3.973575     -6.291754      1.161994
  N      -3.112455     -6.485596      2.370583
  C      -3.449191     -7.742197      3.131721
  C      -4.063733     -7.418548      4.507861
  N      -4.739914     -6.145637      4.393224
  Mo     -3.626300     -4.584664      3.591389
  N      -1.806085     -5.324346      4.227594
  C      -0.913143     -6.082501      3.356579
  C      -1.655379     -6.432505      2.067851
  H      -0.584307     -6.990521      3.889556
  H      -0.014040     -5.491976      3.112271
  H      -1.320016     -7.403108      1.669788
  H      -1.477634     -5.669610      1.306957
  H      -4.763122     -8.213978      4.802441
  H      -3.270985     -7.362305      5.271821
  H      -4.160294     -8.326293      2.530972
  H      -2.534630     -8.335852      3.255261
  H      -2.836540     -5.023970     -0.232514
  H      -4.521956     -4.525581      0.069986
  H      -3.841612     -7.093613      0.411826
  H      -5.449713     -6.465168      1.508518
  C      -2.545197     -2.907657      1.314866
  C      -2.189983     -2.473123      0.016434
  C      -1.584297     -1.238629     -0.142446
  C      -1.353761     -0.397320      0.967337
  C      -1.692753     -0.807570      2.243123
  C      -2.249269     -2.089220      2.440910
  N      -2.661126     -2.597898      3.655424
  C      -2.140992     -2.047720      4.785482
  C      -0.796971     -1.665944      5.057684
  O      -0.389551     -1.037759      6.010857
  Cl      0.485039     -2.400938      3.904400
  C      -5.996697     -5.886990      4.851816
  C      -6.787570     -6.763562      5.621159
  C      -8.074994     -6.393462      5.998182
  C      -8.606848     -5.157973      5.608141
  C      -7.834604     -4.265396      4.869139
  C      -6.520826     -4.598525      4.514342
  N      -5.670645     -3.763462      3.761971
  C      -5.981967     -2.458295      3.670381
  C      -5.605270     -1.679229      2.530353
  O      -5.227823     -2.029835      1.437179
  Cl     -5.845561      0.116605      2.876595
  C      -1.435815     -5.141766      5.519040
  C      -0.169213     -5.489563      6.056239
  C       0.129258     -5.183617      7.369292
  C      -0.805661     -4.503861      8.182833
  C      -2.053104     -4.178579      7.692238
  C      -2.412702     -4.531597      6.371369
  N      -3.613033     -4.220098      5.782806
  C      -4.685070     -3.831462      6.506862
  C      -5.070379     -4.415747      7.754151
  O      -4.661274     -5.391360      8.341233
  Cl     -6.519414     -3.485439      8.445860
  H      -2.425853     -3.079575     -0.856801
  H      -1.318874     -0.896823     -1.144188
  H      -0.925047      0.594136      0.816836
  H      -1.556944     -0.142489      3.094792
  H      -2.799206     -1.950746      5.647459
  H      -6.384902     -7.724711      5.939517
  H      -8.674640     -7.079307      6.598402
  H      -9.628539     -4.890791      5.879559
  H      -8.262733     -3.318504      4.541214
  H      -6.614940     -1.988484      4.427250
  H       0.586993     -5.948161      5.421218
  H       1.114431     -5.430630      7.767921
  H      -0.530784     -4.208871      9.196008
  H      -2.752355     -3.610670      8.302865
  H      -5.356664     -3.099210      6.073188
  N      -5.360652     -5.492869      2.077623
  N      -6.402716     -5.811892      1.347092
73
Coordinates from ORCA-job orca E -7352.404968193421
  N      -3.186470     -4.062658      1.626106
  C      -3.599920     -4.943788      0.544996
  C      -3.956343     -6.296538      1.157547
  N      -3.110445     -6.487005      2.363254
  C      -3.451314     -7.742610      3.122798
  C      -4.067639     -7.421656      4.496866
  N      -4.741578     -6.148052      4.386587
  Mo     -3.631835     -4.583854      3.592761
  N      -1.812126     -5.320241      4.232654
  C      -0.916053     -6.075112      3.362904
  C      -1.651482     -6.425419      2.071787
  H      -0.585514     -6.983037      3.894578
  H      -0.017273     -5.483064      3.121941
  H      -1.311589     -7.393829      1.672664
  H      -1.473499     -5.659658      1.314324
  H      -4.765784     -8.220255      4.786352
  H      -3.276854     -7.369509      5.263576
  H      -4.158470     -8.324456      2.515180
  H      -2.538210     -8.338328      3.249356
  H      -2.815649     -5.034368     -0.225614
  H      -4.503408     -4.539290      0.052916
  H      -3.834424     -7.103744      0.410717
  H      -5.472677     -6.486872      1.497905
  C      -2.547525     -2.910368      1.316467
  C      -2.188850     -2.476873      0.017111
  C      -1.587719     -1.241737     -0.142774
  C      -1.362008     -0.394732      0.965243
  C      -1.700991     -0.801855      2.240198
  C      -2.254472     -2.085623      2.441290
  N      -2.660550     -2.592123      3.654297
  C      -2.139067     -2.045448      4.783037
  C      -0.795786     -1.662507      5.052394
  O      -0.380170     -1.042745      6.007054
  Cl      0.482512     -2.393247      3.886478
  C      -5.998835     -5.890037      4.847898
  C      -6.791558     -6.769065      5.612416
  C      -8.077961     -6.398759      5.993723
  C      -8.607053     -5.159094      5.614821
  C      -7.832081     -4.264220      4.881420
  C      -6.519729     -4.598881      4.521758
  N      -5.670557     -3.762670      3.774277
  C      -5.970685     -2.455265      3.684693
  C      -5.586022     -1.682761      2.542925
  O      -5.213667     -2.039138      1.448938
  Cl     -5.803796      0.117388      2.886807
  C      -1.440582     -5.139011      5.522569
  C      -0.173273     -5.488233      6.059513
  C       0.126754     -5.181219      7.370762
  C      -0.806888     -4.499341      8.185330
  C      -2.053596     -4.173413      7.696592
  C      -2.415126     -4.526906      6.375422
  N      -3.612606     -4.216109      5.787564
  C      -4.683312     -3.825751      6.510518
  C      -5.070463     -4.410131      7.758130
  O      -4.662659     -5.384043      8.347407
  Cl     -6.521073     -3.478981      8.445886
  H      -2.420902     -3.086049     -0.854928
  H      -1.322118     -0.901459     -1.144781
  H      -0.937503      0.597759      0.811726
  H      -1.568244     -0.134602      3.090519
  H      -2.792798     -1.957687      5.649311
  H      -6.390621     -7.733215      5.923274
  H      -8.678112     -7.087874      6.589349
  H      -9.627080     -4.890475      5.889950
  H      -8.256181     -3.313025      4.561073
  H      -6.597111     -1.975814      4.441199
  H       0.581526     -5.947794      5.424107
  H       1.112262     -5.427729      7.768106
  H      -0.529962     -4.203042      9.197276
  H      -2.751469     -3.604505      8.307459
  H      -5.355351     -3.095127      6.075148
  N      -5.413206     -5.515038      2.045612
  N      -6.430757     -5.810484      1.346933
73
Coordinates from ORCA-job orca E -7352.419603682612
  N      -3.189312     -4.065328      1.628012
  C      -3.588740     -4.953178      0.542864
  C      -3.938860     -6.304169      1.150656
  N      -3.109565     -6.489316      2.356179
  C      -3.454114     -7.743225      3.113777
  C      -4.070575     -7.423046      4.486502
  N      -4.740091     -6.147468      4.380333
  Mo     -3.636695     -4.582629      3.595231
  N      -1.819895     -5.315746      4.238082
  C      -0.920047     -6.068051      3.370192
  C      -1.648363     -6.418865      2.076891
  H      -0.588379     -6.975996      3.900693
  H      -0.021516     -5.474298      3.133637
  H      -1.303579     -7.385119      1.677191
  H      -1.469571     -5.650607      1.322613
  H      -4.768309     -8.223425      4.772284
  H      -3.281316     -7.375224      5.255227
  H      -4.157926     -8.322724      2.500185
  H      -2.543089     -8.341781      3.243522
  H      -2.795453     -5.042016     -0.217700
  H      -4.485659     -4.552344      0.035256
  H      -3.823399     -7.116967      0.408289
  H      -5.488876     -6.515257      1.478732
  C      -2.552625     -2.913360      1.318797
  C      -2.191476     -2.480560      0.018409
  C      -1.595022     -1.244833     -0.143235
  C      -1.372826     -0.391907      0.962546
  C      -1.710480     -0.796205      2.236913
  C      -2.260855     -2.082080      2.441857
  N      -2.660430     -2.585782      3.653952
  C      -2.138566     -2.044151      4.782530
  C      -0.795306     -1.661565      5.051805
  O      -0.373499     -1.050917      6.008898
  Cl      0.480179     -2.389328      3.877189
  C      -5.996275     -5.891123      4.845324
  C      -6.791221     -6.771787      5.606205
  C      -8.075821     -6.399895      5.990469
  C      -8.601193     -5.155574      5.620159
  C      -7.823572     -4.259634      4.891419
  C      -6.512515     -4.597141      4.527769
  N      -5.663762     -3.762343      3.784037
  C      -5.956733     -2.450926      3.695166
  C      -5.571739     -1.684885      2.552027
  O      -5.206408     -2.044948      1.454898
  Cl     -5.772079      0.119343      2.893078
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  C      -0.177578     -5.487664      6.062792
  C       0.124317     -5.180301      7.372560
  C      -0.807839     -4.496925      8.188724
  C      -2.054093     -4.170096      7.702325
  C      -2.417527     -4.523397      6.380762
  N      -3.613005     -4.212932      5.793057
  C      -4.682323     -3.821674      6.514692
  C      -5.070736     -4.405714      7.763804
  O      -4.662861     -5.377359      8.355362
  Cl     -6.524174     -3.476885      8.446149
  H      -2.420316     -3.092208     -0.852348
  H      -1.330300     -0.906060     -1.145768
  H      -0.952915      0.601616      0.805259
  H      -1.580338     -0.126976      3.085993
  H      -2.789006     -1.965651      5.652205
  H      -6.393025     -7.738773      5.911065
  H      -8.677265     -7.090763      6.582327
  H      -9.619468     -4.884689      5.898444
  H      -8.242845     -3.304434      4.577242
  H      -6.575689     -1.963876      4.452783
  H       0.575772     -5.947850      5.426746
  H       1.110177     -5.426409      7.768463
  H      -0.528504     -4.200034      9.199537
  H      -2.750573     -3.600586      8.313819
  H      -5.355634     -3.093605      6.077365
  N      -5.467727     -5.534660      2.009955
  N      -6.461016     -5.811311      1.334637
73
Coordinates from ORCA-job orca E -7352.433583002176
  N      -3.194521     -4.069375      1.631758
  C      -3.579840     -4.963072      0.540997
  C      -3.921860     -6.314265      1.143035
  N      -3.109337     -6.492475      2.350847
  C      -3.457280     -7.744180      3.105883
  C      -4.073606     -7.423067      4.477096
  N      -4.736977     -6.144361      4.373906
  Mo     -3.640683     -4.581140      3.599313
  N      -1.828577     -5.311558      4.244662
  C      -0.924521     -6.062080      3.379126
  C      -1.645528     -6.413366      2.083997
  H      -0.592432     -6.970211      3.908730
  H      -0.025980     -5.466640      3.147809
  H      -1.295794     -7.377663      1.684115
  H      -1.465466     -5.643075      1.332450
  H      -4.772101     -8.223812      4.759917
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  H      -4.158268     -8.321338      2.487138
  H      -2.548879     -8.346228      3.239202
  H      -2.776232     -5.047000     -0.208776
  H      -4.469087     -4.564927      0.017656
  H      -3.809348     -7.133234      0.406433
  H      -5.496942     -6.548649      1.453245
  C      -2.559912     -2.916553      1.321738
  C      -2.197654     -2.484793      0.020246
  C      -1.605583     -1.248320     -0.144541
  C      -1.385548     -0.389647      0.958285
  C      -1.720911     -0.791468      2.232836
  C      -2.268110     -2.078976      2.442141
  N      -2.660649     -2.579306      3.654843
  C      -2.138636     -2.042082      4.783375
  C      -0.794794     -1.658704      5.052179
  O      -0.368460     -1.055829      6.011378
  Cl      0.477427     -2.381448      3.869213
  C      -5.991388     -5.890994      4.841856
  C      -6.789669     -6.773149      5.598908
  C      -8.072163     -6.398701      5.983551
  C      -8.592942     -5.149184      5.619287
  C      -7.812414     -4.252839      4.895807
  C      -6.501669     -4.593848      4.530361
  N      -5.651407     -3.762511      3.790946
  C      -5.942289     -2.446118      3.702207
  C      -5.561648     -1.683438      2.560252
  O      -5.201778     -2.042365      1.458665
  Cl     -5.754200      0.123615      2.900852
  C      -1.449581     -5.135897      5.532724
  C      -0.181066     -5.489077      6.066532
  C       0.123649     -5.181937      7.375211
  C      -0.806316     -4.497172      8.193403
  C      -2.052613     -4.168720      7.709779
  C      -2.418321     -4.521358      6.388078
  N      -3.613057     -4.210484      5.800474
  C      -4.680208     -3.818142      6.522986
  C      -5.068014     -4.401896      7.774124
  O      -4.658660     -5.372081      8.366683
  Cl     -6.522345     -3.475845      8.454447
  H      -2.424239     -3.099026     -0.848981
  H      -1.342732     -0.911280     -1.148022
  H      -0.970173      0.604837      0.796553
  H      -1.592672     -0.120539      3.080900
  H      -2.785727     -1.972605      5.656378
  H      -6.395225     -7.742912      5.899255
  H      -8.676344     -7.090269      6.571459
  H      -9.609969     -4.875848      5.899068
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  H      -6.555896     -1.955932      4.461571
  H       0.570506     -5.950009      5.429356
  H       1.109968     -5.428176      7.769331
  H      -0.523986     -4.200303      9.203209
  H      -2.747453     -3.598639      8.322327
  H      -5.355363     -3.092087      6.085506
  N      -5.522818     -5.551319      1.972385
  N      -6.496634     -5.814041      1.311647
73
Coordinates from ORCA-job orca E -7352.447747376604
  N      -3.201326     -4.074089      1.636592
  C      -3.573631     -4.972129      0.539010
  C      -3.906685     -6.325232      1.135329
  N      -3.109291     -6.496032      2.347511
  C      -3.460185     -7.745465      3.099687
  C      -4.076506     -7.422147      4.469100
  N      -4.733064     -6.139521      4.367637
  Mo     -3.643544     -4.579237      3.604804
  N      -1.836631     -5.307649      4.251902
  C      -0.928425     -6.057279      3.388571
  C      -1.642628     -6.409125      2.092064
  H      -0.596391     -6.965713      3.917572
  H      -0.029690     -5.460254      3.162534
  H      -1.288279     -7.371801      1.692239
  H      -1.461352     -5.637328      1.342518
  H      -4.776865     -8.221924      4.749779
  H      -3.291334     -7.382014      5.242050
  H      -4.159143     -8.320513      2.476954
  H      -2.554579     -8.351307      3.236419
  H      -2.759412     -5.048983     -0.200100
  H      -4.454700     -4.575586      0.001051
  H      -3.793904     -7.150622      0.405426
  H      -5.494891     -6.581695      1.425052
  C      -2.568050     -2.919675      1.324727
  C      -2.206048     -2.489646      0.022074
  C      -1.617417     -1.252409     -0.147097
  C      -1.397987     -0.388523      0.952256
  C      -1.730287     -0.788209      2.227836
  C      -2.274643     -2.076642      2.441775
  N      -2.660054     -2.573033      3.656908
  C      -2.137177     -2.039068      4.784925
  C      -0.792045     -1.654342      5.052702
  O      -0.363293     -1.057738      6.014059
  Cl      0.477528     -2.373233      3.864221
  C      -5.985832     -5.890024      4.838140
  C      -6.787882     -6.773487      5.591439
  C      -8.068410     -6.395919      5.974581
  C      -8.584294     -5.141295      5.614135
  C      -7.800890     -4.245015      4.895928
  C      -6.489624     -4.589766      4.530507
  N      -5.635363     -3.763323      3.795311
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  C      -5.557336     -1.679169      2.567178
  O      -5.202356     -2.032276      1.460063
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  C      -0.182759     -5.491123      6.070611
  C       0.125244     -5.184524      7.378718
  C      -0.802329     -4.498822      8.199169
  C      -2.049308     -4.168643      7.718545
  C      -2.417343     -4.520435      6.397004
  N      -3.612532     -4.208937      5.809526
  C      -4.678070     -3.815980      6.534092
  C      -5.065017     -4.400020      7.786558
  O      -4.653382     -5.369793      8.379068
  Cl     -6.520517     -3.478176      8.466108
  H      -2.431738     -3.106427     -0.845496
  H      -1.357256     -0.917400     -1.152009
  H      -0.986663      0.606814      0.785735
  H      -1.603013     -0.115867      3.075103
  H      -2.780692     -1.977537      5.661160
  H      -6.397559     -7.745860      5.888646
  H      -8.676363     -7.087353      6.558705
  H      -9.600668     -4.865683      5.894166
  H      -8.209703     -3.282867      4.590000
  H      -6.539396     -1.953361      4.468558
  H       0.567144     -5.952668      5.432011
  H       1.112247     -5.431055      7.770888
  H      -0.516782     -4.202319      9.208204
  H      -2.742554     -3.598191      8.332509
  H      -5.355690     -3.091809      6.097109
  N      -5.577418     -5.562944      1.934965
  N      -6.537339     -5.815021      1.281876
73
Coordinates from ORCA-job orca E -7352.462866238597
  N      -3.208710     -4.078716      1.641253
  C      -3.569825     -4.979604      0.536288
  C      -3.893965     -6.336070      1.127482
  N      -3.109131     -6.499905      2.345771
  C      -3.462536     -7.747177      3.095459
  C      -4.078947     -7.420794      4.463058
  N      -4.728994     -6.133940      4.362478
  Mo     -3.645447     -4.577072      3.610885
  N      -1.843151     -5.304421      4.259090
  C      -0.931226     -6.054012      3.397468
  C      -1.639544     -6.406617      2.099936
  H      -0.599630     -6.962827      3.926207
  H      -0.032153     -5.455621      3.176233
  H      -1.281159     -7.368119      1.700436
  H      -1.457301     -5.633892      1.351537
  H      -4.781900     -8.218584      4.742610
  H      -3.295752     -7.383635      5.237860
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  H      -2.745617     -5.048436     -0.193050
  H      -4.442963     -4.583781     -0.014184
  H      -3.777777     -7.167568      0.404588
  H      -5.481386     -6.610794      1.397002
  C      -2.575838     -2.922227      1.327003
  C      -2.214938     -2.494446      0.023291
  C      -1.628458     -1.256491     -0.150806
  C      -1.408336     -0.388333      0.945027
  C      -1.737453     -0.786365      2.222227
  C      -2.279776     -2.074957      2.440439
  N      -2.658688     -2.567232      3.659453
  C      -2.134161     -2.035236      4.786442
  C      -0.787280     -1.648408      5.052607
  O      -0.358522     -1.055829      6.016010
  Cl      0.480734     -2.362589      3.860155
  C      -5.980611     -5.888562      4.835378
  C      -6.786091     -6.773071      5.585510
  C      -8.065130     -6.392303      5.965933
  C      -8.576445     -5.133275      5.607105
  C      -7.790586     -4.237307      4.893390
  C      -6.478304     -4.585596      4.529389
  N      -5.618048     -3.764628      3.797425
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  C      -5.559435     -1.673263      2.572039
  O      -5.208843     -2.017249      1.459084
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  C      -0.182897     -5.493812      6.074948
  C       0.128215     -5.188248      7.383189
  C      -0.797226     -4.502382      8.205928
  C      -2.045364     -4.170493      7.728071
  C      -2.415209     -4.520981      6.406771
  N      -3.611690     -4.208479      5.819359
  C      -4.676414     -3.815218      6.546352
  C      -5.062574     -4.399569      7.799579
  O      -4.647933     -5.369508      8.391589
  Cl     -6.519302     -3.482285      8.479235
  H      -2.440849     -3.113485     -0.842784
  H      -1.371247     -0.923649     -1.157457
  H      -1.000171      0.607725      0.773988
  H      -1.610287     -0.112994      3.069033
  H      -2.774096     -1.980266      5.665689
  H      -6.399579     -7.747667      5.881002
  H      -8.677250     -7.082944      6.546961
  H      -9.592744     -4.855801      5.886561
  H      -8.195041     -3.272571      4.589464
  H      -6.527265     -1.955613      4.474099
  H       0.565791     -5.955625      5.434824
  H       1.116044     -5.435222      7.773544
  H      -0.508777     -4.206718      9.214646
  H      -2.737400     -3.600073      8.343714
  H      -5.356530     -3.092622      6.109958
  N      -5.630049     -5.568102      1.899417
  N      -6.579388     -5.811271      1.248911
73
Coordinates from ORCA-job orca E -7352.477341504658
  N      -3.216094     -4.083559      1.645507
  C      -3.565121     -4.987866      0.533135
  C      -3.880085     -6.347610      1.120019
  N      -3.108827     -6.503915      2.344317
  C      -3.464893     -7.748954      3.091171
  C      -4.081281     -7.419333      4.456708
  N      -4.724371     -6.128066      4.356671
  Mo     -3.647067     -4.574985      3.616583
  N      -1.849670     -5.300682      4.266729
  C      -0.933445     -6.050232      3.407354
  C      -1.635810     -6.404277      2.109160
  H      -0.602144     -6.959242      3.936124
  H      -0.034108     -5.450305      3.191044
  H      -1.273227     -7.364785      1.710493
  H      -1.452130     -5.631013      1.361616
  H      -4.786925     -8.215062      4.735132
  H      -3.300241     -7.385362      5.233483
  H      -4.161605     -8.320569      2.463119
  H      -2.564700     -8.362433      3.233720
  H      -2.730523     -5.048137     -0.185858
  H      -4.429541     -4.592761     -0.030694
  H      -3.761499     -7.186607      0.405583
  H      -5.469366     -6.641905      1.367311
  C      -2.584415     -2.924383      1.328440
  C      -2.224889     -2.499005      0.023584
  C      -1.641254     -1.259977     -0.155887
  C      -1.420713     -0.387193      0.936188
  C      -1.745972     -0.783760      2.215250
  C      -2.285589     -2.072729      2.437995
  N      -2.657085     -2.561095      3.661238
  C      -2.130317     -2.031240      4.787155
  C      -0.781274     -1.642749      5.051323
  O      -0.352017     -1.055426      6.017271
  Cl      0.484743     -2.354468      3.855684
  C      -5.974361     -5.886788      4.832373
  C      -6.783445     -6.772126      5.579641
  C      -8.060711     -6.387709      5.957329
  C      -8.566895     -5.123695      5.600480
  C      -7.778444     -4.228258      4.891346
  C      -6.465400     -4.580794      4.527897
  N      -5.599427     -3.765831      3.798388
  C      -5.906804     -2.434502      3.709952
  C      -5.562528     -1.665342      2.578506
  O      -5.220607     -1.998492      1.457859
  Cl     -5.772923      0.144534      2.935809
  C      -1.453142     -5.136748      5.556208
  C      -0.183511     -5.497040      6.080375
  C       0.130303     -5.192925      7.389059
  C      -0.793342     -4.507124      8.213945
  C      -2.042578     -4.173411      7.738456
  C      -2.413622     -4.522107      6.417095
  N      -3.611391     -4.208327      5.829144
  C      -4.675536     -3.814940      6.558727
  C      -5.060424     -4.399319      7.813078
  O      -4.642798     -5.369851      8.404237
  Cl     -6.519537     -3.488014      8.492064
  H      -2.450673     -3.120803     -0.840797
  H      -1.387482     -0.929261     -1.164443
  H      -1.016599      0.609920      0.760261
  H      -1.619061     -0.109292      3.061633
  H      -2.766218     -1.982835      5.669646
  H      -6.401164     -7.749214      5.873198
  H      -8.677303     -7.077428      6.535153
  H      -9.582920     -4.843851      5.879811
  H      -8.178017     -3.260547      4.589892
  H      -6.513314     -1.958288      4.481458
  H       0.564209     -5.958927      5.438772
  H       1.118913     -5.440319      7.777905
  H      -0.502228     -4.212375      9.222499
  H      -2.733666     -3.603051      8.355610
  H      -5.358515     -3.094135      6.123052
  N      -5.681469     -5.574743      1.859693
  N      -6.621494     -5.808758      1.211673
73
Coordinates from ORCA-job orca E -7352.490476797885
  N      -3.216444     -4.076866      1.642966
  C      -3.568880     -4.982400      0.540368
  C      -3.875083     -6.340500      1.128787
  N      -3.105977     -6.500411      2.347632
  C      -3.462850     -7.748031      3.096180
  C      -4.081818     -7.424963      4.460424
  N      -4.730590     -6.137451      4.361960
  Mo     -3.644270     -4.575177      3.618238
  N      -1.835953     -5.305188      4.265251
  C      -0.926798     -6.054179      3.402085
  C      -1.636592     -6.406706      2.104637
  H      -0.596287     -6.963374      3.930303
  H      -0.027427     -5.456661      3.180747
  H      -1.278458     -7.367338      1.703699
  H      -1.456120     -5.634236      1.355476
  H      -4.787940     -8.219522      4.739632
  H      -3.298954     -7.390228      5.235940
  H      -4.162856     -8.319480      2.472136
  H      -2.560496     -8.358531      3.233637
  H      -2.739681     -5.046768     -0.181323
  H      -4.439611     -4.591719     -0.016129
  H      -3.743299     -7.178047      0.417595
  H      -5.403288     -6.601876      1.386270
  C      -2.588303     -2.921487      1.329279
  C      -2.231911     -2.492615      0.025000
  C      -1.648731     -1.253973     -0.149882
  C      -1.426183     -0.386864      0.945220
  C      -1.748117     -0.786109      2.222531
  C      -2.287364     -2.074780      2.441900
  N      -2.656340     -2.565353      3.662936
  C      -2.125490     -2.033059      4.781957
  C      -0.780129     -1.641008      5.036178
  O      -0.348283     -1.047992      5.998080
  Cl      0.479084     -2.349715      3.834393
  C      -5.987024     -5.885711      4.837529
  C      -6.794558     -6.767742      5.584222
  C      -8.075156     -6.383335      5.963771
  C      -8.581181     -5.125836      5.607309
  C      -7.791361     -4.229986      4.895595
  C      -6.481604     -4.581409      4.533379
  N      -5.610787     -3.764216      3.802294
  C      -5.901614     -2.444449      3.709718
  C      -5.541125     -1.691197      2.560112
  O      -5.199335     -2.044868      1.452141
  Cl     -5.731797      0.126082      2.898668
  C      -1.448803     -5.137297      5.552070
  C      -0.179610     -5.493084      6.080214
  C       0.128721     -5.188123      7.387954
  C      -0.798245     -4.505758      8.210713
  C      -2.045856     -4.176092      7.733780
  C      -2.414133     -4.525354      6.412600
  N      -3.606891     -4.214746      5.829149
  C      -4.672705     -3.825039      6.550933
  C      -5.062251     -4.410023      7.800096
  O      -4.647309     -5.375365      8.392754
  Cl     -6.528510     -3.501490      8.470576
  H      -2.459109     -3.109568     -0.841440
  H      -1.397184     -0.920485     -1.157094
  H      -1.022339      0.610263      0.773748
  H      -1.618886     -0.113454      3.068979
  H      -2.757151     -1.985061      5.667685
  H      -6.411250     -7.743428      5.878254
  H      -8.690793     -7.071888      6.542623
  H      -9.596590     -4.846971      5.886660
  H      -8.193349     -3.263899      4.594552
  H      -6.502231     -1.957521      4.479951
  H       0.571152     -5.952637      5.441960
  H       1.116483     -5.433151      7.778104
  H      -0.511248     -4.210941      9.219483
  H      -2.738743     -3.608773      8.350413
  H      -5.353534     -3.106264      6.109530
  N      -5.692799     -5.546631      1.869164
  N      -6.605434     -5.764341      1.241399
73
Coordinates from ORCA-job orca E -7352.507181401833
  N      -3.220940     -4.075437      1.642745
  C      -3.569914     -4.984762      0.544399
  C      -3.864905     -6.343114      1.133840
  N      -3.103157     -6.500592      2.352401
  C      -3.461213     -7.748658      3.102011
  C      -4.082584     -7.427592      4.463768
  N      -4.732739     -6.141171      4.364101
  Mo     -3.642593     -4.574330      3.622440
  N      -1.828015     -5.306226      4.268206
  C      -0.921609     -6.054406      3.403282
  C      -1.634854     -6.408113      2.107091
  H      -0.590870     -6.963298      3.931524
  H      -0.022665     -5.457382      3.179606
  H      -1.277766     -7.368557      1.705416
  H      -1.456994     -5.636558      1.356238
  H      -4.790317     -8.220119      4.743620
  H      -3.299977     -7.392532      5.239812
  H      -4.163040     -8.320042      2.480390
  H      -2.558344     -8.358371      3.237534
  H      -2.739470     -5.048698     -0.174184
  H      -4.440903     -4.598849     -0.013922
  H      -3.721146     -7.183880      0.430569
  H      -5.342479     -6.588283      1.386202
  C      -2.597324     -2.920577      1.329077
  C      -2.245511     -2.490357      0.024366
  C      -1.665613     -1.250611     -0.150647
  C      -1.441684     -0.385013      0.944463
  C      -1.757775     -0.785864      2.221946
  C      -2.293588     -2.075062      2.441625
  N      -2.654490     -2.566284      3.664223
  C      -2.117544     -2.033112      4.777028
  C      -0.773398     -1.636995      5.020632
  O      -0.338424     -1.043378      5.981114
  Cl      0.477936     -2.339159      3.809530
  C      -5.994356     -5.884484      4.837726
  C      -6.803386     -6.764924      5.581079
  C      -8.086805     -6.379597      5.957487
  C      -8.590044     -5.124599      5.601224
  C      -7.796939     -4.228069      4.891624
  C      -6.488453     -4.580160      4.533027
  N      -5.609434     -3.762743      3.804732
  C      -5.891674     -2.448067      3.714777
  C      -5.523642     -1.698486      2.559080
  O      -5.183684     -2.055675      1.455547
  Cl     -5.701013      0.122506      2.898644
  C      -1.445171     -5.139039      5.554038
  C      -0.176604     -5.493773      6.083561
  C       0.128879     -5.189951      7.391357
  C      -0.799550     -4.510266      8.213691
  C      -2.046400     -4.181785      7.736496
  C      -2.412921     -4.529678      6.415160
  N      -3.602459     -4.219252      5.834082
  C      -4.668882     -3.830116      6.551367
  C      -5.062635     -4.414669      7.797208
  O      -4.649858     -5.377383      8.390849
  Cl     -6.531299     -3.505950      8.462854
  H      -2.473611     -3.105600     -0.842509
  H      -1.418611     -0.916034     -1.158136
  H      -1.041427      0.613206      0.773446
  H      -1.626820     -0.113805      3.068110
  H      -2.742220     -1.989958      5.668059
  H      -6.421439     -7.740589      5.875505
  H      -8.704953     -7.067237      6.534071
  H      -9.605624     -4.845799      5.878556
  H      -8.198254     -3.261789      4.591577
  H      -6.488226     -1.960496      4.487980
  H       0.576015     -5.951397      5.446846
  H       1.116311     -5.434003      7.781817
  H      -0.514342     -4.216277      9.222762
  H      -2.740024     -3.616503      8.353505
  H      -5.347891     -3.112162      6.106121
  N      -5.721280     -5.527682      1.856877
  N      -6.612940     -5.732734      1.243009
73
Coordinates from ORCA-job orca E -7352.523253711416
  N      -3.224836     -4.073417      1.641311
  C      -3.570701     -4.986629      0.548878
  C      -3.855714     -6.344893      1.140485
  N      -3.100079     -6.500625      2.359320
  C      -3.459707     -7.749415      3.110341
  C      -4.083739     -7.430153      4.469598
  N      -4.736340     -6.145602      4.366927
  Mo     -3.640195     -4.573971      3.625722
  N      -1.817785     -5.307564      4.270451
  C      -0.914980     -6.055519      3.403788
  C      -1.633334     -6.411152      2.109579
  H      -0.584068     -6.963769      3.932662
  H      -0.016477     -5.459562      3.176245
  H      -1.278146     -7.371818      1.707425
  H      -1.458436     -5.641152      1.356281
  H      -4.793047     -8.220397      4.750814
  H      -3.301264     -7.393750      5.246039
  H      -4.164135     -8.320717      2.491991
  H      -2.556191     -8.358170      3.243225
  H      -2.739583     -5.051635     -0.167016
  H      -4.442638     -4.606486     -0.010642
  H      -3.697160     -7.188064      0.445238
  H      -5.271889     -6.568613      1.387079
  C      -2.606325     -2.918910      1.327789
  C      -2.259714     -2.486816      0.022838
  C      -1.683900     -1.245377     -0.151674
  C      -1.459198     -0.382026      0.943998
  C      -1.768748     -0.785494      2.221624
  C      -2.299925     -2.075679      2.440783
  N      -2.651791     -2.569307      3.664892
  C      -2.107019     -2.035461      4.770998
  C      -0.763850     -1.636265      5.002541
  O      -0.324856     -1.044055      5.962605
  Cl      0.478345     -2.336324      3.784193
  C      -6.003292     -5.882185      4.838379
  C      -6.813392     -6.760079      5.579444
  C      -8.099713     -6.373378      5.953237
  C      -8.600012     -5.121368      5.596797
  C      -7.803601     -4.224658      4.888074
  C      -6.497107     -4.577901      4.532575
  N      -5.609766     -3.759843      3.805970
  C      -5.882151     -2.450830      3.720426
  C      -5.506427     -1.703944      2.558219
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  C      -1.440278     -5.139831      5.555210
  C      -0.172351     -5.492382      6.086823
  C       0.129367     -5.189227      7.394827
  C      -0.801504     -4.513063      8.216190
  C      -2.047696     -4.186956      7.738017
  C      -2.411430     -4.533609      6.416369
  N      -3.597889     -4.224711      5.837392
  C      -4.666287     -3.838427      6.549369
  C      -5.064415     -4.424032      7.790835
  O      -4.653732     -5.384679      8.384455
  Cl     -6.541405     -3.521497      8.447719
  H      -2.488568     -3.099953     -0.844784
  H      -1.441921     -0.909009     -1.159269
  H      -1.063452      0.617768      0.774265
  H      -1.636293     -0.114240      3.067649
  H      -2.723399     -1.997859      5.668150
  H      -6.432795     -7.735562      5.874726
  H      -8.720190     -7.059635      6.528263
  H      -9.615511     -4.842197      5.872506
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  H      -6.473713     -1.963071      4.497693
  H       0.582790     -5.947640      5.452148
  H       1.116479     -5.431522      7.786021
  H      -0.518996     -4.219566      9.225696
  H      -2.742845     -3.624400      8.355112
  H      -5.344575     -3.122954      6.099358
  N      -5.739352     -5.506145      1.848460
  N      -6.614509     -5.702250      1.243618
73
Coordinates from ORCA-job orca E -7352.539877219155
  N      -3.230509     -4.072381      1.642148
  C      -3.569686     -4.988860      0.553721
  C      -3.844914     -6.347719      1.145547
  N      -3.098095     -6.501967      2.366680
  C      -3.460999     -7.751385      3.117165
  C      -4.086750     -7.432893      4.474303
  N      -4.739784     -6.148973      4.367909
  Mo     -3.638062     -4.574578      3.630517
  N      -1.809871     -5.309641      4.275375
  C      -0.910017     -6.058921      3.408222
  C      -1.631866     -6.415302      2.115536
  H      -0.580569     -6.967126      3.937868
  H      -0.010873     -5.465016      3.178384
  H      -1.278344     -7.376014      1.712409
  H      -1.458330     -5.646241      1.360792
  H      -4.798287     -8.220384      4.756715
  H      -3.304800     -7.396035      5.251488
  H      -4.168751     -8.320835      2.501178
  H      -2.558281     -8.361575      3.247075
  H      -2.734988     -5.052567     -0.156932
  H      -4.439962     -4.614005     -0.010499
  H      -3.671946     -7.193497      0.458353
  H      -5.204355     -6.556293      1.379066
  C      -2.617488     -2.917036      1.328138
  C      -2.276336     -2.483087      0.022841
  C      -1.705072     -1.239626     -0.151896
  C      -1.478965     -0.377995      0.943963
  C      -1.780934     -0.784551      2.222077
  C      -2.307517     -2.075803      2.440891
  N      -2.648208     -2.572450      3.666934
  C      -2.093680     -2.039675      4.766452
  C      -0.751153     -1.634096      4.982739
  O      -0.306694     -1.040398      5.939804
  Cl      0.478171     -2.312325      3.742412
  C      -6.011002     -5.879889      4.837605
  C      -6.823749     -6.755504      5.575365
  C      -8.112773     -6.366760      5.944306
  C      -8.608970     -5.116298      5.586989
  C      -7.807994     -4.219717      4.881002
  C      -6.502584     -4.575033      4.530371
  N      -5.605711     -3.757686      3.806919
  C      -5.871417     -2.452041      3.724308
  C      -5.494392     -1.707385      2.556018
  O      -5.166256     -2.069456      1.457970
  Cl     -5.641689      0.119726      2.903335
  C      -1.435385     -5.141202      5.559232
  C      -0.167752     -5.491676      6.092063
  C       0.131374     -5.188481      7.400178
  C      -0.801414     -4.515298      8.220939
  C      -2.047516     -4.191616      7.742338
  C      -2.409049     -4.537539      6.420538
  N      -3.593745     -4.230889      5.843155
  C      -4.663847     -3.848107      6.551792
  C      -5.063364     -4.434362      7.790651
  O      -4.649088     -5.389963      8.386678
  Cl     -6.542953     -3.534549      8.445715
  H      -2.506006     -3.094609     -0.845336
  H      -1.468923     -0.901416     -1.159916
  H      -1.088687      0.623749      0.774803
  H      -1.646778     -0.114404      3.068381
  H      -2.698534     -2.012109      5.671832
  H      -6.445772     -7.731417      5.871568
  H      -8.737080     -7.051528      6.516494
  H      -9.624698     -4.836090      5.859825
  H      -8.207025     -3.252755      4.582265
  H      -6.457093     -1.964776      4.506534
  H       0.589425     -5.945166      5.459060
  H       1.118533     -5.428786      7.791714
  H      -0.520717     -4.221865      9.230664
  H      -2.744081     -3.631634      8.359729
  H      -5.343175     -3.135970      6.098378
  N      -5.762743     -5.491613      1.831503
  N      -6.625036     -5.679032      1.231316
73
Coordinates from ORCA-job orca E -7352.556185399138
  N      -3.235682     -4.070948      1.643190
  C      -3.567154     -4.989799      0.557993
  C      -3.833433     -6.349480      1.148896
  N      -3.096116     -6.503280      2.373851
  C      -3.463952     -7.753314      3.122630
  C      -4.090265     -7.434708      4.478281
  N      -4.742602     -6.150817      4.367343
  Mo     -3.634207     -4.575372      3.635308
  N      -1.801341     -5.312005      4.281331
  C      -0.904952     -6.064856      3.414651
  C      -1.629763     -6.420368      2.122995
  H      -0.578982     -6.973574      3.945459
  H      -0.003839     -5.474729      3.183135
  H      -1.278466     -7.381098      1.718192
  H      -1.456250     -5.651680      1.367626
  H      -4.804411     -8.218944      4.762427
  H      -3.308585     -7.397617      5.255905
  H      -4.176320     -8.319157      2.508815
  H      -2.563246     -8.366978      3.248644
  H      -2.727936     -5.050859     -0.146765
  H      -4.434967     -4.619816     -0.011934
  H      -3.646884     -7.197310      0.468943
  H      -5.140896     -6.546308      1.366257
  C      -2.629034     -2.913733      1.328323
  C      -2.295471     -2.477154      0.022372
  C      -1.732197     -1.230091     -0.153249
  C      -1.506407     -0.369151      0.942480
  C      -1.797927     -0.780020      2.221437
  C      -2.314794     -2.074393      2.440442
  N      -2.641810     -2.575386      3.668671
  C      -2.078885     -2.044516      4.763056
  C      -0.735174     -1.640808      4.971566
  O      -0.287595     -1.057051      5.933602
  Cl      0.490196     -2.350036      3.747824
  C      -6.016375     -5.875151      4.837323
  C      -6.832048     -6.747274      5.573473
  C      -8.122501     -6.354510      5.938666
  C      -8.613514     -5.104642      5.579903
  C      -7.807856     -4.209797      4.875176
  C      -6.504079     -4.569241      4.528176
  N      -5.597650     -3.754934      3.806264
  C      -5.857462     -2.451471      3.723403
  C      -5.484982     -1.712498      2.546259
  O      -5.171180     -2.078760      1.447909
  Cl     -5.629902      0.118356      2.889177
  C      -1.428032     -5.139919      5.563875
  C      -0.159882     -5.486492      6.097212
  C       0.137937     -5.180383      7.404694
  C      -0.796440     -4.509075      8.224435
  C      -2.043376     -4.189597      7.745959
  C      -2.403792     -4.537773      6.425017
  N      -3.588470     -4.236183      5.849282
  C      -4.661444     -3.860189      6.555440
  C      -5.061590     -4.450157      7.790803
  O      -4.645996     -5.405416      8.384203
  Cl     -6.558829     -3.570833      8.433363
  H      -2.525849     -3.087529     -0.846145
  H      -1.504146     -0.889263     -1.162006
  H      -1.125542      0.635993      0.773303
  H      -1.663968     -0.110532      3.068040
  H      -2.675145     -2.024900      5.674305
  H      -6.457663     -7.724000      5.870816
  H      -8.750917     -7.036619      6.509199
  H      -9.628868     -4.821842      5.850800
  H      -8.203826     -3.241662      4.576819
  H      -6.434531     -1.962574      4.511129
  H       0.598831     -5.939423      5.465991
  H       1.125694     -5.417392      7.796197
  H      -0.516722     -4.213686      9.233649
  H      -2.741246     -3.631586      8.363293
  H      -5.344823     -3.154324      6.098562
  N      -5.787912     -5.482000      1.809358
  N      -6.642140     -5.659762      1.210632
73
Coordinates from ORCA-job orca E -7352.571328224018
  N      -3.243542     -4.071171      1.648667
  C      -3.565166     -4.990832      0.563197
  C      -3.822699     -6.352513      1.150522
  N      -3.096706     -6.506011      2.380853
  C      -3.470087     -7.756964      3.125182
  C      -4.096188     -7.438026      4.479942
  N      -4.745895     -6.152958      4.364623
  Mo     -3.632317     -4.578231      3.643016
  N      -1.798237     -5.316695      4.291284
  C      -0.904190     -6.073985      3.426233
  C      -1.629106     -6.425442      2.134055
  H      -0.584032     -6.984564      3.957451
  H       0.000320     -5.488554      3.196305
  H      -1.279190     -7.385334      1.726023
  H      -1.453669     -5.655232      1.380412
  H      -4.813103     -8.219331      4.764739
  H      -3.315500     -7.401693      5.258631
  H      -4.186974     -8.317406      2.511745
  H      -2.572603     -8.376023      3.247259
  H      -2.719532     -5.046187     -0.134363
  H      -4.428479     -4.624030     -0.014477
  H      -3.624557     -7.201975      0.476186
  H      -5.091262     -6.546111      1.348413
  C      -2.640913     -2.911925      1.333174
  C      -2.310727     -2.473667      0.027136
  C      -1.747735     -1.226247     -0.148617
  C      -1.516529     -0.367610      0.947387
  C      -1.802276     -0.781392      2.226779
  C      -2.321229     -2.074700      2.444542
  N      -2.637457     -2.578546      3.674397
  C      -2.061035     -2.052327      4.762156
  C      -0.719281     -1.629407      4.944892
  O      -0.262153     -1.031591      5.893834
  Cl      0.477751     -2.245495      3.647691
  C      -6.021113     -5.874000      4.834281
  C      -6.841435     -6.744253      5.566371
  C      -8.133290     -6.347967      5.924828
  C      -8.618470     -5.096864      5.564705
  C      -7.806930     -4.203036      4.864805
  C      -6.503368     -4.566673      4.523521
  N      -5.587151     -3.755997      3.806285
  C      -5.845637     -2.451831      3.723309
  C      -5.485765     -1.715385      2.540091
  O      -5.181000     -2.081413      1.440045
  Cl     -5.622640      0.118389      2.885085
  C      -1.424342     -5.143231      5.573293
  C      -0.156182     -5.488454      6.106743
  C       0.141092     -5.180851      7.414084
  C      -0.794102     -4.510753      8.233507
  C      -2.041637     -4.193213      7.755192
  C      -2.400939     -4.541674      6.434336
  N      -3.586172     -4.243338      5.859188
  C      -4.660713     -3.872953      6.565542
  C      -5.056580     -4.463867      7.801241
  O      -4.628468     -5.410158      8.399728
  Cl     -6.551636     -3.586928      8.450749
  H      -2.542961     -3.082222     -0.842050
  H      -1.523939     -0.884078     -1.157808
  H      -1.137629      0.638260      0.778455
  H      -1.664032     -0.114526      3.074822
  H      -2.637684     -2.052501      5.686139
  H      -6.471526     -7.722407      5.864411
  H      -8.767199     -7.028223      6.491387
  H      -9.634099     -4.811566      5.831847
  H      -8.198381     -3.232870      4.567225
  H      -6.413515     -1.963290      4.517810
  H       0.603346     -5.941493      5.476673
  H       1.129216     -5.416109      7.805580
  H      -0.514771     -4.214785      9.242615
  H      -2.740625     -3.637016      8.372885
  H      -5.349104     -3.172738      6.107699
  N      -5.820936     -5.481736      1.780166
  N      -6.670966     -5.648476      1.179598
73
Coordinates from ORCA-job orca E -7352.585895121187
  N      -3.248764     -4.071225      1.652077
  C      -3.562023     -4.991327      0.567006
  C      -3.811518     -6.354833      1.151056
  N      -3.095395     -6.508098      2.387352
  C      -3.474703     -7.759567      3.127680
  C      -4.100111     -7.439059      4.481901
  N      -4.747074     -6.152882      4.360923
  Mo     -3.626976     -4.580298      3.648940
  N      -1.791963     -5.320670      4.300028
  C      -0.901197     -6.084283      3.437122
  C      -1.626511     -6.430647      2.144337
  H      -0.588103     -6.996922      3.969198
  H       0.007630     -5.505050      3.208401
  H      -1.278538     -7.389714      1.732537
  H      -1.448921     -5.658514      1.392818
  H      -4.819700     -8.217279      4.768173
  H      -3.320195     -7.402622      5.261360
  H      -4.196770     -8.314099      2.514960
  H      -2.580880     -8.384650      3.245573
  H      -2.711124     -5.040710     -0.124890
  H      -4.421974     -4.627786     -0.016862
  H      -3.602360     -7.204708      0.480648
  H      -5.044711     -6.545886      1.330669
  C      -2.653998     -2.908032      1.334799
  C      -2.333988     -2.466190      0.027531
  C      -1.783093     -1.213451     -0.150441
  C      -1.553899     -0.353441      0.944654
  C      -1.826174     -0.772383      2.225384
  C      -2.330005     -2.071182      2.444506
  N      -2.629408     -2.580598      3.676836
  C      -2.046571     -2.057468      4.761829
  C      -0.702121     -1.639366      4.943239
  O      -0.244630     -1.053795      5.899667
  Cl      0.501517     -2.312840      3.683606
  C      -6.022717     -5.869713      4.830663
  C      -6.847814     -6.736867      5.560282
  C      -8.140284     -6.335660      5.912521
  C      -8.619238     -5.083276      5.549408
  C      -7.801893     -4.192015      4.852452
  C      -6.498855     -4.561143      4.516778
  N      -5.573097     -3.755917      3.802853
  C      -5.830258     -2.450717      3.714710
  C      -5.481767     -1.721654      2.523638
  O      -5.181267     -2.091963      1.424405
  Cl     -5.614016      0.116400      2.862126
  C      -1.416098     -5.142287      5.580844
  C      -0.147117     -5.484338      6.113821
  C       0.150927     -5.172250      7.420176
  C      -0.784542     -4.501752      8.238648
  C      -2.033406     -4.187631      7.760905
  C      -2.393064     -4.539900      6.441390
  N      -3.580168     -4.246881      5.867121
  C      -4.656647     -3.882805      6.574048
  C      -5.048190     -4.475436      7.809946
  O      -4.610553     -5.416217      8.410474
  Cl     -6.550505     -3.610978      8.458382
  H      -2.566694     -3.074784     -0.841474
  H      -1.569747     -0.868244     -1.160880
  H      -1.188596      0.657223      0.774340
  H      -1.690207     -0.105504      3.073805
  H      -2.617106     -2.065030      5.689441
  H      -6.482750     -7.716311      5.860105
  H      -8.779618     -7.012916      6.476593
  H      -9.634877     -4.794457      5.812889
  H      -8.188382     -3.219991      4.554348
  H      -6.388547     -1.958897      4.513877
  H       0.612515     -5.939181      5.485083
  H       1.139845     -5.404832      7.811339
  H      -0.504795     -4.203052      9.246870
  H      -2.733144     -3.632121      8.378430
  H      -5.351290     -3.189871      6.114740
  N      -5.854170     -5.484132      1.749359
  N      -6.703197     -5.637725      1.146585
73
Coordinates from ORCA-job orca E -7352.599314504096
  N      -3.254300     -4.070427      1.657973
  C      -3.560409     -4.988729      0.571193
  C      -3.803312     -6.354993      1.149447
  N      -3.096534     -6.509097      2.392352
  C      -3.482062     -7.761788      3.126092
  C      -4.105674     -7.440568      4.480656
  N      -4.749141     -6.152805      4.355565
  Mo     -3.622823     -4.583003      3.656102
  N      -1.788858     -5.326016      4.310323
  C      -0.901525     -6.096289      3.449537
  C      -1.625998     -6.434021      2.154772
  H      -0.597253     -7.012252      3.981300
  H       0.012695     -5.524302      3.223966
  H      -1.279630     -7.391254      1.737107
  H      -1.445378     -5.657840      1.407785
  H      -4.827480     -8.216384      4.767813
  H      -3.326265     -7.404665      5.260528
  H      -4.209516     -8.308491      2.512736
  H      -2.592648     -8.394034      3.238962
  H      -2.704648     -5.030969     -0.115813
  H      -4.417128     -4.626685     -0.017952
  H      -3.583976     -7.202896      0.479488
  H      -5.009501     -6.547466      1.310799
  C      -2.661057     -2.905507      1.340465
  C      -2.343763     -2.461975      0.033057
  C      -1.793231     -1.208805     -0.145105
  C      -1.560291     -0.349891      0.950043
  C      -1.827803     -0.771506      2.231127
  C      -2.331591     -2.070384      2.449263
  N      -2.622770     -2.582463      3.682571
  C      -2.032320     -2.063792      4.764521
  C      -0.688443     -1.635120      4.932981
  O      -0.226381     -1.048906      5.886588
  Cl      0.502739     -2.282967      3.650883
  C      -6.021908     -5.866093      4.829881
  C      -6.850186     -6.729953      5.559921
  C      -8.140405     -6.322028      5.911783
  C      -8.613004     -5.066685      5.548170
  C      -7.792003     -4.179121      4.851002
  C      -6.490987     -4.555519      4.515272
  N      -5.559293     -3.757996      3.800239
  C      -5.816981     -2.450480      3.705473
  C      -5.496192     -1.732357      2.502273
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  Cl     -5.652639      0.109592      2.822557
  C      -1.409981     -5.142731      5.590089
  C      -0.139957     -5.481770      6.121995
  C       0.160079     -5.164077      7.426945
  C      -0.774925     -4.491820      8.244396
  C      -2.025508     -4.181227      7.767687
  C      -2.386597     -4.538686      6.450037
  N      -3.576565     -4.251634      5.876316
  C      -4.656138     -3.896109      6.584127
  C      -5.045573     -4.494980      7.817772
  O      -4.607130     -5.440579      8.411360
  Cl     -6.575520     -3.666549      8.446957
  H      -2.578368     -3.069105     -0.836482
  H      -1.583300     -0.862511     -1.155963
  H      -1.197540      0.661723      0.779593
  H      -1.689538     -0.106635      3.080948
  H      -2.590481     -2.085957      5.699294
  H      -6.490157     -7.711375      5.859560
  H      -8.783604     -6.995716      6.475812
  H      -9.627190     -4.772949      5.812162
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  H      -6.360133     -1.953695      4.511711
  H       0.619049     -5.939154      5.494156
  H       1.149987     -5.393902      7.817417
  H      -0.493903     -4.189458      9.251256
  H      -2.725376     -3.625321      8.384766
  H      -5.358353     -3.211930      6.123228
  N      -5.892952     -5.489172      1.715504
  N      -6.744278     -5.625878      1.108845
73
Coordinates from ORCA-job orca E -7352.611390574360
  N      -3.260418     -4.072233      1.664722
  C      -3.561091     -4.989065      0.576409
  C      -3.797160     -6.358761      1.149919
  N      -3.096896     -6.511859      2.399073
  C      -3.486924     -7.765541      3.127501
  C      -4.109846     -7.442833      4.482225
  N      -4.750554     -6.154011      4.351072
  Mo     -3.617830     -4.587735      3.663661
  N      -1.785152     -5.332854      4.320356
  C      -0.901446     -6.109992      3.461725
  C      -1.625137     -6.438398      2.165138
  H      -0.606332     -7.029500      3.992998
  H       0.018442     -5.545772      3.239229
  H      -1.279916     -7.393372      1.740944
  H      -1.442158     -5.657422      1.423334
  H      -4.833347     -8.217048      4.769702
  H      -3.332016     -7.406034      5.263507
  H      -4.218851     -8.305539      2.513495
  H      -2.601385     -8.403958      3.236455
  H      -2.702466     -5.023914     -0.108535
  H      -4.416580     -4.628917     -0.015320
  H      -3.565992     -7.203283      0.478609
  H      -4.976968     -6.552617      1.296434
  C      -2.674672     -2.902666      1.345640
  C      -2.366571     -2.454941      0.037155
  C      -1.824410     -1.198133     -0.142444
  C      -1.590497     -0.338691      0.952311
  C      -1.847508     -0.764677      2.234313
  C      -2.341721     -2.067452      2.453002
  N      -2.617925     -2.585441      3.687987
  C      -2.021225     -2.070128      4.767883
  C      -0.677486     -1.632484      4.928496
  O      -0.215017     -1.042880      5.879707
  Cl      0.510243     -2.276438      3.643710
  C      -6.023462     -5.866985      4.821306
  C      -6.858551     -6.729934      5.545182
  C      -8.150228     -6.318903      5.886129
  C      -8.616949     -5.061405      5.518550
  C      -7.788884     -4.175083      4.828531
  C      -6.486444     -4.555762      4.502553
  N      -5.545988     -3.762928      3.795626
  C      -5.805376     -2.452312      3.693093
  C      -5.492369     -1.740116      2.487285
  O      -5.204674     -2.119446      1.386473
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  C      -1.403146     -5.146227      5.599374
  C      -0.132657     -5.484457      6.130493
  C       0.169087     -5.163737      7.434878
  C      -0.765386     -4.490330      8.252094
  C      -2.016954     -4.180771      7.775818
  C      -2.378837     -4.540215      6.458800
  N      -3.570857     -4.255457      5.885159
  C      -4.649649     -3.900635      6.596031
  C      -5.029211     -4.493418      7.836279
  O      -4.567734     -5.419034      8.445676
  Cl     -6.532134     -3.639326      8.494569
  H      -2.602449     -3.061716     -0.832446
  H      -1.622541     -0.849285     -1.154277
  H      -1.236673      0.676092      0.780873
  H      -1.708982     -0.100722      3.085059
  H      -2.569838     -2.104066      5.707779
  H      -6.503487     -7.712625      5.847217
  H      -8.799860     -6.990932      6.445015
  H      -9.632470     -4.765164      5.775276
  H      -8.164663     -3.198712      4.529968
  H      -6.341710     -1.951300      4.501099
  H       0.625318     -5.944709      5.503065
  H       1.159498     -5.392818      7.825029
  H      -0.483535     -4.186725      9.258560
  H      -2.717391     -3.625188      8.393085
  H      -5.356649     -3.220794      6.136090
  N      -5.932038     -5.499678      1.686669
  N      -6.787216     -5.618625      1.076213
73
Coordinates from ORCA-job orca E -7352.622281582460
  N      -3.262291     -4.071966      1.670634
  C      -3.560359     -4.985612      0.580415
  C      -3.792219     -6.358790      1.147654
  N      -3.097437     -6.512112      2.403071
  C      -3.492976     -7.767067      3.124622
  C      -4.114223     -7.443498      4.480005
  N      -4.751702     -6.153331      4.344928
  Mo     -3.611818     -4.591137      3.669493
  N      -1.781517     -5.339301      4.329391
  C      -0.902125     -6.124025      3.472944
  C      -1.624461     -6.440765      2.173546
  H      -0.617629     -7.047745      4.003156
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  H      -4.950346     -6.554217      1.280472
  C      -2.677805     -2.900420      1.351489
  C      -2.372708     -2.450531      0.042725
  C      -1.833031     -1.192504     -0.137083
  C      -1.598540     -0.332736      0.957614
  C      -1.851623     -0.761094      2.239872
  C      -2.342079     -2.065637      2.458021
  N      -2.611459     -2.587115      3.693383
  C      -2.012659     -2.074773      4.773278
  C      -0.669516     -1.628727      4.930196
  O      -0.209036     -1.035898      5.879982
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  C      -6.857423     -6.723294      5.546002
  C      -8.145175     -6.304786      5.889398
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  C      -7.775652     -4.161819      4.829467
  C      -6.475658     -4.550482      4.501072
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  C      -5.512581     -1.756206      2.458274
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  C      -0.125383     -5.485055      6.137915
  C       0.178976     -5.158851      7.440879
  C      -0.754179     -4.481687      8.256636
  C      -2.006999     -4.173861      7.780843
  C      -2.370942     -4.538738      6.465739
  N      -3.565934     -4.258411      5.891763
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  C      -5.025547     -4.507226      7.842691
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  H      -2.609631     -3.056620     -0.827192
  H      -1.634050     -0.842567     -1.149284
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  H      -8.146356     -3.183192      4.531498
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  H       0.630857     -5.949521      5.511112
  H       1.169925     -5.386853      7.830699
  H      -0.470835     -4.174608      9.261793
  H      -2.706971     -3.616450      8.397178
  H      -5.360664     -3.237135      6.142420
  N      -5.972363     -5.507751      1.655883
  N      -6.832738     -5.605132      1.042243
73
Coordinates from ORCA-job orca E -7352.631895387080
  N      -3.264416     -4.073003      1.677589
  C      -3.560981     -4.983657      0.584927
  C      -3.788118     -6.361203      1.146221
  N      -3.097341     -6.513299      2.407570
  C      -3.497191     -7.769484      3.123027
  C      -4.117827     -7.444749      4.478759
  N      -4.752340     -6.153270      4.339132
  Mo     -3.605527     -4.596021      3.675479
  N      -1.778342     -5.346301      4.338295
  C      -0.902983     -6.138600      3.484183
  C      -1.623324     -6.443161      2.181832
  H      -0.629427     -7.066676      4.013098
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  H      -1.280247     -7.392273      1.742069
  H      -1.434544     -5.649670      1.454229
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  H      -2.701216     -5.004689     -0.101076
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  H      -3.531249     -7.192118      0.465440
  H      -4.928101     -6.559734      1.267793
  C      -2.684651     -2.897581      1.357921
  C      -2.385838     -2.443825      0.048607
  C      -1.851218     -1.183555     -0.131532
  C      -1.615422     -0.323719      0.963343
  C      -1.861966     -0.755579      2.245991
  C      -2.346920     -2.062732      2.463669
  N      -2.606789     -2.589238      3.699428
  C      -2.004949     -2.079994      4.779209
  C      -0.663014     -1.622173      4.930515
  O      -0.203448     -1.027117      5.878994
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  C      -6.016633     -5.863126      4.814960
  C      -6.859036     -6.720653      5.539738
  C      -8.144388     -6.296442      5.880591
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  C      -7.765749     -4.153393      4.820216
  C      -6.466267     -4.548512      4.493897
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  C      -5.520630     -1.771337      2.432645
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  C      -1.998313     -4.171499      7.787146
  C      -2.363445     -4.539377      6.472939
  N      -3.560854     -4.261301      5.897798
  C      -4.643242     -3.914309      6.611855
  C      -5.016293     -4.510602      7.853910
  O      -4.546682     -5.436133      8.462062
  Cl     -6.542880     -3.689752      8.498739
  H      -2.624139     -3.049360     -0.821545
  H      -1.657136     -0.831504     -1.144220
  H      -1.270538      0.694360      0.791153
  H      -1.723339     -0.093661      3.098869
  H      -2.540398     -2.134581      5.725378
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  H      -8.800375     -6.961671      6.440764
  H      -9.612387     -4.725222      5.769037
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  H      -6.290771     -1.935760      4.472502
  H       0.635142     -5.958072      5.519729
  H       1.178181     -5.388206      7.838565
  H      -0.460617     -4.170749      9.267830
  H      -2.698290     -3.612882      8.402862
  H      -5.361116     -3.246672      6.150563
  N      -6.015082     -5.520233      1.627462
  N      -6.881844     -5.595133      1.011141
73
Coordinates from ORCA-job orca E -7352.640268115384
  N      -3.264042     -4.073716      1.684160
  C      -3.562303     -4.980863      0.589647
  C      -3.785678     -6.362808      1.145199
  N      -3.096858     -6.513514      2.411775
  C      -3.500191     -7.771026      3.121871
  C      -4.120549     -7.445450      4.477756
  N      -4.752771     -6.153025      4.334032
  Mo     -3.598443     -4.600722      3.680530
  N      -1.774310     -5.353287      4.345604
  C      -0.903545     -6.152968      3.493379
  C      -1.622380     -6.444800      2.188189
  H      -0.641067     -7.085432      4.020710
  H       0.036446     -5.617268      3.283147
  H      -1.280184     -7.390533      1.740099
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  H      -2.626528     -8.427398      3.221153
  H      -2.705027     -4.995805     -0.100348
  H      -4.423067     -4.622366      0.003846
  H      -3.513055     -7.184383      0.458388
  H      -4.907350     -6.562688      1.258541
  C      -2.687518     -2.895371      1.364254
  C      -2.393543     -2.438447      0.054536
  C      -1.863456     -1.176258     -0.125715
  C      -1.627990     -0.315886      0.969336
  C      -1.870006     -0.750354      2.252193
  C      -2.349254     -2.060136      2.469455
  N      -2.602340     -2.591107      3.705201
  C      -2.000448     -2.083772      4.785972
  C      -0.660018     -1.615310      4.935590
  O      -0.205104     -1.012209      5.880812
  Cl      0.528435     -2.247242      3.651708
  C      -6.012910     -5.862296      4.811036
  C      -6.858907     -6.717582      5.536158
  C      -8.141150     -6.287684      5.876848
  C      -8.591740     -5.019417      5.506733
  C      -7.755497     -4.144961      4.814997
  C      -6.456986     -4.546337      4.488596
  N      -5.509999     -3.778557      3.778383
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  C      -0.113030     -5.495307      6.153056
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  C      -1.988658     -4.169317      7.791583
  C      -2.355389     -4.540431      6.478511
  N      -3.554775     -4.263455      5.902054
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  C      -5.008503     -4.511525      7.861672
  O      -4.538567     -5.438865      8.469229
  Cl     -6.541211     -3.698622      8.501938
  H      -2.632746     -3.043735     -0.815717
  H      -1.672907     -0.822514     -1.138695
  H      -1.287588      0.703815      0.796840
  H      -1.732244     -0.088907      3.105826
  H      -2.531987     -2.146397      5.733650
  H      -6.517830     -7.705522      5.839004
  H      -8.799649     -6.949935      6.437883
  H      -9.603145     -4.708567      5.764775
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  H       0.639024     -5.968489      5.526719
  H       1.186400     -5.392087      7.844978
  H      -0.449635     -4.167917      9.272049
  H      -2.688112     -3.608730      8.406446
  H      -5.357790     -3.250829      6.156583
  N      -6.057841     -5.531352      1.602943
  N      -6.931369     -5.582644      0.985754
73
Coordinates from ORCA-job orca E -7352.647273961310
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  C      -3.563022     -4.977797      0.593369
  C      -3.782380     -6.364599      1.142420
  N      -3.095962     -6.513777      2.414202
  C      -3.502698     -7.772487      3.118807
  C      -4.123434     -7.446055      4.474607
  N      -4.752443     -6.151883      4.327891
  Mo     -3.591507     -4.605622      3.684797
  N      -1.772006     -5.359533      4.352651
  C      -0.904846     -6.166606      3.502901
  C      -1.620593     -6.445862      2.194383
  H      -0.653646     -7.103349      4.028666
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  H      -1.278592     -7.388150      1.738455
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  H      -2.708705     -4.985781     -0.101167
  H      -4.427622     -4.618716      0.013290
  H      -3.494593     -7.176430      0.449463
  H      -4.895215     -6.570068      1.248274
  C      -2.689667     -2.892666      1.371052
  C      -2.400476     -2.432229      0.061081
  C      -1.874366     -1.168305     -0.119079
  C      -1.638246     -0.307824      0.976368
  C      -1.875936     -0.745154      2.259356
  C      -2.350966     -2.057095      2.475875
  N      -2.598213     -2.592195      3.711394
  C      -1.996128     -2.087457      4.793514
  C      -0.657415     -1.607202      4.940902
  O      -0.205339     -1.002286      5.885812
  Cl      0.533191     -2.236308      3.658955
  C      -6.007629     -5.861086      4.807249
  C      -6.857264     -6.714076      5.533406
  C      -8.135532     -6.278027      5.874964
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  C      -7.743294     -4.135283      4.811706
  C      -6.445635     -4.543273      4.484115
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  C      -0.727175     -4.477215      8.273373
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  N      -3.550443     -4.265850      5.905379
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  C      -5.001782     -4.516224      7.868908
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  H      -2.640860     -3.037232     -0.809285
  H      -1.687233     -0.812566     -1.132270
  H      -1.301444      0.713244      0.803634
  H      -1.738400     -0.084651      3.114073
  H      -2.523082     -2.159292      5.742940
  H      -6.520645     -7.703771      5.836262
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  H       1.192572     -5.396140      7.852575
  H      -0.441291     -4.165953      9.277234
  H      -2.680515     -3.605124      8.410262
  H      -5.358555     -3.258741      6.162461
  N      -6.103617     -5.544691      1.576189
  N      -6.984562     -5.572960      0.959113
73
Coordinates from ORCA-job orca E -7352.653423927336
  N      -3.259284     -4.075118      1.697394
  C      -3.565954     -4.974683      0.599110
  C      -3.782298     -6.366063      1.143591
  N      -3.094474     -6.513711      2.419406
  C      -3.503366     -7.773790      3.120931
  C      -4.125489     -7.446886      4.476105
  N      -4.753179     -6.152232      4.325518
  Mo     -3.583131     -4.611060      3.688977
  N      -1.765976     -5.366754      4.357825
  C      -0.904124     -6.180960      3.509427
  C      -1.619501     -6.448259      2.198653
  H      -0.663770     -7.121535      4.033908
  H       0.049080     -5.665556      3.307101
  H      -1.278899     -7.387397      1.734922
  H      -1.424692     -5.634516      1.494627
  H      -4.852677     -8.219776      4.760021
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  H      -4.248519     -8.282093      2.496282
  H      -2.634993     -8.437608      3.218402
  H      -2.717652     -4.978398     -0.103066
  H      -4.437316     -4.615480      0.029092
  H      -3.475495     -7.166767      0.445370
  H      -4.874434     -6.568793      1.246739
  C      -2.691139     -2.890084      1.377414
  C      -2.408694     -2.425399      0.067156
  C      -1.888202     -1.159152     -0.112399
  C      -1.652296     -0.299126      0.983903
  C      -1.884850     -0.739631      2.266870
  C      -2.353341     -2.054474      2.482414
  N      -2.594150     -2.594879      3.717472
  C      -1.992313     -2.091004      4.800219
  C      -0.656409     -1.597990      4.945337
  O      -0.209889     -0.982954      5.886049
  Cl      0.536971     -2.217754      3.663076
  C      -6.005434     -5.860156      4.804169
  C      -6.858414     -6.710581      5.530929
  C      -8.134100     -6.269524      5.872168
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  C      -7.736119     -4.128125      4.806135
  C      -6.439360     -4.541535      4.478651
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  C      -4.627836     -3.921162      6.625929
  C      -4.995223     -4.516793      7.872161
  O      -4.522728     -5.445918      8.479593
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  H      -2.650320     -3.029829     -0.803400
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  H      -1.319983      0.723626      0.811662
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  H      -9.584644     -4.675097      5.759790
  H      -8.087928     -3.142386      4.505942
  H      -6.223385     -1.908922      4.411004
  H       0.645881     -5.989475      5.539795
  H       1.200039     -5.402134      7.858187
  H      -0.431629     -4.165339      9.280100
  H      -2.670666     -3.602456      8.411581
  H      -5.351740     -3.259006      6.165760
  N      -6.145092     -5.553388      1.560672
  N      -7.033504     -5.558705      0.946565
73
Coordinates from ORCA-job orca E -7352.658457220354
  N      -3.255676     -4.076031      1.704317
  C      -3.567050     -4.970986      0.602431
  C      -3.779114     -6.367217      1.139972
  N      -3.093221     -6.513368      2.420382
  C      -3.504588     -7.774514      3.117031
  C      -4.127879     -7.447007      4.471725
  N      -4.751879     -6.150150      4.319317
  Mo     -3.576229     -4.615608      3.692296
  N      -1.764847     -5.371853      4.363493
  C      -0.905879     -6.192887      3.517621
  C      -1.617343     -6.448303      2.203598
  H      -0.676444     -7.137322      4.040507
  H       0.053651     -5.686964      3.320884
  H      -1.276539     -7.384045      1.732766
  H      -1.419842     -5.628014      1.507811
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  H      -3.457854     -7.157637      0.436183
  H      -4.870683     -6.578435      1.237964
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  C      -2.411214     -2.420506      0.073850
  C      -1.894338     -1.152776     -0.105844
  C      -1.658892     -0.292017      0.990620
  C      -1.888598     -0.734531      2.273687
  C      -2.352929     -2.051404      2.488870
  N      -2.590388     -2.594677      3.723639
  C      -1.990757     -2.092955      4.808778
  C      -0.656505     -1.589777      4.955333
  O      -0.215445     -0.970259      5.895051
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  C      -5.999202     -5.858823      4.800450
  C      -6.855505     -6.707324      5.528472
  C      -8.126990     -6.260684      5.871000
  C      -8.564696     -4.981611      5.498710
  C      -7.723763     -4.118933      4.803834
  C      -6.427466     -4.538291      4.474593
  N      -5.481359     -3.796349      3.759561
  C      -5.747384     -2.465654      3.572512
  C      -5.576954     -1.851406      2.313022
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  C      -0.098040     -5.513777      6.171792
  C       0.215530     -5.174181      7.472233
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  C      -1.965314     -4.166198      7.802808
  C      -2.334574     -4.544022      6.491739
  N      -3.539516     -4.270237      5.909350
  C      -4.624207     -3.924078      6.631045
  C      -4.986868     -4.519799      7.879611
  O      -4.504958     -5.443298      8.491142
  Cl     -6.516582     -3.709039      8.529719
  H      -2.653647     -3.025205     -0.796522
  H      -1.714073     -0.792846     -1.119210
  H      -1.329888      0.731903      0.817805
  H      -1.753056     -0.074897      3.129851
  H      -2.512242     -2.179087      5.759692
  H      -6.526303     -7.699563      5.832383
  H      -8.791561     -6.914010      6.436281
  H      -9.571751     -4.657719      5.760151
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  H       0.647474     -5.999191      5.545583
  H       1.205050     -5.408077      7.864846
  H      -0.424510     -4.166455      9.285011
  H      -2.664153     -3.600858      8.415157
  H      -5.351070     -3.263412      6.173195
  N      -6.194397     -5.567155      1.534297
  N      -7.090994     -5.551699      0.923766
73
Coordinates from ORCA-job orca E -7352.662941297282
  N      -3.250545     -4.076349      1.710590
  C      -3.570429     -4.966963      0.607566
  C      -3.778837     -6.368035      1.140172
  N      -3.091023     -6.512915      2.424311
  C      -3.503886     -7.775451      3.118493
  C      -4.129889     -7.447897      4.472034
  N      -4.752194     -6.150093      4.316942
  Mo     -3.567848     -4.621163      3.695525
  N      -1.759552     -5.377929      4.367588
  C      -0.905095     -6.205634      3.523265
  C      -1.615426     -6.450178      2.206925
  H      -0.686118     -7.153335      4.045160
  H       0.060336     -5.709677      3.329684
  H      -1.275688     -7.382986      1.729263
  H      -1.416634     -5.624098      1.518172
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  H      -4.247969     -8.277210      2.487518
  H      -2.639143     -8.444017      3.217329
  H      -2.734318     -4.959185     -0.109724
  H      -4.454260     -4.604174      0.059039
  H      -3.438740     -7.146812      0.432125
  H      -4.856047     -6.578777      1.237685
  C      -2.689556     -2.885112      1.390732
  C      -2.417226     -2.413470      0.080232
  C      -1.904728     -1.143905     -0.098541
  C      -1.668374     -0.284296      0.999055
  C      -1.893692     -0.729901      2.281962
  C      -2.353452     -2.048920      2.495814
  N      -2.586467     -2.596695      3.729903
  C      -1.986950     -2.096102      4.815583
  C      -0.655830     -1.579968      4.959388
  O      -0.218893     -0.955383      5.897320
  Cl      0.545912     -2.193547      3.683884
  C      -5.996781     -5.857521      4.797670
  C      -6.856151     -6.703352      5.526833
  C      -8.124727     -6.251679      5.869819
  C      -8.558748     -4.970071      5.496362
  C      -7.716491     -4.111281      4.799712
  C      -6.421144     -4.535997      4.469572
  N      -5.475227     -3.801570      3.753414
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  C      -5.582668     -1.872929      2.283379
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  C      -0.092485     -5.518982      6.176753
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  C      -0.704377     -4.479089      8.284282
  C      -1.958290     -4.165456      7.804478
  C      -2.327881     -4.545676      6.494097
  N      -3.534159     -4.273172      5.909733
  C      -4.619960     -3.927669      6.632345
  C      -4.982302     -4.525561      7.880307
  O      -4.500399     -5.451034      8.490466
  Cl     -6.513672     -3.717510      8.530880
  H      -2.661366     -3.017401     -0.790326
  H      -1.728315     -0.781238     -1.111762
  H      -1.342398      0.740850      0.826995
  H      -1.758077     -0.071105      3.138917
  H      -2.504380     -2.189581      5.767914
  H      -6.530124     -7.696436      5.831930
  H      -8.790834     -6.901953      6.437048
  H      -9.564385     -4.642278      5.758981
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  H      -6.179801     -1.888867      4.361896
  H       0.651387     -6.007707      5.550795
  H       1.210850     -5.412086      7.870554
  H      -0.417746     -4.165479      9.287749
  H      -2.657140     -3.598681      8.415745
  H      -5.347619     -3.267106      6.175406
  N      -6.239792     -5.576278      1.519054
  N      -7.145030     -5.540514      0.915272
73
Coordinates from ORCA-job orca E -7352.666623095842
  N      -3.245868     -4.077998      1.717148
  C      -3.574170     -4.964373      0.611798
  C      -3.777602     -6.370117      1.139119
  N      -3.089167     -6.512942      2.427005
  C      -3.502860     -7.776403      3.118803
  C      -4.131600     -7.448149      4.471095
  N      -4.751050     -6.148594      4.313884
  Mo     -3.560505     -4.626217      3.698685
  N      -1.757054     -5.382246      4.371793
  C      -0.905569     -6.216219      3.529609
  C      -1.613238     -6.451191      2.210947
  H      -0.696270     -7.166756      4.050714
  H       0.065203     -5.729044      3.340121
  H      -1.273639     -7.381252      1.727521
  H      -1.412867     -5.619813      1.528883
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  H      -3.369244     -7.407632      5.265644
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  H      -2.639006     -8.445935      3.219806
  H      -2.745375     -4.950949     -0.114146
  H      -4.464834     -4.599172      0.075948
  H      -3.421832     -7.138439      0.427330
  H      -4.852603     -6.587265      1.235998
  C      -2.688594     -2.883763      1.396575
  C      -2.422010     -2.409307      0.085649
  C      -1.913787     -1.138115     -0.093636
  C      -1.677051     -0.278069      1.004069
  C      -1.898323     -0.725504      2.287251
  C      -2.353252     -2.046608      2.501262
  N      -2.582681     -2.596965      3.735368
  C      -1.984454     -2.097885      4.822469
  C      -0.655090     -1.572134      4.966692
  O      -0.224105     -0.938667      5.900903
  Cl      0.551473     -2.182260      3.694541
  C      -5.992824     -5.856612      4.793933
  C      -6.855661     -6.700623      5.523461
  C      -8.121245     -6.244448      5.866059
  C      -8.551632     -4.959564      5.491667
  C      -7.708027     -4.104172      4.794670
  C      -6.412818     -4.533850      4.463987
  N      -5.467154     -3.806751      3.748072
  C      -5.730864     -2.471106      3.532200
  C      -5.590573     -1.888244      2.260976
  O      -5.392558     -2.360646      1.161009
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  C      -0.087515     -5.522246      6.181075
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  C      -1.951498     -4.163524      7.806773
  C      -2.321614     -4.545916      6.497064
  N      -3.529747     -4.274783      5.910562
  C      -4.615995     -3.929953      6.635607
  C      -4.976308     -4.530124      7.883703
  O      -4.495165     -5.460069      8.489948
  Cl     -6.513012     -3.730718      8.532573
  H      -2.667785     -3.013553     -0.784424
  H      -1.741201     -0.773686     -1.107104
  H      -1.354524      0.748242      0.831380
  H      -1.763449     -0.066647      3.144509
  H      -2.499933     -2.196896      5.775138
  H      -6.532833     -7.694702      5.829400
  H      -8.789252     -6.892138      6.434330
  H      -9.556142     -4.628282      5.755039
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  H      -0.410284     -4.163329      9.290483
  H      -2.650486     -3.595803      8.417385
  H      -5.345256     -3.269504      6.180830
  N      -6.291851     -5.589546      1.499888
  N      -7.206524     -5.536609      0.904415
73
Coordinates from ORCA-job orca E -7352.669780943277
  N      -3.239475     -4.078183      1.721886
  C      -3.578941     -4.960290      0.616260
  C      -3.778024     -6.370289      1.139356
  N      -3.086434     -6.511497      2.430102
  C      -3.499647     -7.776480      3.120700
  C      -4.132401     -7.448786      4.471173
  N      -4.751105     -6.148807      4.311732
  Mo     -3.552870     -4.630982      3.700463
  N      -1.751900     -5.386048      4.373483
  C      -0.904088     -6.225106      3.532382
  C      -1.611157     -6.451535      2.212058
  H      -0.703361     -7.177989      4.052854
  H       0.071235     -5.746128      3.345279
  H      -1.272407     -7.379098      1.723158
  H      -1.410573     -5.615443      1.535652
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  H      -3.403977     -7.127093      0.425076
  H      -4.841183     -6.587186      1.238657
  C      -2.683715     -2.882749      1.401348
  C      -2.420189     -2.406261      0.090427
  C      -1.913578     -1.134471     -0.088229
  C      -1.676807     -0.274950      1.010168
  C      -1.897135     -0.723458      2.293174
  C      -2.349920     -2.045587      2.506425
  N      -2.579727     -2.597747      3.739920
  C      -1.984329     -2.098245      4.827968
  C      -0.658066     -1.562000      4.972421
  O      -0.233093     -0.923000      5.905198
  Cl      0.554551     -2.174587      3.708261
  C      -5.991824     -5.856597      4.789282
  C      -6.857394     -6.699302      5.518291
  C      -8.121398     -6.240272      5.859864
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  C      -1.947462     -4.165670      7.807494
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  N      -3.525004     -4.276999      5.909071
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  C      -4.968117     -4.532521      7.884636
  O      -4.478180     -5.455325      8.495704
  Cl     -6.489573     -3.717373      8.550826
  H      -2.667251     -3.010154     -0.779542
  H      -1.742337     -0.768673     -1.101477
  H      -1.355147      0.751742      0.837883
  H      -1.763002     -0.064497      3.150523
  H      -2.499001     -2.201271      5.780553
  H      -6.536550     -7.693760      5.825295
  H      -8.790767     -6.886161      6.428652
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  H      -0.407849     -4.167073      9.293363
  H      -2.647558     -3.598659      8.417756
  H      -5.340503     -3.270011      6.183435
  N      -6.340710     -5.597937      1.487209
  N      -7.264791     -5.529026      0.902902
73
Coordinates from ORCA-job orca E -7352.672432543906
  N      -3.234443     -4.080032      1.727635
  C      -3.584256     -4.958479      0.620634
  C      -3.777749     -6.372846      1.139727
  N      -3.084219     -6.511882      2.433456
  C      -3.497315     -7.777718      3.123058
  C      -4.134245     -7.449328      4.471590
  N      -4.750387     -6.147723      4.310238
  Mo     -3.545874     -4.636207      3.703145
  N      -1.749122     -5.389134      4.376567
  C      -0.903622     -6.233628      3.537518
  C      -1.608733     -6.453296      2.215519
  H      -0.710838     -7.188283      4.058066
  H       0.075847     -5.761918      3.353377
  H      -1.270299     -7.379017      1.722647
  H      -1.407017     -5.613450      1.543971
  H      -4.866603     -8.223181      4.741371
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  H      -2.773787     -4.936600     -0.125321
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  H      -3.388788     -7.119986      0.423442
  H      -4.839530     -6.595362      1.241384
  C      -2.682668     -2.881861      1.406176
  C      -2.425413     -2.402620      0.094798
  C      -1.922096     -1.129589     -0.084304
  C      -1.683297     -0.270382      1.014333
  C      -1.899281     -0.720645      2.297650
  C      -2.348802     -2.044210      2.511061
  N      -2.575734     -2.598309      3.744687
  C      -1.980111     -2.100450      4.833283
  C      -0.655810     -1.554616      4.976076
  O      -0.234490     -0.910336      5.906456
  Cl      0.559150     -2.162741      3.712256
  C      -5.989418     -5.855564      4.786157
  C      -6.858276     -6.696464      5.515215
  C      -8.119810     -6.233346      5.856304
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  C      -7.697941     -4.093641      4.783436
  C      -6.403077     -4.530952      4.452467
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  C      -1.941683     -4.160438      7.807943
  C      -2.311043     -4.546230      6.499037
  N      -3.521940     -4.279038      5.908664
  C      -4.610229     -3.938088      6.636690
  C      -4.967558     -4.545405      7.882593
  O      -4.480081     -5.475127      8.486982
  Cl     -6.501191     -3.747417      8.542376
  H      -2.674780     -3.006517     -0.774694
  H      -1.754871     -0.761970     -1.097773
  H      -1.363940      0.757138      0.841628
  H      -1.764608     -0.061774      3.155185
  H      -2.491537     -2.209150      5.786925
  H      -6.540277     -7.691787      5.823049
  H      -8.791098     -6.876912      6.425789
  H      -9.547209     -4.607395      5.744291
  H      -8.029256     -3.100953      4.479896
  H      -6.120878     -1.867132      4.313663
  H       0.662919     -6.019379      5.560676
  H       1.227454     -5.412132      7.882562
  H      -0.401149     -4.158610      9.293816
  H      -2.642143     -3.592622      8.417279
  H      -5.342005     -3.277558      6.185628
  N      -6.395374     -5.610548      1.472117
  N      -7.329782     -5.528469      0.899598
73
Coordinates from ORCA-job orca E -7352.674679438519
  N      -3.228028     -4.080817      1.732124
  C      -3.590453     -4.955457      0.625170
  C      -3.778401     -6.373690      1.140787
  N      -3.081474     -6.510646      2.436611
  C      -3.492931     -7.777677      3.125969
  C      -4.134765     -7.449360      4.472197
  N      -4.749697     -6.146989      4.309025
  Mo     -3.539118     -4.640177      3.704854
  N      -1.745258     -5.390675      4.377462
  C      -0.901939     -6.239003      3.539496
  C      -1.606440     -6.453233      2.216559
  H      -0.715452     -7.195015      4.060039
  H       0.080681     -5.773176      3.357202
  H      -1.268593     -7.377377      1.720244
  H      -1.404838     -5.610244      1.548777
  H      -4.868242     -8.223418      4.738589
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  H      -4.224594     -8.282543      2.483335
  H      -2.626280     -8.441990      3.236941
  H      -2.790452     -4.929941     -0.131617
  H      -4.505812     -4.584639      0.136718
  H      -3.374381     -7.111049      0.423313
  H      -4.835364     -6.599341      1.246816
  C      -2.677293     -2.881837      1.409872
  C      -2.422978     -2.401561      0.098182
  C      -1.921141     -1.128102     -0.081302
  C      -1.682330     -0.268547      1.017327
  C      -1.897303     -0.718965      2.300808
  C      -2.344467     -2.043457      2.514629
  N      -2.572457     -2.597788      3.748254
  C      -1.980258     -2.099589      4.838126
  C      -0.658056     -1.546260      4.983243
  O      -0.244016     -0.893055      5.910236
  Cl      0.563936     -2.155918      3.727389
  C      -5.988303     -5.855365      4.781948
  C      -6.859883     -6.695623      5.509716
  C      -8.120355     -6.230507      5.849035
  C      -8.542786     -4.939270      5.472435
  C      -7.695125     -4.090579      4.776602
  C      -6.399758     -4.530121      4.446632
  N      -5.454040     -3.818177      3.733206
  C      -5.709538     -2.475725      3.492925
  C      -5.603077     -1.921935      2.212203
  O      -5.433473     -2.417590      1.113345
  Cl     -5.848551     -0.057595      2.303899
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  C      -0.072434     -5.524389      6.188017
  C       0.243651     -5.177355      7.488374
  C      -0.683307     -4.475869      8.291731
  C      -1.938166     -4.162211      7.808645
  C      -2.306246     -4.547165      6.499268
  N      -3.517780     -4.280371      5.907127
  C      -4.605649     -3.939673      6.637622
  C      -4.959790     -4.549234      7.883288
  O      -4.468920     -5.478685      8.486400
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  H      -2.673699     -3.005713     -0.770787
  H      -1.755466     -0.759781     -1.094843
  H      -1.364068      0.759304      0.844179
  H      -1.763684     -0.059239      3.157915
  H      -2.492593     -2.210475      5.790923
  H      -6.543529     -7.691295      5.818376
  H      -8.793195     -6.872864      6.418162
  H      -9.545534     -4.601507      5.735595
  H      -8.023605     -3.097119      4.472181
  H      -6.104499     -1.861891      4.302863
  H       0.667417     -6.019852      5.561355
  H       1.231805     -5.412879      7.885037
  H      -0.398726     -4.161843      9.296228
  H      -2.640069     -3.596150      8.418254
  H      -5.337581     -3.277014      6.189925
  N      -6.450774     -5.620338      1.460554
  N      -7.395303     -5.527104      0.902333
73
Coordinates from ORCA-job orca E -7352.676575829894
  N      -3.221754     -4.081496      1.736512
  C      -3.597143     -4.952576      0.629841
  C      -3.779074     -6.374685      1.142309
  N      -3.078596     -6.510009      2.439843
  C      -3.488454     -7.778146      3.129232
  C      -4.136017     -7.449843      4.472860
  N      -4.749331     -6.146383      4.308388
  Mo     -3.532875     -4.644294      3.706548
  N      -1.741872     -5.391633      4.378302
  C      -0.899824     -6.243125      3.541493
  C      -1.603807     -6.453958      2.217832
  H      -0.718145     -7.199867      4.062553
  H       0.085112     -5.781686      3.360582
  H      -1.266603     -7.377302      1.719491
  H      -1.402151     -5.609002      1.552446
  H      -4.871046     -8.223796      4.735499
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  H      -2.619757     -8.438913      3.245188
  H      -2.808140     -4.923459     -0.138053
  H      -4.520838     -4.579925      0.158862
  H      -3.361840     -7.103491      0.424217
  H      -4.833413     -6.604296      1.253800
  C      -2.672940     -2.881318      1.413584
  C      -2.422475     -2.399314      0.101672
  C      -1.921544     -1.125545     -0.077836
  C      -1.680743     -0.266685      1.021138
  C      -1.893804     -0.717934      2.304720
  C      -2.340149     -2.042881      2.518509
  N      -2.568613     -2.597683      3.752099
  C      -1.977503     -2.100388      4.842579
  C      -0.657427     -1.539205      4.987379
  O      -0.247042     -0.883170      5.913649
  Cl      0.567998     -2.147881      3.734649
  C      -5.987455     -5.854482      4.779173
  C      -6.861491     -6.693634      5.506315
  C      -8.120619     -6.225983      5.844868
  C      -8.540718     -4.932980      5.467926
  C      -7.691825     -4.086153      4.772446
  C      -6.396483     -4.528413      4.442529
  N      -5.450836     -3.820521      3.729331
  C      -5.703501     -2.476532      3.482187
  C      -5.601430     -1.930020      2.199360
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  Cl     -5.846851     -0.065816      2.280027
  C      -1.335528     -5.179306      5.659466
  C      -0.067434     -5.521123      6.188881
  C       0.248554     -5.172646      7.489284
  C      -0.679404     -4.471745      8.291789
  C      -1.934883     -4.159624      7.808159
  C      -2.302331     -4.546169      6.499126
  N      -3.515332     -4.282544      5.905374
  C      -4.604941     -3.945786      6.637038
  C      -4.959204     -4.562587      7.879071
  O      -4.466882     -5.494404      8.478333
  Cl     -6.490257     -3.767859      8.551012
  H      -2.675183     -3.003159     -0.767016
  H      -1.757942     -0.756040     -1.091387
  H      -1.362742      0.761342      0.847969
  H      -1.759581     -0.058085      3.161727
  H      -2.488362     -2.215396      5.795693
  H      -6.546932     -7.689805      5.815562
  H      -8.794936     -6.866894      6.414052
  H      -9.543027     -4.593537      5.731033
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  H      -6.091114     -1.856572      4.291039
  H       0.672393     -6.016665      5.562024
  H       1.236936     -5.406854      7.886400
  H      -0.395639     -4.157242      9.296485
  H      -2.637854     -3.594431      8.417473
  H      -5.338048     -3.282781      6.191458
  N      -6.508223     -5.630069      1.450307
  N      -7.462983     -5.527943      0.907288
73
Coordinates from ORCA-job orca E -7352.678185953017
  N      -3.215294     -4.082191      1.739964
  C      -3.604656     -4.950148      0.634733
  C      -3.780342     -6.375568      1.144762
  N      -3.075500     -6.509031      2.443121
  C      -3.482535     -7.778169      3.133408
  C      -4.136231     -7.449858      4.474174
  N      -4.748516     -6.145745      4.308216
  Mo     -3.527256     -4.647363      3.707681
  N      -1.738341     -5.390935      4.377744
  C      -0.896833     -6.244125      3.541480
  C      -1.601250     -6.453760      2.217882
  H      -0.717692     -7.201003      4.063245
  H       0.089248     -5.785069      3.360923
  H      -1.264689     -7.376877      1.718665
  H      -1.400540     -5.607861      1.553306
  H      -4.872672     -8.223771      4.733114
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  H      -2.610978     -8.434079      3.254985
  H      -2.827292     -4.918210     -0.144507
  H      -4.536538     -4.575804      0.181630
  H      -3.351813     -7.097014      0.426575
  H      -4.832396     -6.609117      1.263124
  C      -2.666726     -2.881987      1.415870
  C      -2.418393     -2.399754      0.103573
  C      -1.917734     -1.126053     -0.076632
  C      -1.676334     -0.266813      1.022074
  C      -1.889047     -0.717519      2.305917
  C      -2.334438     -2.042777      2.520570
  N      -2.565199     -2.596537      3.754424
  C      -1.977708     -2.098841      4.846135
  C      -0.659241     -1.532485      4.994191
  O      -0.255763     -0.868496      5.917494
  Cl      0.572957     -2.142131      3.748726
  C      -5.987118     -5.854257      4.775549
  C      -6.863367     -6.693232      5.500942
  C      -8.122266     -6.224642      5.837333
  C      -8.540986     -4.930565      5.459888
  C      -7.690838     -4.084462      4.765962
  C      -6.394845     -4.527849      4.437372
  N      -5.448988     -3.822135      3.725640
  C      -5.699270     -2.476826      3.475640
  C      -5.602537     -1.934102      2.191653
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  C      -1.331020     -5.177898      5.659437
  C      -0.062638     -5.518073      6.188299
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  C      -0.677109     -4.472661      8.292347
  C      -1.932960     -4.161363      7.808184
  C      -2.298725     -4.546403      6.498407
  N      -3.512193     -4.283640      5.903217
  C      -4.601624     -3.947940      6.637098
  C      -4.953755     -4.568912      7.877417
  O      -4.460433     -5.503137      8.472711
  Cl     -6.484022     -3.776436      8.555069
  H      -2.672495     -3.003885     -0.764541
  H      -1.755119     -0.756418     -1.090345
  H      -1.358450      0.761201      0.848299
  H      -1.755381     -0.056574      3.162199
  H      -2.490524     -2.214949      5.798007
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  H      -8.797964     -6.864949      6.405644
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  H      -0.394895     -4.159983      9.298116
  H      -2.637770     -3.598971      8.418204
  H      -5.334469     -3.282198      6.195082
  N      -6.567729     -5.639602      1.442668
  N      -7.532361     -5.530889      0.916155
73
Coordinates from ORCA-job orca E -7352.679560215646
  N      -3.209438     -4.082597      1.742913
  C      -3.612747     -4.947730      0.639633
  C      -3.782054     -6.376322      1.147537
  N      -3.072440     -6.508504      2.446129
  C      -3.476491     -7.778633      3.137458
  C      -4.137075     -7.450528      4.475094
  N      -4.748322     -6.145730      4.308090
  Mo     -3.522629     -4.650447      3.708439
  N      -1.735302     -5.389529      4.376671
  C      -0.893377     -6.243266      3.540725
  C      -1.598668     -6.453907      2.217522
  H      -0.714624     -7.199650      4.063564
  H       0.092782     -5.784615      3.359759
  H      -1.262711     -7.377508      1.718781
  H      -1.399137     -5.608219      1.552257
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  H      -3.395090     -7.411272      5.288348
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  H      -2.847165     -4.913324     -0.150782
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  H      -3.344319     -7.091710      0.429460
  H      -4.832440     -6.613802      1.273747
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  C      -2.413447     -2.400343      0.105375
  C      -1.911419     -1.127274     -0.075130
  C      -1.668224     -0.268377      1.023573
  C      -1.881299     -0.718549      2.307564
  C      -2.328171     -2.043320      2.522674
  N      -2.561941     -2.595824      3.756666
  C      -1.976683     -2.098503      4.849227
  C      -0.659962     -1.526871      4.998825
  O      -0.260297     -0.861305      5.922402
  Cl      0.576543     -2.136881      3.757912
  C      -5.987415     -5.854021      4.772723
  C      -6.865368     -6.692653      5.496894
  C      -8.123911     -6.222992      5.832218
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  C      -7.690103     -4.082567      4.761883
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  C      -0.057935     -5.511331      6.186877
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  C      -1.931619     -4.159022      7.806615
  C      -2.296277     -4.544816      6.496854
  N      -3.510934     -4.285625      5.900582
  C      -4.601986     -3.954063      6.635432
  C      -4.954420     -4.582788      7.871482
  O      -4.459422     -5.518905      8.462831
  Cl     -6.485651     -3.794922      8.553823
  H      -2.669096     -3.004333     -0.762428
  H      -1.748958     -0.757591     -1.088906
  H      -1.348823      0.759188      0.849574
  H      -1.746949     -0.057013      3.163311
  H      -2.489998     -2.217081      5.800582
  H      -6.552652     -7.689160      5.807316
  H      -8.800715     -6.862740      6.399946
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  H      -6.074413     -1.851775      4.280523
  H       0.683217     -6.003869      5.558951
  H       1.245547     -5.394422      7.886009
  H      -0.393911     -4.155139      9.297189
  H      -2.637981     -3.598739      8.416840
  H      -5.335434     -3.287224      6.195783
  N      -6.628901     -5.648767      1.436657
  N      -7.603123     -5.535096      0.927132
73
Coordinates from ORCA-job orca E -7352.680739613647
  N      -3.204064     -4.083155      1.744991
  C      -3.621574     -4.946048      0.644708
  C      -3.784548     -6.377188      1.151246
  N      -3.069400     -6.507944      2.449101
  C      -3.469406     -7.778875      3.142189
  C      -4.137169     -7.450912      4.476490
  N      -4.747892     -6.145841      4.308171
  Mo     -3.518938     -4.652593      3.708697
  N      -1.732391     -5.386615      4.374392
  C      -0.889266     -6.239342      3.538099
  C      -1.596361     -6.453269      2.216092
  H      -0.708283     -7.194631      4.062144
  H       0.095716     -5.778872      3.355612
  H      -1.260867     -7.377903      1.718996
  H      -1.399015     -5.608830      1.548541
  H      -4.876665     -8.224580      4.727500
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  H      -4.175584     -8.305794      2.488775
  H      -2.590868     -8.422687      3.276685
  H      -2.867840     -4.910035     -0.156627
  H      -4.568296     -4.569132      0.225814
  H      -3.340191     -7.088046      0.433364
  H      -4.833616     -6.618516      1.286382
  C      -2.653122     -2.884745      1.418556
  C      -2.405175     -2.403870      0.105616
  C      -1.900998     -1.131871     -0.075894
  C      -1.657442     -0.272161      1.022171
  C      -1.872539     -0.720374      2.306487
  C      -2.320899     -2.044482      2.522993
  N      -2.559312     -2.594293      3.757413
  C      -1.978558     -2.096173      4.851451
  C      -0.662928     -1.522109      5.005977
  O      -0.269864     -0.850391      5.927725
  Cl      0.580695     -2.133869      3.773022
  C      -5.988249     -5.854596      4.769016
  C      -6.867650     -6.693765      5.490994
  C      -8.126812     -6.224495      5.824090
  C      -8.543721     -4.929090      5.446693
  C      -7.691513     -4.083388      4.755742
  C      -6.394587     -4.527701      4.428949
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  C       0.260089     -5.157150      7.486310
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  C      -1.931265     -4.159752      7.805318
  C      -2.294114     -4.543951      6.494768
  N      -3.509274     -4.286721      5.897744
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  C      -4.950887     -4.590328      7.868236
  O      -4.455030     -5.528823      8.455239
  Cl     -6.482368     -3.805985      8.555556
  H      -2.661641     -3.008382     -0.761600
  H      -1.737368     -0.763314     -1.089914
  H      -1.336280      0.754737      0.847312
  H      -1.738619     -0.057302      3.161097
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  H      -9.546799     -4.589072      5.706725
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  H      -6.072515     -1.852754      4.282277
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  H       1.249614     -5.386287      7.883809
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  H      -2.639810     -3.603225      8.416612
  H      -5.333421     -3.287344      6.198238
  N      -6.691928     -5.657870      1.433132
  N      -7.675133     -5.540885      0.941185
73
Coordinates from ORCA-job orca E -7352.681759356844
  N      -3.199589     -4.083266      1.746620
  C      -3.630935     -4.944020      0.649705
  C      -3.787758     -6.377473      1.155055
  N      -3.066650     -6.507560      2.451447
  C      -3.462457     -7.779327      3.146137
  C      -4.137898     -7.451934      4.476951
  N      -4.748203     -6.146640      4.307813
  Mo     -3.516551     -4.654556      3.708553
  N      -1.730197     -5.382973      4.371556
  C      -0.884992     -6.233315      3.534454
  C      -1.594330     -6.452409      2.213974
  H      -0.699434     -7.186984      4.059793
  H       0.097700     -5.768971      3.349684
  H      -1.259096     -7.378566      1.719595
  H      -1.399508     -5.610158      1.542910
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  H      -2.888852     -4.906780     -0.162094
  H      -4.584100     -4.566129      0.246569
  H      -3.339328     -7.085131      0.437051
  H      -4.835747     -6.622343      1.299710
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  C      -2.394522     -2.408112      0.105939
  C      -1.886172     -1.137925     -0.076157
  C      -1.641731     -0.277839      1.021476
  C      -1.860412     -0.723770      2.305968
  C      -2.312863     -2.046354      2.523494
  N      -2.557259     -2.593070      3.758127
  C      -1.980303     -2.094695      4.853568
  C      -0.665781     -1.518585      5.012204
  O      -0.276787     -0.846494      5.935274
  Cl      0.583284     -2.132164      3.785610
  C      -5.989575     -5.855402      4.766117
  C      -6.869692     -6.695077      5.486615
  C      -8.129266     -6.226208      5.818899
  C      -8.545980     -4.930564      5.442138
  C      -7.693199     -4.084442      4.752477
  C      -6.395935     -4.528361      4.426035
  N      -5.450247     -3.823410      3.717177
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  C      -5.587180     -1.925048      2.193413
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  C      -1.320429     -5.164910      5.653911
  C      -0.048939     -5.493553      6.180010
  C       0.263686     -5.145997      7.482593
  C      -0.672586     -4.459274      8.286464
  C      -1.931424     -4.156790      7.802502
  C      -2.293104     -4.541444      6.491872
  N      -3.509460     -4.288676      5.894599
  C      -4.601902     -3.963052      6.632274
  C      -4.952117     -4.603611      7.862007
  O      -4.454148     -5.543288      8.445341
  Cl     -6.484684     -3.824052      8.553973
  H      -2.651499     -3.012889     -0.760967
  H      -1.719752     -0.770892     -1.090297
  H      -1.316971      0.747863      0.846083
  H      -1.726134     -0.059523      3.159589
  H      -2.500593     -2.212986      5.801227
  H      -6.557033     -7.691492      5.797524
  H      -8.807547     -6.866650      6.384164
  H      -9.549434     -4.591046      5.701476
  H      -8.013420     -3.088713      4.445372
  H      -6.075917     -1.855222      4.284793
  H       0.695056     -5.980004      5.550588
  H       1.254221     -5.371610      7.879626
  H      -0.394484     -4.148370      9.294071
  H      -2.641878     -3.603457      8.414485
  H      -5.335558     -3.292478      6.198353
  N      -6.756324     -5.665999      1.430873
  N      -7.748014     -5.546572      0.956563
73
Coordinates from ORCA-job orca E -7352.682640837031
  N      -3.195636     -4.083505      1.747814
  C      -3.640790     -4.942493      0.654997
  C      -3.791884     -6.377650      1.159857
  N      -3.064062     -6.507227      2.453770
  C      -3.454961     -7.779619      3.150517
  C      -4.138173     -7.452804      4.477747
  N      -4.748371     -6.147594      4.307530
  Mo     -3.514946     -4.655767      3.708241
  N      -1.728106     -5.378398      4.367980
  C      -0.880314     -6.224990      3.529340
  C      -1.592685     -6.450971      2.211069
  H      -0.687856     -7.176566      4.055896
  H       0.098980     -5.754909      3.341294
  H      -1.257566     -7.379045      1.720291
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  H      -4.880438     -8.226478      4.720390
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  H      -2.910209     -4.904825     -0.166893
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  H      -3.342380     -7.083702      0.441377
  H      -4.839004     -6.625524      1.314756
  C      -2.636505     -2.890248      1.418902
  C      -2.381539     -2.414493      0.105398
  C      -1.868489     -1.146428     -0.077751
  C      -1.624280     -0.285111      1.019002
  C      -1.847702     -0.727770      2.303770
  C      -2.304132     -2.048749      2.522972
  N      -2.555519     -2.591423      3.757966
  C      -1.983999     -2.091989      4.855345
  C      -0.669888     -1.516578      5.020876
  O      -0.286898     -0.840635      5.943565
  Cl      0.586490     -2.132536      3.802757
  C      -5.991292     -5.856889      4.762517
  C      -6.871984     -6.697791      5.480706
  C      -8.132819     -6.230562      5.811019
  C      -8.550091     -4.935219      5.434595
  C      -7.696664     -4.087844      4.747158
  C      -6.398445     -4.530100      4.422357
  N      -5.452797     -3.822917      3.715126
  C      -5.695404     -2.474888      3.478157
  C      -5.579734     -1.915796      2.201926
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  Cl     -5.811187     -0.054857      2.294080
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  C      -0.044423     -5.482713      6.174893
  C       0.267382     -5.135616      7.477949
  C      -0.671514     -4.454291      8.283065
  C      -1.931717     -4.155739      7.799882
  C      -2.292030     -4.539442      6.488739
  N      -3.509192     -4.290062      5.891673
  C      -4.601717     -3.966582      6.630997
  C      -4.949927     -4.611482      7.858521
  O      -4.450811     -5.552865      8.437963
  Cl     -6.483390     -3.836018      8.554668
  H      -2.638311     -3.020053     -0.761038
  H      -1.698218     -0.781804     -1.092121
  H      -1.295824      0.739256      0.842640
  H      -1.713911     -0.061706      3.156000
  H      -2.510193     -2.207890      5.800059
  H      -6.558697     -7.693969      5.791728
  H      -8.811522     -6.872127      6.374510
  H      -9.554447     -4.597041      5.692208
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  H      -6.084171     -1.859823      4.290530
  H       0.701304     -5.965186      5.544449
  H       1.258999     -5.357759      7.874218
  H      -0.394707     -4.144332      9.291334
  H      -2.644364     -3.606594      8.413168
  H      -5.335247     -3.293926      6.200020
  N      -6.821911     -5.673053      1.430986
  N      -7.821433     -5.551895      0.974469
73
Coordinates from ORCA-job orca E -7352.683404938932
  N      -3.192437     -4.083356      1.748604
  C      -3.650909     -4.940512      0.660054
  C      -3.796851     -6.377060      1.164667
  N      -3.061829     -6.506882      2.455302
  C      -3.447660     -7.779938      3.153835
  C      -4.138873     -7.454202      4.477421
  N      -4.749166     -6.149196      4.306498
  Mo     -3.514582     -4.656698      3.707524
  N      -1.726674     -5.373197      4.363910
  C      -0.875697     -6.214794      3.523189
  C      -1.591429     -6.449018      2.207389
  H      -0.674317     -7.163852      4.050833
  H       0.099208     -5.737303      3.331216
  H      -1.256120     -7.379266      1.720949
  H      -1.403431     -5.613530      1.526035
  H      -4.882326     -8.228073      4.715686
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  H      -2.556850     -8.401626      3.308996
  H      -2.931428     -4.902832     -0.171350
  H      -4.614885     -4.560661      0.285536
  H      -3.349040     -7.082763      0.445102
  H      -4.843113     -6.627184      1.330118
  C      -2.627044     -2.893833      1.418663
  C      -2.365722     -2.421836      0.105038
  C      -1.846091     -1.156623     -0.078765
  C      -1.601954     -0.294329      1.017267
  C      -1.831822     -0.733273      2.302138
  C      -2.294608     -2.051838      2.522663
  N      -2.554497     -2.589993      3.757742
  C      -1.988171     -2.089693      4.857103
  C      -0.674537     -1.515378      5.029148
  O      -0.295537     -0.840726      5.954413
  Cl      0.588035     -2.134010      3.818584
  C      -5.993224     -5.858737      4.759633
  C      -6.873659     -6.700892      5.476364
  C      -8.135502     -6.235398      5.806196
  C      -8.553738     -4.940470      5.430726
  C      -7.700270     -4.091726      4.744693
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  N      -5.456669     -3.822358      3.713262
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  C      -5.572777     -1.906279      2.211341
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  C      -0.040240     -5.469084      6.168917
  C       0.270941     -5.121127      7.471984
  C      -0.670668     -4.445042      8.278119
  C      -1.932629     -4.151853      7.796068
  C      -2.292010     -4.536125      6.484917
  N      -3.510506     -4.292115      5.888521
  C      -4.604141     -3.972741      6.628747
  C      -4.951000     -4.623212      7.853200
  O      -4.448996     -5.564560      8.429959
  Cl     -6.486053     -3.852918      8.553205
  H      -2.621787     -3.028062     -0.761164
  H      -1.670237     -0.794906     -1.093219
  H      -1.268137      0.728186      0.840206
  H      -1.698013     -0.065673      3.153112
  H      -2.520146     -2.203376      5.798938
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  H      -0.394833     -4.134687      9.286540
  H      -2.647328     -3.606558      8.410378
  H      -5.338588     -3.299759      6.199679
  N      -6.888295     -5.678206      1.432014
  N      -7.895133     -5.555489      0.993126
73
Coordinates from ORCA-job orca E -7352.684062124133
  N      -3.189625     -4.083700      1.749395
  C      -3.661048     -4.939371      0.665518
  C      -3.802679     -6.376734      1.170739
  N      -3.059732     -6.507000      2.457122
  C      -3.440092     -7.780423      3.157887
  C      -4.139402     -7.455622      4.477718
  N      -4.749859     -6.151001      4.305589
  Mo     -3.514628     -4.657321      3.707017
  N      -1.725174     -5.367845      4.359651
  C      -0.870851     -6.203532      3.516239
  C      -1.590502     -6.447163      2.203457
  H      -0.658857     -7.149671      4.044820
  H       0.098806     -5.717407      3.319524
  H      -1.254892     -7.379859      1.722004
  H      -1.406480     -5.616080      1.515712
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  H      -2.952212     -4.902494     -0.174844
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  H      -3.359650     -7.083652      0.449598
  H      -4.848324     -6.628156      1.347263
  C      -2.617531     -2.898274      1.418169
  C      -2.349549     -2.430616      0.104319
  C      -1.823590     -1.168245     -0.080521
  C      -1.580208     -0.304373      1.014457
  C      -1.816585     -0.739141      2.299521
  C      -2.284969     -2.055466      2.521876
  N      -2.553276     -2.588742      3.757134
  C      -1.992941     -2.087140      4.858805
  C      -0.679093     -1.516390      5.039348
  O      -0.305334     -0.839985      5.965513
  Cl      0.590593     -2.136919      3.836804
  C      -5.995626     -5.861234      4.755672
  C      -6.876099     -6.705211      5.469860
  C      -8.139796     -6.242463      5.797502
  C      -8.559413     -4.948367      5.422399
  C      -7.705478     -4.097611      4.738984
  C      -6.405454     -4.535175      4.416806
  N      -5.460625     -3.821419      3.711842
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  C      -5.561702     -1.893010      2.225338
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  C      -0.035559     -5.455498      6.162187
  C       0.275352     -5.106801      7.465172
  C      -0.668781     -4.436227      8.272790
  C      -1.932624     -4.148536      7.792324
  C      -2.291391     -4.533092      6.481162
  N      -3.511121     -4.293881      5.885949
  C      -4.604864     -3.976788      6.627558
  C      -4.949389     -4.630387      7.850514
  O      -4.445772     -5.572391      8.424493
  Cl     -6.486197     -3.864707      8.553234
  H      -2.604481     -3.037914     -0.761491
  H      -1.641976     -0.809894     -1.095149
  H      -1.241504      0.716354      0.836364
  H      -1.683333     -0.069603      3.148990
  H      -2.532591     -2.196473      5.796838
  H      -6.560683     -7.700832      5.780403
  H      -8.818320     -6.887176      6.357608
  H      -9.565688     -4.613567      5.676860
  H      -8.028908     -3.103069      4.431463
  H      -6.114633     -1.873556      4.303626
  H       0.714018     -5.929220      5.529699
  H       1.269983     -5.319479      7.859002
  H      -0.393590     -4.125536      9.281285
  H      -2.649297     -3.607312      8.407957
  H      -5.339726     -3.302910      6.200576
  N      -6.955209     -5.681608      1.435403
  N      -7.968788     -5.557361      1.014051
73
Coordinates from ORCA-job orca E -7352.684623917635
  N      -3.187551     -4.083715      1.749564
  C      -3.670969     -4.937926      0.670330
  C      -3.809040     -6.375734      1.176608
  N      -3.057774     -6.506856      2.457999
  C      -3.432385     -7.780708      3.160720
  C      -4.140153     -7.457365      4.476636
  N      -4.751182     -6.153352      4.303485
  Mo     -3.515964     -4.657545      3.705877
  N      -1.724321     -5.361634      4.354821
  C      -0.866169     -6.190318      3.508285
  C      -1.589802     -6.444343      2.198681
  H      -0.642004     -7.133143      4.037583
  H       0.097378     -5.694295      3.306389
  H      -1.253377     -7.379502      1.722679
  H      -1.410086     -5.618079      1.504101
  H      -4.885600     -8.232005      4.705840
  H      -3.421870     -7.422455      5.311564
  H      -4.097371     -8.347508      2.497011
  H      -2.533139     -8.386351      3.329512
  H      -2.971943     -4.902320     -0.178110
  H      -4.642869     -4.555453      0.319766
  H      -3.373243     -7.084826      0.453308
  H      -4.853841     -6.627540      1.364281
  C      -2.607110     -2.903231      1.417389
  C      -2.330162     -2.440792      0.103551
  C      -1.795990     -1.182059     -0.082004
  C      -1.553434     -0.316663      1.011989
  C      -1.798271     -0.746563      2.297067
  C      -2.274633     -2.059780      2.520959
  N      -2.553222     -2.587466      3.756066
  C      -1.998968     -2.084312      4.860053
  C      -0.685174     -1.517125      5.048711
  O      -0.314913     -0.844169      5.978876
  Cl      0.590901     -2.140447      3.853997
  C      -5.998092     -5.864122      4.752247
  C      -6.877603     -6.709927      5.465047
  C      -8.142655     -6.249894      5.792548
  C      -8.564082     -4.956611      5.418684
  C      -7.710514     -4.103788      4.736797
  C      -6.409793     -4.538465      4.414992
  N      -5.466071     -3.820597      3.710270
  C      -5.710334     -2.474336      3.499416
  C      -5.554906     -1.879781      2.239836
  O      -5.353171     -2.349823      1.133616
  Cl     -5.779494     -0.023537      2.374830
  C      -1.311120     -5.135572      5.635717
  C      -0.031595     -5.439527      6.154813
  C       0.278904     -5.089435      7.457518
  C      -0.668048     -4.424645      8.266511
  C      -1.933966     -4.143521      7.787724
  C      -2.292078     -4.529027      6.476703
  N      -3.513330     -4.296047      5.882929
  C      -4.608057     -3.983174      6.625306
  C      -4.950025     -4.640479      7.846499
  O      -4.442151     -5.580630      8.419406
  Cl     -6.489338     -3.880838      8.551782
  H      -2.583466     -3.049178     -0.761993
  H      -1.606791     -0.827724     -1.096637
  H      -1.208174      0.701703      0.833036
  H      -1.665250     -0.075250      3.145109
  H      -2.546289     -2.189161      5.794243
  H      -6.560643     -7.705247      5.774864
  H      -8.820390     -6.896575      6.351321
  H      -9.571221     -4.623747      5.672167
  H      -8.036284     -3.109958      4.429579
  H      -6.135391     -1.882607      4.311248
  H       0.720130     -5.908363      5.521275
  H       1.275273     -5.296474      7.849891
  H      -0.393507     -4.112936      9.274855
  H      -2.652763     -3.606494      8.404525
  H      -5.344689     -3.310476      6.199401
  N      -7.022242     -5.683182      1.439045
  N      -8.042114     -5.557381      1.034949
73
Coordinates from ORCA-job orca E -7352.685097810016
  N      -3.185758     -4.084337      1.750298
  C      -3.680372     -4.937519      0.675770
  C      -3.815830     -6.375253      1.184116
  N      -3.055642     -6.507373      2.459652
  C      -3.424431     -7.781283      3.164799
  C      -4.141124     -7.459095      4.476499
  N      -4.752449     -6.155674      4.301656
  Mo     -3.517171     -4.657805      3.705459
  N      -1.723099     -5.355943      4.350425
  C      -0.861197     -6.177131      3.500334
  C      -1.589091     -6.442128      2.194322
  H      -0.623953     -7.116347      4.030146
  H       0.095676     -5.670654      3.292731
  H      -1.251828     -7.379913      1.724157
  H      -1.413777     -5.621165      1.492467
  H      -4.887569     -8.234216      4.700728
  H      -3.427583     -7.424986      5.315634
  H      -4.080676     -8.356453      2.499427
  H      -2.521068     -8.378645      3.340723
  H      -2.990367     -4.903926     -0.180025
  H      -4.655185     -4.553501      0.335077
  H      -3.390094     -7.087857      0.458236
  H      -4.860061     -6.626352      1.383368
  C      -2.597732     -2.908505      1.416972
  C      -2.313084     -2.451066      0.103021
  C      -1.772044     -1.195490     -0.083552
  C      -1.530537     -0.328285      1.009276
  C      -1.782451     -0.753583      2.294471
  C      -2.264952     -2.064304      2.520252
  N      -2.552229     -2.586862      3.755296
  C      -2.003722     -2.082393      4.861721
  C      -0.689142     -1.521249      5.059620
  O      -0.322964     -0.848497      5.991706
  Cl      0.593184     -2.144979      3.871180
  C      -6.001106     -5.867246      4.747508
  C      -6.880496     -6.715236      5.457493
  C      -8.147692     -6.258555      5.782616
  C      -8.570854     -4.966308      5.409182
  C      -7.716784     -4.111032      4.730361
  C      -6.414618     -4.542223      4.411236
  N      -5.470619     -3.819280      3.709327
  C      -5.716054     -2.473869      3.508457
  C      -5.540593     -1.864027      2.257385
  O      -5.325579     -2.322568      1.149390
  Cl     -5.772041     -0.010881      2.409577
  C      -1.308793     -5.127592      5.630478
  C      -0.026768     -5.424443      6.147270
  C       0.283953     -5.072670      7.449424
  C      -0.665246     -4.413101      8.260033
  C      -1.933329     -4.138452      7.783413
  C      -2.291532     -4.525351      6.472831
  N      -3.514386     -4.298187      5.880983
  C      -4.609300     -3.987840      6.624476
  C      -4.948623     -4.647047      7.844990
  O      -4.438601     -5.586798      8.416335
  Cl     -6.490626     -3.892679      8.551374
  H      -2.564787     -3.060762     -0.762104
  H      -1.576313     -0.845006     -1.098280
  H      -1.180043      0.688102      0.829245
  H      -1.650013     -0.080351      3.141009
  H      -2.559522     -2.181385      5.791614
  H      -6.562146     -7.710172      5.767052
  H      -8.825254     -6.907535      6.338926
  H      -9.579391     -4.635690      5.659968
  H      -8.044904     -3.118019      4.423135
  H      -6.158266     -1.891818      4.318237
  H       0.726753     -5.888590      5.512432
  H       1.282179     -5.274112      7.839953
  H      -0.390737     -4.099969      9.267942
  H      -2.653801     -3.605140      8.401462
  H      -5.347121     -3.315760      6.199676
  N      -7.089238     -5.682824      1.445136
  N      -8.114967     -5.555214      1.058150
73
Coordinates from ORCA-job orca E -7352.685491277892
  N      -3.184726     -4.084665      1.750291
  C      -3.689108     -4.937110      0.680300
  C      -3.822719     -6.374288      1.191430
  N      -3.053299     -6.507359      2.460486
  C      -3.415811     -7.781362      3.167956
  C      -4.142161     -7.460801      4.475023
  N      -4.754294     -6.158255      4.298393
  Mo     -3.519517     -4.657526      3.704340
  N      -1.722355     -5.349183      4.345502
  C      -0.856303     -6.161973      3.491577
  C      -1.588307     -6.438559      2.189236
  H      -0.605008     -7.097245      4.021646
  H       0.093219     -5.644224      3.278089
  H      -1.249587     -7.378787      1.725083
  H      -1.417787     -5.623047      1.479990
  H      -4.889253     -8.236805      4.693905
  H      -3.433761     -7.427279      5.318631
  H      -4.062725     -8.365177      2.500806
  H      -2.508162     -8.369810      3.351347
  H      -3.006882     -4.906036     -0.181721
  H      -4.666245     -4.551744      0.347690
  H      -3.408969     -7.091030      0.462620
  H      -4.865974     -6.623740      1.402233
  C      -2.587666     -2.914277      1.416059
  C      -2.293364     -2.462744      0.102208
  C      -1.743884     -1.211040     -0.085177
  C      -1.503460     -0.341985      1.006479
  C      -1.764106     -0.761947      2.291646
  C      -2.254873     -2.069338      2.519093
  N      -2.552593     -2.585956      3.753759
  C      -2.010008     -2.079555      4.862466
  C      -0.695116     -1.523846      5.068855
  O      -0.331440     -0.856435      6.005925
  Cl      0.592895     -2.149476      3.886986
  C      -6.004104     -5.870595      4.742996
  C      -6.882424     -6.720790      5.451291
  C      -8.151132     -6.267310      5.776254
  C      -8.576332     -4.975907      5.404367
  C      -7.722624     -4.118150      4.727539
  C      -6.419639     -4.545980      4.408957
  N      -5.476513     -3.818069      3.708008
  C      -5.724408     -2.473943      3.517322
  C      -5.533669     -1.848828      2.274480
  O      -5.305386     -2.295162      1.164780
  Cl     -5.757172      0.002562      2.447496
  C      -1.307412     -5.118456      5.624710
  C      -0.022891     -5.407708      6.139484
  C       0.287540     -5.054506      7.441233
  C      -0.664390     -4.400918      8.253510
  C      -1.934592     -4.133245      7.778858
  C      -2.292349     -4.521141      6.468452
  N      -3.516790     -4.300399      5.878527
  C      -4.612533     -3.994350      6.622735
  C      -4.948386     -4.655690      7.842656
  O      -4.433267     -5.592371      8.414117
  Cl     -6.493640     -3.908096      8.550380
  H      -2.543121     -3.073867     -0.762500
  H      -1.540116     -0.865035     -1.099835
  H      -1.146281      0.671879      0.825444
  H      -1.631919     -0.086911      3.136731
  H      -2.574022     -2.172574      5.788109
  H      -6.562404     -7.715475      5.759794
  H      -8.827725     -6.918670      6.330931
  H      -9.585806     -4.647376      5.653984
  H      -8.053643     -3.125961      4.420977
  H      -6.182082     -1.901670      4.325544
  H       0.732739     -5.866622      5.503403
  H       1.287567     -5.250001      7.830098
  H      -0.390275     -4.086540      9.261114
  H      -2.657152     -3.604257      8.398159
  H      -5.352917     -3.324814      6.198331
  N      -7.155858     -5.681116      1.451109
  N      -8.187101     -5.551733      1.080963
73
Coordinates from ORCA-job orca E -7352.685813692216
  N      -3.183871     -4.085515      1.751077
  C      -3.696584     -4.937775      0.685323
  C      -3.829523     -6.373872      1.200325
  N      -3.050498     -6.507990      2.462258
  C      -3.406903     -7.781722      3.172433
  C      -4.143890     -7.462502      4.474244
  N      -4.756251     -6.160635      4.295154
  Mo     -3.521411     -4.657508      3.704115
  N      -1.721091     -5.343322      4.341429
  C      -0.851051     -6.147549      3.483469
  C      -1.587157     -6.435802      2.185002
  H      -0.585547     -7.078713      4.013594
  H       0.090857     -5.618516      3.263937
  H      -1.247015     -7.378520      1.726992
  H      -1.421276     -5.625996      1.468283
  H      -4.891948     -8.239260      4.687061
  H      -3.441538     -7.429765      5.323035
  H      -4.043913     -8.374441      2.503408
  H      -2.495137     -8.360980      3.364132
  H      -3.020796     -4.909911     -0.181856
  H      -4.675319     -4.551079      0.358833
  H      -3.430114     -7.095806      0.468415
  H      -4.872044     -6.620433      1.422948
  C      -2.579265     -2.919834      1.415873
  C      -2.277454     -2.473399      0.101997
  C      -1.721532     -1.224755     -0.086371
  C      -1.482163     -0.353855      1.004113
  C      -1.749319     -0.769314      2.289365
  C      -2.245991     -2.074244      2.518619
  N      -2.551636     -2.586028      3.752998
  C      -2.013777     -2.078427      4.863920
  C      -0.697777     -1.530148      5.078888
  O      -0.336410     -0.865505      6.019049
  Cl      0.594924     -2.154708      3.900749
  C      -6.007568     -5.873658      4.737330
  C      -6.885837     -6.726099      5.442700
  C      -8.156446     -6.275819      5.765784
  C      -8.583110     -4.985157      5.394934
  C      -7.728804     -4.124900      4.721375
  C      -6.424555     -4.549415      4.405116
  N      -5.480898     -3.816334      3.707284
  C      -5.730464     -2.473343      3.525385
  C      -5.519252     -1.833270      2.292043
  O      -5.277708     -2.267971      1.181080
  Cl     -5.747871      0.014949      2.482495
  C      -1.305227     -5.110238      5.619631
  C      -0.018121     -5.392050      6.132135
  C       0.292594     -5.036866      7.433155
  C      -0.661489     -4.388382      8.247111
  C      -1.933867     -4.127634      7.774785
  C      -2.291909     -4.517364      6.464956
  N      -3.518113     -4.302972      5.877263
  C      -4.614401     -4.000518      6.622283
  C      -4.947279     -4.663399      7.841922
  O      -4.428803     -5.598360      8.412921
  Cl     -6.496118     -3.922349      8.549731
  H      -2.525491     -3.086034     -0.762186
  H      -1.511486     -0.882572     -1.101042
  H      -1.120089      0.658079      0.821991
  H      -1.617545     -0.092574      3.133092
  H      -2.585654     -2.165127      5.785429
  H      -6.564686     -7.720655      5.750372
  H      -8.832821     -6.929603      6.317869
  H      -9.593796     -4.658570      5.642113
  H      -8.062276     -3.133416      4.415352
  H      -6.205234     -1.909984      4.330093
  H       0.739267     -5.846086      5.494672
  H       1.294507     -5.226418      7.820080
  H      -0.387172     -4.072095      9.254055
  H      -2.658007     -3.602190      8.395214
  H      -5.357102     -3.333400      6.198153
  N      -7.221962     -5.677170      1.458856
  N      -8.258365     -5.545607      1.105308
73
Coordinates from ORCA-job orca E -7352.686072658283
  N      -3.183664     -4.086316      1.751463
  C      -3.702614     -4.939056      0.689561
  C      -3.836078     -6.373410      1.209512
  N      -3.047234     -6.508235      2.463849
  C      -3.397053     -7.781611      3.176887
  C      -4.145898     -7.464028      4.472653
  N      -4.758646     -6.162986      4.290672
  Mo     -3.523910     -4.657083      3.703610
  N      -1.719932     -5.336853      4.337297
  C      -0.845711     -6.131969      3.475175
  C      -1.585685     -6.432047      2.180620
  H      -0.565730     -7.058843      4.005101
  H       0.088210     -5.591396      3.249660
  H      -1.243655     -7.376997      1.728669
  H      -1.424741     -5.627896      1.456569
  H      -4.894801     -8.241806      4.678650
  H      -3.450498     -7.431951      5.327273
  H      -4.023076     -8.383861      2.505802
  H      -2.480974     -8.350683      3.377840
  H      -3.031265     -4.915157     -0.181174
  H      -4.682159     -4.551346      0.366527
  H      -3.452611     -7.101139      0.474569
  H      -4.877605     -6.615910      1.443930
  C      -2.571066     -2.925628      1.415391
  C      -2.261225     -2.484681      0.101565
  C      -1.698389     -1.239350     -0.087757
  C      -1.459919     -0.366597      1.001527
  C      -1.733974     -0.777259      2.286835
  C      -2.237423     -2.079342      2.517802
  N      -2.551470     -2.585968      3.751741
  C      -2.018178     -2.076589      4.864556
  C      -0.701413     -1.535062      5.087010
  O      -0.341113     -0.876434      6.032038
  Cl      0.595273     -2.159703      3.912504
  C      -6.011142     -5.876745      4.731232
  C      -6.889032     -6.731490      5.434028
  C      -8.161107     -6.284196      5.756448
  C      -8.589158     -4.993952      5.387547
  C      -7.734612     -4.131173      4.716901
  C      -6.429494     -4.552638      4.401672
  N      -5.485718     -3.814581      3.706362
  C      -5.737525     -2.472812      3.533181
  C      -5.511004     -1.818591      2.308622
  O      -5.257975     -2.241771      1.196314
  Cl     -5.732575      0.027569      2.518870
  C      -1.303493     -5.101674      5.614544
  C      -0.013892     -5.375985      6.125027
  C       0.296671     -5.019438      7.425561
  C      -0.659900     -4.376762      8.241358
  C      -1.934315     -4.122984      7.771139
  C      -2.292124     -4.513794      6.461541
  N      -3.519913     -4.305536      5.875976
  C      -4.616867     -4.007492      6.621780
  C      -4.945903     -4.671660      7.841520
  O      -4.422484     -5.603513      8.412842
  Cl     -6.498383     -3.937876      8.549777
  H      -2.507526     -3.098957     -0.761992
  H      -1.481695     -0.901203     -1.102366
  H      -1.092434      0.643176      0.818294
  H      -1.602254     -0.098958      3.129276
  H      -2.597263     -2.156996      5.782199
  H      -6.566769     -7.726102      5.740234
  H      -8.836948     -6.940437      6.306245
  H      -9.600717     -4.669067      5.633265
  H      -8.070610     -3.140222      4.412129
  H      -6.226490     -1.917827      4.335239
  H       0.745431     -5.824700      5.486146
  H       1.300340     -5.203065      7.810735
  H      -0.385709     -4.059077      9.247873
  H      -2.660388     -3.601673      8.392779
  H      -5.362647     -3.343756      6.197783
  N      -7.287257     -5.671532      1.466485
  N      -8.328472     -5.537716      1.129154
73
Coordinates from ORCA-job orca E -7352.686279583435
  N      -3.183646     -4.087471      1.752325
  C      -3.706313     -4.941538      0.693596
  C      -3.841962     -6.373438      1.219796
  N      -3.043205     -6.508888      2.466195
  C      -3.386578     -7.781626      3.182364
  C      -4.149043     -7.465658      4.470955
  N      -4.761413     -6.165111      4.285568
  Mo     -3.525978     -4.656937      3.703721
  N      -1.718246     -5.331192      4.334113
  C      -0.839913     -6.117148      3.467867
  C      -1.583468     -6.428797      2.177186
  H      -0.545794     -7.039708      3.997403
  H       0.085994     -5.565319      3.236573
  H      -1.239489     -7.375865      1.731175
  H      -1.427239     -5.630270      1.446043
  H      -4.899263     -8.244293      4.668801
  H      -3.462056     -7.434709      5.332488
  H      -4.000252     -8.394027      2.508828
  H      -2.466254     -8.339647      3.394100
  H      -3.036901     -4.922508     -0.178812
  H      -4.685685     -4.553071      0.370732
  H      -3.476229     -7.107837      0.482105
  H      -4.882620     -6.610344      1.466093
  C      -2.564719     -2.930876      1.415467
  C      -2.249070     -2.494378      0.101574
  C      -1.681227     -1.251520     -0.088721
  C      -1.443424     -0.377176      0.999522
  C      -1.722195     -0.784065      2.284989
  C      -2.230379     -2.084101      2.517590
  N      -2.550277     -2.586893      3.751181
  C      -2.020057     -2.076435      4.865616
  C      -0.701980     -1.542678      5.094577
  O      -0.341826     -0.888928      6.043312
  Cl      0.597187     -2.165385      3.920836
  C      -6.014998     -5.879134      4.724438
  C      -6.893269     -6.735858      5.424159
  C      -8.166562     -6.290797      5.745674
  C      -8.595060     -5.000500      5.378965
  C      -7.739609     -4.135577      4.711680
  C      -6.433791     -4.554808      4.397729
  N      -5.489054     -3.812446      3.705739
  C      -5.742183     -2.471718      3.539156
  C      -5.499375     -1.805675      2.322905
  O      -5.236772     -2.219523      1.209761
  Cl     -5.719953      0.038141      2.548364
  C      -1.301270     -5.093853      5.610354
  C      -0.009198     -5.360704      6.118907
  C       0.301312     -5.002457      7.418809
  C      -0.657554     -4.365114      8.236318
  C      -1.933966     -4.118357      7.768215
  C      -2.291728     -4.510759      6.459022
  N      -3.521185     -4.308771      5.875560
  C      -4.619088     -4.015812      6.621958
  C      -4.944714     -4.681766      7.841513
  O      -4.416612     -5.610809      8.412948
  Cl     -6.501372     -3.956045      8.549538
  H      -2.494063     -3.110199     -0.761311
  H      -1.459720     -0.916521     -1.103330
  H      -1.072147      0.631020      0.815226
  H      -1.590437     -0.104509      3.126373
  H      -2.605161     -2.150989      5.780002
  H      -6.570671     -7.730870      5.728632
  H      -8.842439     -6.949213      6.292818
  H      -9.607311     -4.676664      5.623139
  H      -8.077362     -3.144785      4.408484
  H      -6.244306     -1.923158      4.337545
  H       0.751941     -5.804298      5.478642
  H       1.306715     -5.180114      7.802242
  H      -0.383301     -4.045619      9.242231
  H      -2.661786     -3.600737      8.390856
  H      -5.368324     -3.356065      6.197853
  N      -7.351034     -5.663009      1.474540
  N      -8.396652     -5.526490      1.152843
73
Coordinates from ORCA-job orca E -7352.686447401129
  N      -3.184261     -4.088781      1.753188
  C      -3.707581     -4.945263      0.696943
  C      -3.847200     -6.373748      1.230910
  N      -3.038391     -6.509334      2.469082
  C      -3.374815     -7.781236      3.188758
  C      -4.153112     -7.467226      4.468759
  N      -4.764626     -6.166984      4.279537
  Mo     -3.528103     -4.656590      3.704130
  N      -1.716213     -5.325561      4.331546
  C      -0.833737     -6.102051      3.461157
  C      -1.580581     -6.424922      2.174303
  H      -0.525750     -7.020344      3.989984
  H       0.084091     -5.539134      3.224386
  H      -1.234352     -7.373780      1.733855
  H      -1.429223     -5.631715      1.436502
  H      -4.904993     -8.246722      4.656748
  H      -3.476335     -7.437853      5.338480
  H      -3.974078     -8.404959      2.512385
  H      -2.450028     -8.326534      3.413178
  H      -3.036928     -4.932239     -0.174716
  H      -4.685638     -4.556523      0.370196
  H      -3.500701     -7.115580      0.491007
  H      -4.886944     -6.603485      1.489204
  C      -2.559838     -2.935837      1.415560
  C      -2.239533     -2.503340      0.101516
  C      -1.667355     -1.262665     -0.089784
  C      -1.429643     -0.387001      0.997517
  C      -1.712088     -0.790535      2.283220
  C      -2.224630     -2.088648      2.517349
  N      -2.549226     -2.588100      3.750637
  C      -2.021204     -2.076275      4.866165
  C      -0.701908     -1.549585      5.099815
  O      -0.340471     -0.902469      6.052864
  Cl      0.598359     -2.170876      3.925586
  C      -6.019172     -5.881179      4.716907
  C      -6.898185     -6.739842      5.413163
  C      -8.172423     -6.296543      5.734014
  C      -8.600767     -5.005736      5.370167
  C      -7.744158     -4.138772      4.706548
  C      -6.437868     -4.556332      4.393529
  N      -5.491819     -3.810163      3.705292
  C      -5.746025     -2.470305      3.544248
  C      -5.491619     -1.794823      2.334565
  O      -5.222529     -2.201164      1.220593
  Cl     -5.705303      0.047501      2.573919
  C      -1.298916     -5.086576      5.606837
  C      -0.004499     -5.346278      6.113633
  C       0.305694     -4.987093      7.413152
  C      -0.655574     -4.355526      8.232581
  C      -1.933802     -4.115464      7.766414
  C      -2.291189     -4.508673      6.457322
  N      -3.522077     -4.312192      5.875817
  C      -4.620688     -4.024402      6.623038
  C      -4.942377     -4.691823      7.842767
  O      -4.409552     -5.618166      8.414070
  Cl     -6.502795     -3.974067      8.551001
  H      -2.483809     -3.120578     -0.760611
  H      -1.442021     -0.930361     -1.104425
  H      -1.055016      0.619762      0.812161
  H      -1.579759     -0.110054      3.123746
  H      -2.610986     -2.145461      5.778019
  H      -6.575721     -7.735555      5.715389
  H      -8.848599     -6.957034      6.278263
  H      -9.613479     -4.682532      5.613178
  H      -8.083142     -3.147774      4.405544
  H      -6.258020     -1.926700      4.339767
  H       0.758472     -5.784509      5.471891
  H       1.312681     -5.159085      7.794987
  H      -0.381444     -4.034836      9.238126
  H      -2.663545     -3.601910      8.390164
  H      -5.373529     -3.368673      6.199180
  N      -7.412713     -5.651530      1.482761
  N      -8.462271     -5.512057      1.175968
73
Coordinates from ORCA-job orca E -7352.686700922687
  N      -3.184745     -4.091869      1.753544
  C      -3.702306     -4.952550      0.698796
  C      -3.853670     -6.372736      1.248226
  N      -3.029964     -6.510550      2.473494
  C      -3.358858     -7.781203      3.197188
  C      -4.161334     -7.470518      4.463574
  N      -4.770460     -6.169968      4.269054
  Mo     -3.530619     -4.657519      3.704820
  N      -1.712882     -5.321265      4.330136
  C      -0.825204     -6.086737      3.455337
  C      -1.574638     -6.421231      2.172116
  H      -0.502375     -7.000533      3.982903
  H       0.083756     -5.511687      3.213419
  H      -1.225731     -7.371631      1.737051
  H      -1.428522     -5.633196      1.427914
  H      -4.916205     -8.250898      4.635548
  H      -3.500881     -7.444425      5.345974
  H      -3.936855     -8.419762      2.515788
  H      -2.429030     -8.309060      3.440766
  H      -3.024110     -4.951235     -0.167343
  H      -4.675897     -4.563130      0.359423
  H      -3.541648     -7.128710      0.506747
  H      -4.891671     -6.583645      1.527603
  C      -2.557531     -2.941171      1.415236
  C      -2.235629     -2.511166      0.100807
  C      -1.662588     -1.271035     -0.091481
  C      -1.425598     -0.394223      0.995200
  C      -1.708992     -0.795904      2.281277
  C      -2.222379     -2.093553      2.516684
  N      -2.548022     -2.592112      3.749616
  C      -2.020423     -2.079153      4.865831
  C      -0.699327     -1.560584      5.102556
  O      -0.335177     -0.918524      6.058338
  Cl      0.599979     -2.175808      3.922453
  C      -6.025831     -5.883478      4.705033
  C      -6.907128     -6.743859      5.396183
  C      -8.181622     -6.300709      5.716899
  C      -8.607597     -5.007958      5.358019
  C      -7.748395     -4.139313      4.699491
  C      -6.442270     -4.556982      4.387041
  N      -5.493230     -3.808137      3.704277
  C      -5.746846     -2.468800      3.545127
  C      -5.482063     -1.788891      2.339277
  O      -5.210463     -2.192493      1.225196
  Cl     -5.691826      0.052826      2.584695
  C      -1.295860     -5.080265      5.604386
  C       0.001110     -5.331780      6.109771
  C       0.310559     -4.971289      7.408834
  C      -0.653604     -4.346015      8.230115
  C      -1.933728     -4.113727      7.765735
  C      -2.290404     -4.508292      6.456773
  N      -3.522915     -4.318128      5.877118
  C      -4.623054     -4.037760      6.624734
  C      -4.941098     -4.708137      7.843910
  O      -4.402407     -5.631085      8.415225
  Cl     -6.506384     -4.000568      8.551770
  H      -2.479506     -3.129881     -0.760469
  H      -1.436046     -0.939933     -1.106268
  H      -1.050467      0.612212      0.808877
  H      -1.576649     -0.114869      3.121353
  H      -2.613190     -2.143759      5.776130
  H      -6.586533     -7.741352      5.694513
  H      -8.859258     -6.963082      6.257070
  H      -9.620224     -4.683963      5.600391
  H      -8.086925     -3.146980      4.402400
  H      -6.265667     -1.926360      4.337067
  H       0.766275     -5.764018      5.466569
  H       1.319241     -5.136705      7.789178
  H      -0.379757     -4.023599      9.235192
  H      -2.665756     -3.604486      8.390340
  H      -5.380856     -3.387971      6.200584
  N      -7.450357     -5.617339      1.518038
  N      -8.505316     -5.468188      1.234483
73
Coordinates from ORCA-job orca E -7352.686909584902
  N      -3.185768     -4.095880      1.750459
  C      -3.684307     -4.964648      0.693467
  C      -3.854933     -6.373113      1.261319
  N      -3.019623     -6.512507      2.476264
  C      -3.342857     -7.781690      3.202986
  C      -4.173283     -7.475268      4.452837
  N      -4.777993     -6.173012      4.254297
  Mo     -3.533690     -4.659159      3.703604
  N      -1.709683     -5.318735      4.330144
  C      -0.816974     -6.076147      3.453833
  C      -1.566060     -6.418881      2.172136
  H      -0.484511     -6.986726      3.980921
  H       0.086047     -5.492718      3.209675
  H      -1.214145     -7.369891      1.740817
  H      -1.422867     -5.633941      1.424305
  H      -4.932367     -8.255831      4.604831
  H      -3.532549     -7.454840      5.349932
  H      -3.896020     -8.435426      2.514955
  H      -2.408967     -8.290655      3.469166
  H      -2.986451     -4.978203     -0.157161
  H      -4.648497     -4.576546      0.326394
  H      -3.579094     -7.145257      0.521574
  H      -4.892739     -6.559257      1.560755
  C      -2.559651     -2.944831      1.412409
  C      -2.238124     -2.515430      0.097719
  C      -1.668109     -1.273923     -0.094833
  C      -1.433359     -0.396255      0.991860
  C      -1.715677     -0.797973      2.278168
  C      -2.226409     -2.096693      2.513725
  N      -2.549616     -2.597249      3.746162
  C      -2.022147     -2.081912      4.862356
  C      -0.700292     -1.567292      5.099307
  O      -0.331757     -0.938124      6.062194
  Cl      0.599486     -2.192839      3.923654
  C      -6.031937     -5.884119      4.694048
  C      -6.915265     -6.744712      5.382299
  C      -8.186601     -6.297473      5.710118
  C      -8.606985     -4.999987      5.361741
  C      -7.745740     -4.131429      4.705646
  C      -6.443276     -4.554027      4.385265
  N      -5.492896     -3.806892      3.702861
  C      -5.743677     -2.466689      3.543454
  C      -5.487486     -1.790205      2.333746
  O      -5.226317     -2.197184      1.218416
  Cl     -5.682161      0.053420      2.578756
  C      -1.294160     -5.075534      5.603539
  C       0.004573     -5.319825      6.109223
  C       0.311730     -4.958882      7.408445
  C      -0.656141     -4.340099      8.230736
  C      -1.937391     -4.114776      7.766435
  C      -2.291499     -4.509609      6.456829
  N      -3.524791     -4.325022      5.877511
  C      -4.626930     -4.053534      6.625085
  C      -4.940670     -4.726959      7.843985
  O      -4.396080     -5.647075      8.414364
  Cl     -6.513207     -4.033678      8.549293
  H      -2.481348     -3.135435     -0.762896
  H      -1.442539     -0.942189     -1.109645
  H      -1.060564      0.611000      0.805100
  H      -1.584245     -0.117035      3.118513
  H      -2.615253     -2.144906      5.772537
  H      -6.598734     -7.745727      5.673133
  H      -8.865575     -6.960194      6.248200
  H      -9.616918     -4.672007      5.609986
  H      -8.081020     -3.135698      4.416211
  H      -6.255093     -1.920715      4.337804
  H       0.772281     -5.746698      5.465456
  H       1.321389     -5.118683      7.788692
  H      -0.383871     -4.016999      9.236026
  H      -2.672606     -3.610384      8.391304
  H      -5.390485     -3.410712      6.200705
  N      -7.456361     -5.571724      1.551691
  N      -8.514744     -5.409151      1.288811
73
Coordinates from ORCA-job orca E -7352.686907795368
  N      -3.188855     -4.101332      1.748752
  C      -3.659134     -4.980006      0.686439
  C      -3.852154     -6.376646      1.269527
  N      -3.011281     -6.517102      2.479967
  C      -3.331885     -7.784986      3.208211
  C      -4.189977     -7.483220      4.440976
  N      -4.786959     -6.177163      4.241196
  Mo     -3.536261     -4.663790      3.704942
  N      -1.707278     -5.322661      4.335201
  C      -0.811477     -6.076401      3.459641
  C      -1.558276     -6.421158      2.177169
  H      -0.476551     -6.986284      3.986465
  H       0.089958     -5.490137      3.216426
  H      -1.204312     -7.371802      1.746735
  H      -1.414661     -5.636390      1.429440
  H      -4.955116     -8.262101      4.570319
  H      -3.570178     -7.472025      5.352952
  H      -3.860350     -8.451742      2.512962
  H      -2.395860     -8.276923      3.497115
  H      -2.933442     -5.007315     -0.140647
  H      -4.610104     -4.595652      0.282284
  H      -3.604504     -7.162032      0.533425
  H      -4.891147     -6.538454      1.581991
  C      -2.570622     -2.945762      1.411959
  C      -2.255139     -2.512640      0.097062
  C      -1.691620     -1.267909     -0.094442
  C      -1.456085     -0.392046      0.993706
  C      -1.732597     -0.797505      2.280144
  C      -2.238938     -2.098261      2.513799
  N      -2.552692     -2.605357      3.745804
  C      -2.020151     -2.088583      4.859406
  C      -0.700943     -1.562607      5.083031
  O      -0.327077     -0.922736      6.036850
  Cl      0.580304     -2.120218      3.852804
  C      -6.039173     -5.884401      4.684554
  C      -6.927111     -6.744195      5.367832
  C      -8.194591     -6.290433      5.701410
  C      -8.606296     -4.986938      5.364299
  C      -7.740932     -4.119474      4.712470
  C      -6.442682     -4.549601      4.384940
  N      -5.488520     -3.806948      3.705006
  C      -5.730852     -2.464420      3.540794
  C      -5.476986     -1.798856      2.325299
  O      -5.215030     -2.215318      1.213373
  Cl     -5.656978      0.048537      2.557832
  C      -1.293464     -5.079145      5.608090
  C       0.005912     -5.320117      6.114968
  C       0.310959     -4.959533      7.414545
  C      -0.659384     -4.344465      8.237104
  C      -1.940832     -4.122740      7.771940
  C      -2.292408     -4.517208      6.461570
  N      -3.525621     -4.335173      5.881682
  C      -4.628034     -4.068959      6.630266
  C      -4.937674     -4.743441      7.850054
  O      -4.387850     -5.660434      8.420542
  Cl     -6.504908     -4.048017      8.563603
  H      -2.499414     -3.132316     -0.763535
  H      -1.471415     -0.932341     -1.109171
  H      -1.087480      0.616920      0.807811
  H      -1.599849     -0.118808      3.122195
  H      -2.603801     -2.158716      5.775101
  H      -6.617294     -7.749721      5.650240
  H      -8.877130     -6.952405      6.235866
  H      -9.612982     -4.653400      5.618286
  H      -8.069700     -3.119144      4.431454
  H      -6.230577     -1.909572      4.336449
  H       0.775275     -5.743868      5.471136
  H       1.320855     -5.116524      7.795382
  H      -0.388545     -4.021441      9.242795
  H      -2.678379     -3.621342      8.396542
  H      -5.394666     -3.428578      6.208154
  N      -7.441700     -5.528832      1.570428
  N      -8.500960     -5.352086      1.320736
73
Coordinates from ORCA-job orca E -7352.687115144572
  N      -3.188406     -4.103161      1.747444
  C      -3.647547     -4.984699      0.682102
  C      -3.847684     -6.379712      1.264938
  N      -3.010906     -6.519223      2.479965
  C      -3.332785     -7.786691      3.208112
  C      -4.196503     -7.485564      4.437097
  N      -4.788386     -6.176746      4.239395
  Mo     -3.534757     -4.665370      3.705065
  N      -1.706117     -5.326194      4.337615
  C      -0.811412     -6.082769      3.463716
  C      -1.557031     -6.424538      2.180004
  H      -0.480331     -6.993788      3.991115
  H       0.092495     -5.499729      3.221859
  H      -1.203467     -7.374797      1.748391
  H      -1.410964     -5.638351      1.434302
  H      -4.965418     -8.261887      4.559508
  H      -3.581702     -7.479796      5.352542
  H      -3.856190     -8.455487      2.511072
  H      -2.397070     -8.276263      3.502088
  H      -2.909884     -5.014150     -0.134393
  H      -4.592890     -4.601806      0.263607
  H      -3.596867     -7.165761      0.530903
  H      -4.888460     -6.537663      1.573561
  C      -2.575569     -2.944520      1.411265
  C      -2.265337     -2.508650      0.095997
  C      -1.710732     -1.259994     -0.095701
  C      -1.479842     -0.382954      0.992470
  C      -1.750703     -0.791248      2.279162
  C      -2.245344     -2.096447      2.513068
  N      -2.552230     -2.607650      3.745491
  C      -2.021809     -2.090274      4.859998
  C      -0.701365     -1.569081      5.089869
  O      -0.331810     -0.928982      6.045112
  Cl      0.594125     -2.175435      3.898104
  C      -6.039276     -5.881386      4.685057
  C      -6.929222     -6.739694      5.367522
  C      -8.194961     -6.282409      5.702675
  C      -8.603012     -4.977086      5.367784
  C      -7.735983     -4.111179      4.716371
  C      -6.439281     -4.544979      4.387072
  N      -5.483483     -3.805750      3.707114
  C      -5.720506     -2.461766      3.539949
  C      -5.473804     -1.804275      2.319280
  O      -5.226136     -2.228076      1.206678
  Cl     -5.669789      0.043605      2.537511
  C      -1.291130     -5.080773      5.609562
  C       0.008809     -5.320521      6.115740
  C       0.314906     -4.957205      7.414323
  C      -0.654822     -4.340587      8.236391
  C      -1.936733     -4.120138      7.771804
  C      -2.289306     -4.517884      6.462724
  N      -3.522912     -4.337388      5.882981
  C      -4.624113     -4.070256      6.633053
  C      -4.933257     -4.744938      7.852998
  O      -4.385615     -5.664851      8.420854
  Cl     -6.495309     -4.043948      8.571703
  H      -2.508824     -3.128880     -0.764405
  H      -1.495706     -0.921812     -1.110666
  H      -1.119628      0.628978      0.806356
  H      -1.622410     -0.111728      3.121137
  H      -2.608266     -2.159328      5.773896
  H      -6.622495     -7.746778      5.647710
  H      -8.879304     -6.942980      6.236519
  H      -9.608351     -4.641025      5.623769
  H      -8.061287     -3.109240      4.437110
  H      -6.211382     -1.901991      4.337661
  H       0.777631     -5.745513      5.472083
  H       1.325163     -5.113151      7.794607
  H      -0.383173     -4.015332      9.241131
  H      -2.673725     -3.617305      8.395826
  H      -5.389843     -3.427300      6.213479
  N      -7.429239     -5.524196      1.553571
  N      -8.486906     -5.343952      1.299876
73
Coordinates from ORCA-job orca E -7352.687137521466
  N      -3.187727     -4.102725      1.746399
  C      -3.642211     -4.983401      0.678406
  C      -3.844858     -6.380248      1.256120
  N      -3.014427     -6.518404      2.477763
  C      -3.337564     -7.786355      3.204574
  C      -4.201183     -7.486523      4.433636
  N      -4.788593     -6.175075      4.240748
  Mo     -3.534025     -4.665163      3.704636
  N      -1.707313     -5.327978      4.338576
  C      -0.814592     -6.088440      3.465946
  C      -1.559257     -6.425291      2.180618
  H      -0.488637     -7.001214      3.993600
  H       0.092627     -5.509790      3.225792
  H      -1.206459     -7.374749      1.746543
  H      -1.410442     -5.636641      1.438123
  H      -4.973753     -8.259837      4.552046
  H      -3.586995     -7.486812      5.349517
  H      -3.860603     -8.454486      2.506777
  H      -2.402210     -8.276849      3.498477
  H      -2.897342     -5.011709     -0.131749
  H      -4.583996     -4.599893      0.252942
  H      -3.581049     -7.163184      0.523893
  H      -4.887196     -6.540026      1.556434
  C      -2.572619     -2.944852      1.411622
  C      -2.258179     -2.510057      0.096927
  C      -1.700407     -1.262735     -0.093867
  C      -1.469992     -0.385749      0.994429
  C      -1.745260     -0.792726      2.280590
  C      -2.243713     -2.096513      2.513667
  N      -2.553909     -2.606614      3.745786
  C      -2.025845     -2.087954      4.860297
  C      -0.708209     -1.558549      5.088352
  O      -0.339192     -0.923999      6.047283
  Cl      0.587989     -2.167401      3.899581
  C      -6.036922     -5.878010      4.692361
  C      -6.925476     -6.734799      5.378412
  C      -8.188884     -6.274897      5.718846
  C      -8.596129     -4.969063      5.384965
  C      -7.730477     -4.104789      4.729681
  C      -6.435572     -4.540948      4.396095
  N      -5.481891     -3.804783      3.711286
  C      -5.718459     -2.459929      3.544736
  C      -5.506395     -1.809697      2.314317
  O      -5.292854     -2.239406      1.196859
  Cl     -5.699916      0.039381      2.527168
  C      -1.291116     -5.081102      5.610159
  C       0.008922     -5.320550      6.115878
  C       0.315869     -4.954679      7.413666
  C      -0.653121     -4.336035      8.234895
  C      -1.935315     -4.115937      7.770647
  C      -2.288748     -4.516444      6.462662
  N      -3.522902     -4.338032      5.882761
  C      -4.624306     -4.072739      6.633666
  C      -4.934339     -4.752205      7.850661
  O      -4.392637     -5.680879      8.409817
  Cl     -6.507660     -4.067378      8.560159
  H      -2.501111     -3.130088     -0.763740
  H      -1.482197     -0.925439     -1.108453
  H      -1.106919      0.625220      0.808710
  H      -1.617458     -0.112988      3.122483
  H      -2.610974     -2.161065      5.774767
  H      -6.619562     -7.742491      5.657274
  H      -8.872530     -6.933943      6.255458
  H      -9.599923     -4.631581      5.645167
  H      -8.054175     -3.102074      4.451209
  H      -6.192197     -1.898213      4.351330
  H       0.777195     -5.747358      5.472763
  H       1.326274     -5.110234      7.793694
  H      -0.380867     -4.008919      9.238871
  H      -2.671548     -3.611394      8.394132
  H      -5.390385     -3.428843      6.215770
  N      -7.419068     -5.529593      1.526004
  N      -8.474666     -5.348532      1.264031
73
Coordinates from ORCA-job orca E -7352.687216831915
  N      -3.190066     -4.104333      1.747206
  C      -3.637813     -4.986875      0.677846
  C      -3.844304     -6.383020      1.255823
  N      -3.015446     -6.519289      2.480056
  C      -3.337690     -7.786954      3.207618
  C      -4.208480     -7.489064      4.432320
  N      -4.790213     -6.174722      4.242064
  Mo     -3.533001     -4.666740      3.706811
  N      -1.706479     -5.330174      4.341167
  C      -0.815076     -6.092643      3.468926
  C      -1.559805     -6.426920      2.183166
  H      -0.491516     -7.006243      3.996679
  H       0.093792     -5.516393      3.229096
  H      -1.207588     -7.375932      1.747588
  H      -1.409762     -5.636888      1.442496
  H      -4.985570     -8.259244      4.541368
  H      -3.600644     -7.496528      5.352429
  H      -3.853988     -8.458722      2.508290
  H      -2.401874     -8.273121      3.507163
  H      -2.884922     -5.016635     -0.125044
  H      -4.575565     -4.604506      0.242943
  H      -3.576339     -7.166368      0.525960
  H      -4.887187     -6.539412      1.554170
  C      -2.581534     -2.942987      1.412375
  C      -2.273537     -2.505042      0.097141
  C      -1.721331     -1.255255     -0.093875
  C      -1.490022     -0.379007      0.994765
  C      -1.759492     -0.788639      2.281320
  C      -2.252678     -2.094375      2.514276
  N      -2.555844     -2.607600      3.747005
  C      -2.025509     -2.088506      4.859938
  C      -0.709656     -1.551942      5.082323
  O      -0.338499     -0.921469      6.042969
  Cl      0.584596     -2.164129      3.893654
  C      -6.038782     -5.876178      4.692632
  C      -6.930092     -6.731990      5.376231
  C      -8.193939     -6.270413      5.712878
  C      -8.598956     -4.964278      5.377217
  C      -7.730601     -4.100790      4.724564
  C      -6.435011     -4.538580      4.395606
  N      -5.477822     -3.804362      3.715252
  C      -5.709820     -2.458863      3.543161
  C      -5.492114     -1.817043      2.309738
  O      -5.256693     -2.253224      1.199057
  Cl     -5.661312      0.035829      2.513818
  C      -1.289240     -5.082654      5.612356
  C       0.011016     -5.321683      6.117558
  C       0.318123     -4.955712      7.415368
  C      -0.650961     -4.337895      8.237040
  C      -1.933405     -4.118106      7.773162
  C      -2.286698     -4.518098      6.465047
  N      -3.521161     -4.340502      5.885390
  C      -4.621470     -4.076630      6.638558
  C      -4.927053     -4.756784      7.856257
  O      -4.378512     -5.680492      8.416931
  Cl     -6.491453     -4.065146      8.578450
  H      -2.517323     -3.124917     -0.763373
  H      -1.508022     -0.915677     -1.108746
  H      -1.131165      0.633470      0.809100
  H      -1.631243     -0.109447      3.123608
  H      -2.605768     -2.166639      5.777082
  H      -6.626346     -7.740114      5.655866
  H      -8.880084     -6.928436      6.247543
  H      -9.603208     -4.625995      5.634657
  H      -8.051325     -3.097279      4.445342
  H      -6.180706     -1.891900      4.347749
  H       0.779160     -5.748676      5.474400
  H       1.328660     -5.110985      7.795154
  H      -0.378676     -4.011119      9.241120
  H      -2.669886     -3.614349      8.397143
  H      -5.388790     -3.431951      6.223958
  N      -7.408607     -5.529600      1.516481
  N      -8.463251     -5.345518      1.252263
73
Coordinates from ORCA-job orca E -7352.687268437849
  N      -3.189267     -4.107923      1.747334
  C      -3.630225     -4.993670      0.677672
  C      -3.845062     -6.385694      1.261943
  N      -3.012432     -6.520877      2.483490
  C      -3.331616     -7.787607      3.213075
  C      -4.217654     -7.492512      4.427993
  N      -4.792832     -6.175168      4.238295
  Mo     -3.531373     -4.668837      3.708009
  N      -1.703670     -5.331875      4.342288
  C      -0.811806     -6.092962      3.469413
  C      -1.557304     -6.428602      2.184446
  H      -0.486252     -7.005869      3.997112
  H       0.095976     -5.515446      3.228493
  H      -1.205396     -7.378050      1.749581
  H      -1.407561     -5.639285      1.443096
  H      -4.999699     -8.259680      4.522155
  H      -3.622252     -7.508174      5.356157
  H      -3.833493     -8.467722      2.511095
  H      -2.394552     -8.263194      3.524965
  H      -2.869123     -5.029571     -0.117423
  H      -4.562667     -4.611823      0.231178
  H      -3.585545     -7.174249      0.534722
  H      -4.887781     -6.531316      1.565812
  C      -2.584792     -2.944548      1.412335
  C      -2.280716     -2.505330      0.096592
  C      -1.733890     -1.253280     -0.095165
  C      -1.504672     -0.376131      0.993162
  C      -1.770296     -0.786966      2.280122
  C      -2.256775     -2.095074      2.513913
  N      -2.555231     -2.610234      3.747178
  C      -2.026153     -2.089873      4.860167
  C      -0.710966     -1.551834      5.084030
  O      -0.345385     -0.904612      6.035643
  Cl      0.585189     -2.149826      3.889715
  C      -6.041686     -5.874627      4.687404
  C      -6.936401     -6.729630      5.367523
  C      -8.199857     -6.265493      5.702286
  C      -8.600855     -4.957588      5.368488
  C      -7.728938     -4.094677      4.719768
  C      -6.433954     -4.535435      4.392519
  N      -5.473094     -3.802767      3.716732
  C      -5.699953     -2.455961      3.544162
  C      -5.481467     -1.817667      2.309250
  O      -5.257505     -2.257754      1.197691
  Cl     -5.668604      0.034714      2.504853
  C      -1.286329     -5.084984      5.613344
  C       0.014228     -5.323011      6.118199
  C       0.320677     -4.958653      7.416635
  C      -0.649392     -4.343832      8.239390
  C      -1.932081     -4.124922      7.775702
  C      -2.284361     -4.522637      6.466733
  N      -3.518741     -4.344734      5.887064
  C      -4.618130     -4.082071      6.642056
  C      -4.919572     -4.762422      7.860662
  O      -4.364153     -5.680638      8.423608
  Cl     -6.475572     -4.063978      8.594240
  H      -2.524193     -3.126055     -0.763398
  H      -1.524025     -0.912477     -1.110340
  H      -1.150705      0.637959      0.806928
  H      -1.644122     -0.107045      3.122103
  H      -2.607249     -2.167969      5.776669
  H      -6.635764     -7.738925      5.646260
  H      -8.888736     -6.922705      6.234405
  H      -9.604857     -4.617457      5.624480
  H      -8.046017     -3.089535      4.442197
  H      -6.167678     -1.886587      4.348953
  H       0.782924     -5.748212      5.474495
  H       1.331382     -5.113164      7.796283
  H      -0.377692     -4.018634      9.244136
  H      -2.669628     -3.623632      8.400572
  H      -5.386682     -3.437262      6.230110
  N      -7.403321     -5.517449      1.520946
  N      -8.458208     -5.326669      1.261950
73
Coordinates from ORCA-job orca E -7352.687297818609
  N      -3.188982     -4.109575      1.748263
  C      -3.629187     -4.996060      0.678958
  C      -3.846419     -6.387146      1.265325
  N      -3.011880     -6.521270      2.485835
  C      -3.328909     -7.787558      3.216570
  C      -4.224707     -7.494824      4.425188
  N      -4.794460     -6.174830      4.237598
  Mo     -3.530062     -4.670091      3.709138
  N      -1.702378     -5.332268      4.342676
  C      -0.810501     -6.093000      3.469424
  C      -1.556901     -6.429920      2.185199
  H      -0.483481     -7.005144      3.997487
  H       0.096517     -5.514802      3.227267
  H      -1.205742     -7.380060      1.751256
  H      -1.407101     -5.641546      1.442984
  H      -5.010796     -8.259124      4.508664
  H      -3.637215     -7.517697      5.358223
  H      -3.821259     -8.473084      2.512984
  H      -2.391021     -8.256208      3.536155
  H      -2.866203     -5.034086     -0.114367
  H      -4.560056     -4.613891      0.229632
  H      -3.588074     -7.177394      0.539670
  H      -4.888961     -6.528283      1.571424
  C      -2.586376     -2.945299      1.413242
  C      -2.283645     -2.505718      0.097315
  C      -1.738199     -1.253124     -0.094797
  C      -1.509026     -0.375847      0.993417
  C      -1.773311     -0.787024      2.280557
  C      -2.258455     -2.095538      2.514701
  N      -2.555027     -2.611217      3.748292
  C      -2.025534     -2.091275      4.861091
  C      -0.711397     -1.549901      5.083811
  O      -0.346477     -0.902219      6.035312
  Cl      0.584352     -2.142224      3.886471
  C      -6.042620     -5.872288      4.687666
  C      -6.938494     -6.725906      5.367985
  C      -8.200791     -6.259252      5.703895
  C      -8.599412     -4.950366      5.371016
  C      -7.726174     -4.088723      4.722273
  C      -6.432333     -4.532108      4.394131
  N      -5.470314     -3.801407      3.718479
  C      -5.694326     -2.454079      3.544903
  C      -5.475993     -1.818656      2.308536
  O      -5.253401     -2.261453      1.197775
  Cl     -5.659810      0.034576      2.500588
  C      -1.284283     -5.083953      5.613321
  C       0.016987     -5.319559      6.117127
  C       0.324093     -4.952980      7.414832
  C      -0.645942     -4.338056      8.237420
  C      -1.929457     -4.121591      7.774710
  C      -2.282625     -4.522218      6.466903
  N      -3.517995     -4.347436      5.887773
  C      -4.618244     -4.087837      6.643019
  C      -4.921391     -4.774034      7.857898
  O      -4.372644     -5.701693      8.411869
  Cl     -6.493470     -4.097163      8.577606
  H      -2.526976     -3.126868     -0.762433
  H      -1.529306     -0.912091     -1.110095
  H      -1.156108      0.638573      0.807005
  H      -1.647117     -0.106910      3.122374
  H      -2.605169     -2.172341      5.778309
  H      -6.639641     -7.735761      5.646598
  H      -8.890620     -6.915207      6.236328
  H      -9.602765     -4.608634      5.627449
  H      -8.041055     -3.082741      4.445227
  H      -6.159670     -1.882867      4.349773
  H       0.785776     -5.744306      5.473220
  H       1.335411     -5.105391      7.793702
  H      -0.373710     -4.010883      9.241383
  H      -2.666856     -3.620101      8.399457
  H      -5.387981     -3.444231      6.231393
  N      -7.402818     -5.516731      1.518326
  N      -8.457463     -5.322479      1.260942
73
Coordinates from ORCA-job orca E -7352.687345144009
  N      -3.188494     -4.110764      1.749079
  C      -3.631836     -4.996208      0.680477
  C      -3.848391     -6.388164      1.266731
  N      -3.012387     -6.520297      2.487019
  C      -3.325713     -7.786636      3.218660
  C      -4.233541     -7.498277      4.419560
  N      -4.796082     -6.174571      4.236700
  Mo     -3.528845     -4.671205      3.709601
  N      -1.701767     -5.331557      4.341350
  C      -0.809833     -6.091602      3.467318
  C      -1.557525     -6.429950      2.184081
  H      -0.480738     -7.002792      3.995681
  H       0.096119     -5.512383      3.223627
  H      -1.207395     -7.380886      1.751077
  H      -1.407975     -5.642578      1.440883
  H      -5.025067     -8.258467      4.488413
  H      -3.655738     -7.531962      5.358235
  H      -3.805755     -8.478852      2.513009
  H      -2.386508     -8.246246      3.547213
  H      -2.870358     -5.034492     -0.114419
  H      -4.562955     -4.612673      0.233110
  H      -3.585996     -7.178297      0.542701
  H      -4.890687     -6.527216      1.573957
  C      -2.584710     -2.947124      1.414293
  C      -2.279151     -2.509172      0.098489
  C      -1.731481     -1.257651     -0.094013
  C      -1.502705     -0.379729      0.993754
  C      -1.769817     -0.789318      2.280846
  C      -2.257723     -2.096645      2.515515
  N      -2.556968     -2.610415      3.749317
  C      -2.029781     -2.089902      4.862437
  C      -0.718680     -1.540769      5.085176
  O      -0.355740     -0.898908      6.041252
  Cl      0.579589     -2.130612      3.890256
  C      -6.043517     -5.870694      4.687916
  C      -6.939924     -6.723595      5.368423
  C      -8.201402     -6.255311      5.705366
  C      -8.598600     -4.945785      5.373352
  C      -7.724511     -4.084686      4.724917
  C      -6.431398     -4.529762      4.396115
  N      -5.469107     -3.800363      3.720130
  C      -5.692145     -2.452422      3.548383
  C      -5.486286     -1.818466      2.309209
  O      -5.274904     -2.262477      1.196771
  Cl     -5.660260      0.035715      2.502536
  C      -1.282694     -5.082650      5.611955
  C       0.019199     -5.316064      6.114381
  C       0.326805     -4.948674      7.411923
  C      -0.643405     -4.334989      8.234911
  C      -1.927742     -4.120470      7.773193
  C      -2.281483     -4.522337      6.466002
  N      -3.517807     -4.350178      5.887431
  C      -4.618155     -4.092617      6.643798
  C      -4.920620     -4.782784      7.856473
  O      -4.368504     -5.708517      8.410353
  Cl     -6.489679     -4.104720      8.582290
  H      -2.521448     -3.131193     -0.760964
  H      -1.520074     -0.918099     -1.109293
  H      -1.147713      0.633914      0.807059
  H      -1.643653     -0.108436      3.122059
  H      -2.608890     -2.175542      5.779653
  H      -6.642070     -7.733683      5.647252
  H      -8.891750     -6.910431      6.238157
  H      -9.601710     -4.603368      5.629880
  H      -8.037722     -3.078106      4.448143
  H      -6.151393     -1.881403      4.356832
  H       0.788204     -5.739647      5.469944
  H       1.338707     -5.099312      7.789953
  H      -0.370971     -4.007199      9.238633
  H      -2.665294     -3.619922      8.398459
  H      -5.388693     -3.448919      6.233777
  N      -7.403203     -5.525063      1.507234
  N      -8.457135     -5.327827      1.249659
73
Coordinates from ORCA-job orca E -7352.687383950853
  N      -3.188241     -4.113021      1.750399
  C      -3.636058     -4.998273      0.683618
  C      -3.851280     -6.390083      1.271808
  N      -3.011413     -6.520009      2.489866
  C      -3.319839     -7.785911      3.223625
  C      -4.243649     -7.502250      4.413795
  N      -4.798259     -6.174555      4.234948
  Mo     -3.527336     -4.672726      3.710721
  N      -1.699886     -5.330203      4.339872
  C      -0.807310     -6.087861      3.464266
  C      -1.557245     -6.429969      2.183040
  H      -0.473627     -6.997266      3.992748
  H       0.096027     -5.505713      3.217919
  H      -1.208005     -7.382123      1.752075
  H      -1.409433     -5.644723      1.437250
  H      -5.040555     -8.258255      4.465216
  H      -3.678655     -7.547214      5.359708
  H      -3.783591     -8.487060      2.515725
  H      -2.379233     -8.233299      3.564522
  H      -2.878363     -5.037511     -0.114870
  H      -4.568717     -4.613874      0.240248
  H      -3.589562     -7.181290      0.548893
  H      -4.892604     -6.525763      1.583646
  C      -2.584312     -2.949789      1.414685
  C      -2.278267     -2.513539      0.098451
  C      -1.731032     -1.262104     -0.095635
  C      -1.503657     -0.382463      0.991041
  C      -1.771291     -0.790474      2.278542
  C      -2.258060     -2.097883      2.514980
  N      -2.558420     -2.609698      3.749429
  C      -2.034934     -2.087278      4.862982
  C      -0.726327     -1.532760      5.088694
  O      -0.369688     -0.886153      6.043882
  Cl      0.578023     -2.120455      3.899992
  C      -6.045792     -5.869200      4.684838
  C      -6.944109     -6.721753      5.363332
  C      -8.205347     -6.252079      5.699247
  C      -8.600465     -4.941665      5.368207
  C      -7.724422     -4.080845      4.722039
  C      -6.431479     -4.527400      4.394300
  N      -5.467313     -3.798633      3.720718
  C      -5.687951     -2.449862      3.551362
  C      -5.481568     -1.814560      2.312996
  O      -5.270379     -2.257460      1.200068
  Cl     -5.647806      0.040011      2.509700
  C      -1.279788     -5.081658      5.610578
  C       0.022828     -5.312970      6.111481
  C       0.330414     -4.947534      7.409785
  C      -0.640794     -4.338266      8.234595
  C      -1.925882     -4.125331      7.773823
  C      -2.279093     -4.524512      6.465808
  N      -3.515847     -4.352884      5.887898
  C      -4.615006     -4.095808      6.646495
  C      -4.913300     -4.785953      7.860022
  O      -4.357936     -5.710040      8.413404
  Cl     -6.480681     -4.108583      8.590769
  H      -2.519661     -3.137144     -0.760127
  H      -1.519078     -0.923994     -1.111281
  H      -1.149296      0.631189      0.803219
  H      -1.646295     -0.108008      3.118636
  H      -2.616014     -2.174252      5.778761
  H      -6.647840     -7.732298      5.642169
  H      -8.897118     -6.906721      6.230779
  H      -9.603581     -4.598419      5.623628
  H      -8.035700     -3.073500      4.445906
  H      -6.145940     -1.879485      4.360952
  H       0.792366     -5.733724      5.465825
  H       1.342806     -5.096902      7.787001
  H      -0.368842     -4.012539      9.239127
  H      -2.664584     -3.628381      8.400764
  H      -5.386460     -3.451662      6.238905
  N      -7.405031     -5.534530      1.503456
  N      -8.458794     -5.333500      1.248384
73
Coordinates from ORCA-job orca E -7352.687442541906
  N      -3.188247     -4.117379      1.753818
  C      -3.645296     -5.002163      0.690579
  C      -3.856732     -6.393804      1.282150
  N      -3.009209     -6.520795      2.495258
  C      -3.309434     -7.785635      3.232728
  C      -4.265484     -7.511155      4.400079
  N      -4.804551     -6.175613      4.229329
  Mo     -3.525647     -4.676897      3.713174
  N      -1.697037     -5.328133      4.337831
  C      -0.802348     -6.079911      3.459051
  C      -1.556379     -6.430976      2.181826
  H      -0.458203     -6.985262      3.987620
  H       0.094810     -5.490611      3.207328
  H      -1.208337     -7.385747      1.755847
  H      -1.412388     -5.650785      1.429928
  H      -5.071517     -8.259093      4.417033
  H      -3.726791     -7.577656      5.359862
  H      -3.740220     -8.503376      2.520268
  H      -2.367525     -8.209145      3.599001
  H      -2.897257     -5.042311     -0.116774
  H      -4.582479     -4.616504      0.257645
  H      -3.599963     -7.186782      0.559637
  H      -4.895641     -6.523991      1.604311
  C      -2.583621     -2.954933      1.416667
  C      -2.276745     -2.521065      0.099858
  C      -1.729742     -1.269906     -0.096325
  C      -1.504087     -0.388074      0.988989
  C      -1.772434     -0.793972      2.277030
  C      -2.258035     -2.101383      2.515825
  N      -2.559893     -2.610713      3.751045
  C      -2.040228     -2.087539      4.865370
  C      -0.735086     -1.525361      5.094717
  O      -0.386374     -0.875168      6.050339
  Cl      0.576458     -2.106398      3.911884
  C      -6.051612     -5.866219      4.677763
  C      -6.953872     -6.717787      5.352506
  C      -8.213522     -6.244360      5.688923
  C      -8.603486     -4.931349      5.361848
  C      -7.723764     -4.071677      4.719281
  C      -6.432100     -4.522029      4.390994
  N      -5.464624     -3.795059      3.720618
  C      -5.679554     -2.444701      3.555850
  C      -5.463063     -1.804837      2.321627
  O      -5.249598     -2.244077      1.207598
  Cl     -5.626350      0.049263      2.524746
  C      -1.274615     -5.077064      5.607967
  C       0.030267     -5.300965      6.105396
  C       0.338734     -4.934722      7.403554
  C      -0.634145     -4.331933      8.230733
  C      -1.921468     -4.125533      7.772580
  C      -2.275039     -4.525399      6.465009
  N      -3.513975     -4.360221      5.889005
  C      -4.613460     -4.109211      6.649799
  C      -4.906957     -4.803370      7.861970
  O      -4.344258     -5.722829      8.415674
  Cl     -6.472600     -4.129133      8.600558
  H      -2.516900     -3.146784     -0.757529
  H      -1.516750     -0.933831     -1.112421
  H      -1.150305      0.625512      0.799761
  H      -1.648864     -0.109397      3.115579
  H      -2.622540     -2.179062      5.779944
  H      -6.661578     -7.730054      5.629214
  H      -8.908082     -6.898021      6.218041
  H      -9.605614     -4.585273      5.617350
  H      -8.031083     -3.062391      4.445896
  H      -6.138554     -1.875497      4.365700
  H       0.800852     -5.716539      5.457645
  H       1.352752     -5.078749      7.778464
  H      -0.362237     -4.005856      9.235173
  H      -2.661714     -3.633426      8.401498
  H      -5.388584     -3.468184      6.244121
  N      -7.408929     -5.555478      1.498830
  N      -8.462725     -5.347920      1.249463
73
Coordinates from ORCA-job orca E -7352.687512739964
  N      -3.189399     -4.121655      1.757533
  C      -3.653903     -5.006740      0.697677
  C      -3.861800     -6.397761      1.292653
  N      -3.007033     -6.521776      2.500979
  C      -3.299110     -7.784933      3.242823
  C      -4.288617     -7.520012      4.384821
  N      -4.811937     -6.176566      4.222737
  Mo     -3.525163     -4.680544      3.716440
  N      -1.694113     -5.325496      4.336340
  C      -0.797411     -6.070428      3.453766
  C      -1.555753     -6.430867      2.181039
  H      -0.442002     -6.971718      3.981717
  H       0.092962     -5.473374      3.196386
  H      -1.208071     -7.387859      1.759828
  H      -1.416712     -5.655685      1.422962
  H      -5.102308     -8.259659      4.365697
  H      -3.778835     -7.608326      5.358511
  H      -3.694709     -8.519339      2.526575
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  H      -2.914269     -5.047768     -0.117119
  H      -4.595286     -4.620740      0.273743
  H      -3.612369     -7.192390      0.569572
  H      -4.897929     -6.523486      1.625571
  C      -2.582004     -2.961240      1.418340
  C      -2.273396     -2.530784      0.100785
  C      -1.726050     -1.280244     -0.097897
  C      -1.502632     -0.395476      0.985573
  C      -1.772472     -0.798248      2.274275
  C      -2.256739     -2.105644      2.515989
  N      -2.560861     -2.611875      3.752034
  C      -2.046032     -2.086616      4.867112
  C      -0.743692     -1.518890      5.101351
  O      -0.404069     -0.861524      6.055305
  Cl      0.576437     -2.097050      3.927715
  C      -6.058855     -5.863409      4.669007
  C      -6.965605     -6.714994      5.337934
  C      -8.223909     -6.238543      5.674755
  C      -8.608488     -4.922531      5.353277
  C      -7.724784     -4.063235      4.715918
  C      -6.434064     -4.516603      4.387240
  N      -5.462995     -3.790400      3.721651
  C      -5.672752     -2.438400      3.563458
  C      -5.452194     -1.792588      2.333221
  O      -5.238251     -2.226298      1.216987
  Cl     -5.605274      0.061138      2.547024
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  C       0.038888     -5.288442      6.098576
  C       0.349016     -4.921774      7.396413
  C      -0.625102     -4.325950      8.226890
  C      -1.914911     -4.126240      7.772227
  C      -2.269513     -4.526459      6.465193
  N      -3.510658     -4.366653      5.891675
  C      -4.609485     -4.120362      6.655278
  C      -4.897744     -4.816371      7.867491
  O      -4.331843     -5.735376      8.418676
  Cl     -6.465121     -4.148729      8.609298
  H      -2.512701     -3.158731     -0.755201
  H      -1.511602     -0.946767     -1.114534
  H      -1.149326      0.617899      0.794359
  H      -1.651002     -0.111025      3.110918
  H      -2.631121     -2.179627      5.779722
  H      -6.677527     -7.729630      5.610307
  H      -8.921655     -6.892143      6.199751
  H      -9.609562     -4.573755      5.609256
  H      -8.028262     -3.051650      4.446803
  H      -6.130376     -1.871296      4.375558
  H       0.810095     -5.698400      5.447984
  H       1.364913     -5.060324      7.768265
  H      -0.352605     -3.999747      9.231130
  H      -2.656358     -3.639167      8.403671
  H      -5.387760     -3.481674      6.251951
  N      -7.410874     -5.578405      1.496292
  N      -8.464929     -5.365790      1.252615
73
Coordinates from ORCA-job orca E -7352.687584731192
  N      -3.190535     -4.125913      1.761393
  C      -3.663249     -5.011128      0.705106
  C      -3.867123     -6.401686      1.303350
  N      -3.005090     -6.522718      2.506793
  C      -3.289203     -7.784002      3.253182
  C      -4.311123     -7.528531      4.369165
  N      -4.819206     -6.177559      4.216084
  Mo     -3.524754     -4.684172      3.719763
  N      -1.691336     -5.322870      4.334725
  C      -0.792729     -6.060849      3.448255
  C      -1.555431     -6.430819      2.180195
  H      -0.425984     -6.957955      3.975474
  H       0.090686     -5.456047      3.185162
  H      -1.208118     -7.390066      1.763895
  H      -1.421535     -5.660841      1.415796
  H      -5.131056     -8.259545      4.314316
  H      -3.830402     -7.638358      5.355335
  H      -3.649576     -8.534282      2.534432
  H      -2.348838     -8.156889      3.673432
  H      -2.933034     -5.052776     -0.117860
  H      -4.609242     -4.624700      0.291366
  H      -3.625119     -7.197827      0.579589
  H      -4.900307     -6.522954      1.647008
  C      -2.579997     -2.967737      1.420083
  C      -2.269429     -2.540876      0.101786
  C      -1.721579     -1.291045     -0.099464
  C      -1.500549     -0.403210      0.982075
  C      -1.772109     -0.802680      2.271433
  C      -2.255053     -2.110038      2.516178
  N      -2.561781     -2.612960      3.753060
  C      -2.052074     -2.085590      4.868978
  C      -0.752488     -1.512707      5.108665
  O      -0.422570     -0.847240      6.060377
  Cl      0.576732     -2.088466      3.945200
  C      -6.066074     -5.860843      4.659933
  C      -6.977260     -6.712602      5.322857
  C      -8.234349     -6.233410      5.659905
  C      -8.613760     -4.914506      5.344025
  C      -7.726180     -4.055446      4.712011
  C      -6.436246     -4.511505      4.383076
  N      -5.461627     -3.785795      3.722454
  C      -5.666476     -2.432214      3.571268
  C      -5.441461     -1.779774      2.345510
  O      -5.226208     -2.207250      1.226984
  Cl     -5.583810      0.073334      2.571159
  C      -1.262787     -5.067261      5.602826
  C       0.047474     -5.275975      6.091439
  C       0.359464     -4.908889      7.388912
  C      -0.615702     -4.319968      8.222788
  C      -1.907993     -4.126891      7.771757
  C      -2.263821     -4.527489      6.465318
  N      -3.507186     -4.372876      5.894402
  C      -4.605169     -4.130792      6.660871
  C      -4.888331     -4.828201      7.873325
  O      -4.319872     -5.747190      8.421897
  Cl     -6.457203     -4.166476      8.618199
  H      -2.507866     -3.171087     -0.752764
  H      -1.505509     -0.960309     -1.116644
  H      -1.147665      0.609917      0.788808
  H      -1.652899     -0.112693      3.106075
  H      -2.640353     -2.179749      5.779372
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  H      -8.935220     -6.887089      6.180637
  H      -9.613849     -4.563210      5.600423
  H      -8.026040     -3.041656      4.447204
  H      -6.123100     -1.867610      4.385669
  H       0.819156     -5.680329      5.437900
  H       1.377236     -5.042014      7.757575
  H      -0.342479     -3.993634      9.226787
  H      -2.650486     -3.644775      8.405789
  H      -5.386315     -3.494159      6.259880
  N      -7.412370     -5.602155      1.494610
  N      -8.466799     -5.385258      1.256252
73
Coordinates from ORCA-job orca E -7352.687683767787
  N      -3.193575     -4.129647      1.766037
  C      -3.673600     -5.015660      0.713424
  C      -3.871168     -6.406231      1.313870
  N      -3.002918     -6.523955      2.513132
  C      -3.279354     -7.782488      3.264969
  C      -4.336770     -7.537420      4.350495
  N      -4.828309     -6.178276      4.207892
  Mo     -3.525764     -4.687402      3.724251
  N      -1.688444     -5.319245      4.334174
  C      -0.787970     -6.049504      3.443501
  C      -1.554941     -6.429619      2.180575
  H      -0.409292     -6.942357      3.969469
  H       0.087968     -5.436524      3.174462
  H      -1.206893     -7.390726      1.769137
  H      -1.427331     -5.664988      1.409644
  H      -5.161397     -8.259172      4.256373
  H      -3.889883     -7.670196      5.349679
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  H      -2.342605     -8.127578      3.715359
  H      -2.953229     -5.056396     -0.117832
  H      -4.625174     -4.630360      0.310809
  H      -3.637534     -7.202546      0.587660
  H      -4.900655     -6.526868      1.668265
  C      -2.578677     -2.974560      1.421891
  C      -2.266500     -2.551508      0.102659
  C      -1.717460     -1.302725     -0.101271
  C      -1.497660     -0.411945      0.978194
  C      -1.770436     -0.807849      2.268361
  C      -2.252543     -2.114973      2.516271
  N      -2.561257     -2.614666      3.754040
  C      -2.055201     -2.085082      4.870151
  C      -0.757300     -1.508804      5.113572
  O      -0.434821     -0.836255      6.062837
  Cl      0.578763     -2.084181      3.958802
  C      -6.075245     -5.857525      4.648956
  C      -6.991649     -6.709971      5.304059
  C      -8.247246     -6.228019      5.642169
  C      -8.620531     -4.905485      5.334098
  C      -7.728555     -4.046403      4.708699
  C      -6.439540     -4.505099      4.378801
  N      -5.461070     -3.779484      3.724138
  C      -5.660645     -2.424313      3.580828
  C      -5.431240     -1.764093      2.360329
  O      -5.214863     -2.183813      1.238887
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  C      -1.256333     -5.060878      5.600752
  C       0.057010     -5.261232      6.084343
  C       0.371207     -4.893817      7.381280
  C      -0.604982     -4.312640      8.219277
  C      -1.899994     -4.126908      7.772519
  C      -2.257232     -4.527630      6.466657
  N      -3.502962     -4.378411      5.898753
  C      -4.600400     -4.142324      6.667772
  C      -4.877524     -4.840007      7.881387
  O      -4.306226     -5.758829      8.427253
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  H      -2.505216     -3.183477     -0.750485
  H      -1.500166     -0.974740     -1.119073
  H      -1.144748      0.600719      0.782579
  H      -1.652763     -0.115265      3.101021
  H      -2.645732     -2.178769      5.779077
  H      -6.712365     -7.730022      5.565007
  H      -8.951776     -6.882328      6.157150
  H      -9.619192     -4.551179      5.591924
  H      -8.024487     -3.029852      4.450095
  H      -6.115969     -1.862482      4.397896
  H       0.828979     -5.659416      5.427349
  H       1.391056     -5.020996      7.746247
  H      -0.330732     -3.986287      9.222979
  H      -2.643508     -3.650333      8.409592
  H      -5.385693     -3.509795      6.268327
  N      -7.410730     -5.634059      1.493195
  N      -8.466147     -5.417057      1.259521
73
Coordinates from ORCA-job orca E -7352.687752677116
  N      -3.203533     -4.129805      1.774012
  C      -3.689611     -5.017347      0.725084
  C      -3.870583     -6.411530      1.320465
  N      -3.002095     -6.525583      2.519492
  C      -3.274373     -7.779369      3.277399
  C      -4.369935     -7.545986      4.326135
  N      -4.841729     -6.177033      4.198464
  Mo     -3.531819     -4.687783      3.733414
  N      -1.685782     -5.312949      4.338006
  C      -0.784670     -6.035046      3.442368
  C      -1.555465     -6.424410      2.185098
  H      -0.394552     -6.924881      3.965312
  H       0.084019     -5.414383      3.167342
  H      -1.203445     -7.385465      1.776322
  H      -1.436678     -5.663749      1.408745
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  H      -3.554566     -8.560344      2.554897
  H      -2.344692     -8.096709      3.761555
  H      -2.981051     -5.049743     -0.115861
  H      -4.650704     -4.638169      0.338575
  H      -3.642133     -7.200612      0.584556
  H      -4.894861     -6.552566      1.681959
  C      -2.579173     -2.981279      1.424857
  C      -2.266701     -2.562146      0.104175
  C      -1.712760     -1.316048     -0.102233
  C      -1.488770     -0.423589      0.975010
  C      -1.760929     -0.815547      2.266405
  C      -2.245174     -2.121399      2.517322
  N      -2.553493     -2.618411      3.756109
  C      -2.044702     -2.087327      4.870301
  C      -0.743119     -1.517298      5.111465
  O      -0.418444     -0.840033      6.056669
  Cl      0.590246     -2.100376      3.957953
  C      -6.089582     -5.851726      4.635287
  C      -7.013184     -6.707369      5.276100
  C      -8.267768     -6.224433      5.615839
  C      -8.633342     -4.896710      5.321191
  C      -7.735433     -4.035823      4.707346
  C      -6.446699     -4.495357      4.376419
  N      -5.463961     -3.767579      3.731146
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  C      -5.428463     -1.740564      2.383461
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  Cl     -5.552737      0.109774      2.641325
  C      -1.248439     -5.049263      5.601051
  C       0.069344     -5.239271      6.078040
  C       0.387511     -4.869432      7.372961
  C      -0.588687     -4.295449      8.216474
  C      -1.887235     -4.119090      7.776393
  C      -2.247592     -4.522167      6.472248
  N      -3.496316     -4.379374      5.908931
  C      -4.595297     -4.155540      6.677827
  C      -4.866851     -4.851274      7.894140
  O      -4.291541     -5.768070      8.439156
  Cl     -6.458071     -4.226837      8.623107
  H      -2.510476     -3.193107     -0.748205
  H      -1.495636     -0.990498     -1.120855
  H      -1.133273      0.587598      0.776418
  H      -1.641197     -0.121631      3.097613
  H      -2.634369     -2.173437      5.780503
  H      -6.739373     -7.732608      5.522124
  H      -8.977515     -6.881909      6.119478
  H      -9.630332     -4.539352      5.581247
  H      -8.027641     -3.015444      4.459510
  H      -6.111973     -1.853117      4.418494
  H       0.840512     -5.631474      5.416516
  H       1.410191     -4.989028      7.732474
  H      -0.311530     -3.967219      9.218726
  H      -2.630667     -3.647344      8.417134
  H      -5.388468     -3.534584      6.275491
  N      -7.398743     -5.698262      1.488940
  N      -8.456748     -5.496644      1.255524
73
Coordinates from ORCA-job orca E -7352.687836169703
  N      -3.202749     -4.135250      1.777266
  C      -3.700920     -5.021615      0.732864
  C      -3.880671     -6.415125      1.333758
  N      -3.001836     -6.525102      2.525770
  C      -3.264198     -7.777156      3.288721
  C      -4.385797     -7.552105      4.313159
  N      -4.846005     -6.178139      4.193696
  Mo     -3.529522     -4.691741      3.735576
  N      -1.683654     -5.311715      4.334431
  C      -0.781350     -6.027494      3.434537
  C      -1.557095     -6.425504      2.181879
  H      -0.380592     -6.912685      3.957072
  H       0.080556     -5.400074      3.153669
  H      -1.207018     -7.389322      1.778255
  H      -1.442273     -5.670252      1.399576
  H      -5.216175     -8.253425      4.143391
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  H      -3.512202     -8.572449      2.569728
  H      -2.338055     -8.070506      3.794019
  H      -3.001984     -5.057413     -0.116070
  H      -4.664609     -4.639397      0.355878
  H      -3.655921     -7.208177      0.601240
  H      -4.903191     -6.544836      1.704272
  C      -2.576546     -2.988256      1.426964
  C      -2.261727     -2.572637      0.105794
  C      -1.706844     -1.327448     -0.103197
  C      -1.485300     -0.432060      0.972165
  C      -1.759971     -0.820758      2.264054
  C      -2.244066     -2.126047      2.518091
  N      -2.555923     -2.618967      3.757869
  C      -2.054014     -2.085997      4.873605
  C      -0.756969     -1.507906      5.121865
  O      -0.443760     -0.824577      6.066517
  Cl      0.587093     -2.083541      3.978045
  C      -6.094318     -5.850803      4.627651
  C      -7.021378     -6.705900      5.264308
  C      -8.276008     -6.220806      5.601031
  C      -8.638060     -4.891730      5.308124
  C      -7.736356     -4.030958      4.699504
  C      -6.447774     -4.492911      4.371081
  N      -5.461025     -3.765248      3.731715
  C      -5.650691     -2.407275      3.606694
  C      -5.413313     -1.729707      2.397488
  O      -5.195223     -2.132054      1.269874
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  C       0.076257     -5.228286      6.069690
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  C      -1.881802     -4.118727      7.773140
  C      -2.243413     -4.523485      6.470023
  N      -3.494305     -4.386759      5.909238
  C      -4.592080     -4.165641      6.681709
  C      -4.859257     -4.865754      7.896200
  O      -4.279212     -5.780546      8.439670
  Cl     -6.445152     -4.239358      8.636623
  H      -2.503687     -3.206358     -0.745085
  H      -1.487405     -1.004965     -1.122294
  H      -1.129597      0.578697      0.771797
  H      -1.642095     -0.124046      3.093140
  H      -2.647878     -2.176010      5.780720
  H      -6.750206     -7.731566      5.511360
  H      -8.988380     -6.877532      6.101941
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  H      -0.303358     -3.959399      9.211840
  H      -2.626121     -3.651245      8.415894
  H      -5.386781     -3.544220      6.283436
  N      -7.404685     -5.712399      1.488267
  N      -8.463669     -5.504949      1.258638
73
Coordinates from ORCA-job orca E -7352.687790979644
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  C      -3.706106     -5.015317      0.730754
  C      -3.886851     -6.410755      1.331916
  N      -3.006320     -6.519285      2.522251
  C      -3.269115     -7.774686      3.281199
  C      -4.359523     -7.541349      4.336074
  N      -4.834367     -6.175081      4.206887
  Mo     -3.525590     -4.687491      3.732146
  N      -1.685826     -5.313968      4.331659
  C      -0.785889     -6.035995      3.433077
  C      -1.561071     -6.425101      2.176588
  H      -0.393369     -6.923889      3.957108
  H       0.081638     -5.415017      3.155258
  H      -1.214929     -7.388319      1.768754
  H      -1.440089     -5.664986      1.399987
  H      -5.191804     -8.247649      4.198444
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  H      -3.555987     -8.560035      2.566027
  H      -2.333616     -8.092344      3.754606
  H      -3.005630     -5.053232     -0.117785
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  H      -3.639684     -7.204736      0.607635
  H      -4.914629     -6.541870      1.689399
  C      -2.578660     -2.984054      1.425275
  C      -2.265757     -2.566794      0.104459
  C      -1.708803     -1.322346     -0.104508
  C      -1.482763     -0.429095      0.971432
  C      -1.756905     -0.819309      2.263141
  C      -2.246403     -2.122513      2.516502
  N      -2.557679     -2.614523      3.756506
  C      -2.055080     -2.081460      4.871883
  C      -0.760402     -1.498576      5.117160
  O      -0.441617     -0.829986      6.070419
  Cl      0.579532     -2.064280      3.962433
  C      -6.085051     -5.854410      4.639220
  C      -7.008165     -6.709161      5.281227
  C      -8.267711     -6.228014      5.607192
  C      -8.636795     -4.904015      5.300960
  C      -7.736557     -4.041737      4.690918
  C      -6.445112     -4.500981      4.372224
  N      -5.458707     -3.771621      3.733747
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  C      -5.404918     -1.737913      2.399552
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  C      -1.891563     -4.121843      7.770725
  C      -2.250450     -4.523617      6.465957
  N      -3.498692     -4.381628      5.902607
  C      -4.596247     -4.154439      6.674857
  C      -4.864947     -4.857345      7.887171
  O      -4.278418     -5.764659      8.436518
  Cl     -6.438651     -4.215545      8.641042
  H      -2.507844     -3.200179     -0.746753
  H      -1.489711     -0.999784     -1.123681
  H      -1.124049      0.580795      0.772063
  H      -1.634307     -0.124341      3.093059
  H      -2.648015     -2.175195      5.779372
  H      -6.730996     -7.729333      5.543990
  H      -8.977993     -6.883746      6.112326
  H      -9.639154     -4.551277      5.546345
  H      -8.027914     -3.023703      4.433167
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  H       0.839516     -5.635407      5.414607
  H       1.405215     -4.993691      7.732055
  H      -0.317893     -3.972722      9.215674
  H      -2.636236     -3.651802      8.411205
  H      -5.387028     -3.526946      6.278927
  N      -7.400767     -5.693469      1.487353
  N      -8.460592     -5.489806      1.252234
73
Coordinates from ORCA-job orca E -7352.688020115500
  N      -3.208169     -4.134611      1.779568
  C      -3.716350     -5.019690      0.739721
  C      -3.887843     -6.415772      1.341580
  N      -3.004061     -6.519037      2.529200
  C      -3.261181     -7.769463      3.294966
  C      -4.388339     -7.547778      4.312287
  N      -4.844733     -6.173006      4.198129
  Mo     -3.528920     -4.687655      3.739024
  N      -1.682401     -5.307605      4.333430
  C      -0.781091     -6.021190      3.430342
  C      -1.560353     -6.421464      2.179645
  H      -0.375626     -6.904387      3.952530
  H       0.078021     -5.391633      3.145816
  H      -1.212288     -7.386184      1.776791
  H      -1.445777     -5.666750      1.396867
  H      -5.223157     -8.240858      4.129118
  H      -4.011685     -7.737591      5.330746
  H      -3.507239     -8.570759      2.581792
  H      -2.333161     -8.057547      3.800972
  H      -3.021876     -5.054926     -0.113471
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  H      -3.644639     -7.207900      0.613796
  H      -4.912519     -6.555688      1.705776
  C      -2.581029     -2.989677      1.427060
  C      -2.268658     -2.575965      0.104883
  C      -1.708937     -1.333305     -0.107043
  C      -1.479864     -0.438224      0.966769
  C      -1.752275     -0.825422      2.259725
  C      -2.242219     -2.127862      2.516423
  N      -2.552276     -2.617442      3.757574
  C      -2.048979     -2.082797      4.872082
  C      -0.752426     -1.504109      5.118069
  O      -0.434353     -0.830692      6.068251
  Cl      0.588421     -2.073193      3.965898
  C      -6.095217     -5.848487      4.629743
  C      -7.024297     -6.705323      5.260066
  C      -8.281857     -6.221315      5.589397
  C      -8.643397     -4.892357      5.295890
  C      -7.738067     -4.029040      4.695037
  C      -6.448051     -4.491075      4.374096
  N      -5.458410     -3.762097      3.740670
  C      -5.644127     -2.402898      3.622258
  C      -5.401276     -1.723846      2.413954
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  C      -1.242579     -5.041704      5.595617
  C       0.076743     -5.223946      6.069588
  C       0.394181     -4.854593      7.365392
  C      -0.584064     -4.289458      8.211645
  C      -1.884569     -4.119748      7.774043
  C      -2.243945     -4.521022      6.469417
  N      -3.494139     -4.385060      5.908994
  C      -4.593138     -4.169491      6.681795
  C      -4.855180     -4.873942      7.894739
  O      -4.261172     -5.776685      8.443571
  Cl     -6.442477     -4.256466      8.640024
  H      -2.514165     -3.209710     -0.745077
  H      -1.490628     -1.013029     -1.127108
  H      -1.120108      0.570750      0.764663
  H      -1.628194     -0.128921      3.088069
  H      -2.642736     -2.171894      5.779437
  H      -6.752755     -7.730091      5.510666
  H      -8.996643     -6.878881      6.085718
  H      -9.644136     -4.536538      5.543448
  H      -8.024831     -3.007430      4.446266
  H      -6.100015     -1.851987      4.446501
  H       0.849595     -5.610123      5.406496
  H       1.418134     -4.968161      7.723359
  H      -0.307481     -3.962621      9.214574
  H      -2.630748     -3.656090      8.417533
  H      -5.391280     -3.551679      6.284986
  N      -7.398437     -5.738116      1.477088
  N      -8.458139     -5.540473      1.241422
73
Coordinates from ORCA-job orca E -7352.688016757837
  N      -3.220297     -4.129868      1.780071
  C      -3.704577     -5.023130      0.735528
  C      -3.871397     -6.418306      1.332902
  N      -3.000005     -6.520733      2.529628
  C      -3.261256     -7.766369      3.299818
  C      -4.401907     -7.548478      4.301834
  N      -4.853255     -6.170334      4.192778
  Mo     -3.539148     -4.681907      3.744427
  N      -1.682198     -5.302659      4.342976
  C      -0.779767     -6.012240      3.440965
  C      -1.555829     -6.413225      2.190518
  H      -0.372193     -6.896404      3.960279
  H       0.077558     -5.379689      3.157343
  H      -1.200457     -7.374702      1.785304
  H      -1.444214     -5.656188      1.409972
  H      -5.232602     -8.242241      4.104804
  H      -4.047797     -7.743899      5.328638
  H      -3.493264     -8.570548      2.584784
  H      -2.339879     -8.042944      3.822794
  H      -2.993873     -5.052945     -0.103700
  H      -4.667543     -4.652748      0.345743
  H      -3.632212     -7.204541      0.596789
  H      -4.893155     -6.581778      1.691554
  C      -2.591453     -2.985839      1.425761
  C      -2.285638     -2.568597      0.102731
  C      -1.722483     -1.327158     -0.107023
  C      -1.481168     -0.437462      0.968767
  C      -1.745335     -0.827921      2.262246
  C      -2.239238     -2.129596      2.516466
  N      -2.541273     -2.624919      3.756981
  C      -2.021455     -2.095315      4.868406
  C      -0.712208     -1.543193      5.101470
  O      -0.368080     -0.880961      6.050713
  Cl      0.604721     -2.131838      3.928872
  C      -6.103814     -5.845479      4.626315
  C      -7.035411     -6.706495      5.246788
  C      -8.290315     -6.222562      5.585734
  C      -8.647195     -4.889012      5.308614
  C      -7.740959     -4.023258      4.713248
  C      -6.452649     -4.484784      4.384897
  N      -5.463898     -3.755037      3.752061
  C      -5.649808     -2.396235      3.630819
  C      -5.428138     -1.722090      2.416475
  O      -5.233061     -2.128276      1.286288
  Cl     -5.525148      0.128334      2.685449
  C      -1.242550     -5.035559      5.602507
  C       0.078883     -5.215190      6.075298
  C       0.398644     -4.841136      7.367997
  C      -0.578139     -4.272168      8.214966
  C      -1.879463     -4.105621      7.780010
  C      -2.241818     -4.514159      6.478073
  N      -3.492710     -4.379545      5.917962
  C      -4.595458     -4.169827      6.684827
  C      -4.868131     -4.875955      7.895185
  O      -4.285062     -5.787738      8.440400
  Cl     -6.474642     -4.278416      8.611585
  H      -2.541167     -3.196278     -0.748681
  H      -1.510671     -1.002732     -1.127141
  H      -1.118729      0.570692      0.767380
  H      -1.613112     -0.136018      3.093185
  H      -2.606569     -2.174082      5.782423
  H      -6.767655     -7.736683      5.478405
  H      -9.006990     -6.884206      6.073833
  H      -9.644696     -4.530972      5.565851
  H      -8.026256     -2.998018      4.477394
  H      -6.094994     -1.841524      4.458438
  H       0.850408     -5.601716      5.410810
  H       1.423704     -4.951766      7.723650
  H      -0.298345     -3.939503      9.214970
  H      -2.623361     -3.636773      8.422047
  H      -5.394937     -3.558153      6.280676
  N      -7.390183     -5.756796      1.466434
  N      -8.448305     -5.568994      1.227339
73
Coordinates from ORCA-job orca E -7352.688302311648
  N      -3.223097     -4.133144      1.782477
  C      -3.718727     -5.026198      0.743301
  C      -3.879979     -6.421727      1.345791
  N      -2.999792     -6.516853      2.536064
  C      -3.252265     -7.759174      3.312601
  C      -4.414512     -7.549366      4.290484
  N      -4.855548     -6.167320      4.191858
  Mo     -3.537182     -4.681496      3.747368
  N      -1.679416     -5.298082      4.340232
  C      -0.776305     -6.002156      3.433944
  C      -1.557311     -6.411951      2.187989
  H      -0.358132     -6.881317      3.953110
  H       0.074174     -5.363368      3.143896
  H      -1.204240     -7.376299      1.787969
  H      -1.448152     -5.659911      1.402258
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  H      -3.458339     -8.577237      2.605168
  H      -2.334222     -8.013555      3.853137
  H      -3.015750     -5.058016     -0.102795
  H      -4.683982     -4.654979      0.360824
  H      -3.633392     -7.210623      0.615093
  H      -4.901577     -6.582901      1.707284
  C      -2.592922     -2.991295      1.425676
  C      -2.287907     -2.577671      0.101499
  C      -1.722353     -1.337961     -0.112268
  C      -1.478283     -0.446194      0.961095
  C      -1.742160     -0.833405      2.255705
  C      -2.238578     -2.133201      2.513987
  N      -2.540775     -2.623847      3.756104
  C      -2.024597     -2.090100      4.867017
  C      -0.719398     -1.529778      5.101536
  O      -0.379223     -0.870110      6.053992
  Cl      0.602451     -2.108629      3.929186
  C      -6.107027     -5.842337      4.623350
  C      -7.042087     -6.703799      5.237403
  C      -8.297985     -6.218282      5.571661
  C      -8.651648     -4.883493      5.296612
  C      -7.741107     -4.016794      4.708359
  C      -6.452746     -4.480683      4.384285
  N      -5.459883     -3.751017      3.757448
  C      -5.639387     -2.390409      3.644769
  C      -5.408069     -1.711422      2.434176
  O      -5.216084     -2.115046      1.302992
  Cl     -5.494550      0.138237      2.711433
  C      -1.239129     -5.030478      5.599784
  C       0.082776     -5.205984      6.071926
  C       0.400366     -4.835554      7.366557
  C      -0.579115     -4.275349      8.215826
  C      -1.881088     -4.112203      7.781166
  C      -2.240595     -4.514923      6.476893
  N      -3.491511     -4.383142      5.917627
  C      -4.594072     -4.180437      6.687565
  C      -4.856839     -4.891268      7.896980
  O      -4.259980     -5.793576      8.443240
  Cl     -6.463187     -4.304186      8.623743
  H      -2.544714     -3.207508     -0.748031
  H      -1.510541     -1.016856     -1.133449
  H      -1.113904      0.560752      0.757159
  H      -1.607363     -0.139683      3.084704
  H      -2.611961     -2.170040      5.779452
  H      -6.776748     -7.734479      5.469787
  H      -9.017879     -6.879805      6.055166
  H      -9.650642     -4.525517      5.548133
  H      -8.022650     -2.990483      4.472905
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  H       0.856171     -5.587150      5.406571
  H       1.425698     -4.943373      7.722355
  H      -0.301222     -3.946776      9.217753
  H      -2.628120     -3.651229      8.425531
  H      -5.398009     -3.571774      6.287903
  N      -7.391781     -5.779968      1.458599
  N      -8.450533     -5.592262      1.218456
73
Coordinates from ORCA-job orca E -7352.688548318873
  N      -3.229475     -4.137861      1.785595
  C      -3.731057     -5.033663      0.751687
  C      -3.885832     -6.428798      1.360490
  N      -2.998528     -6.513585      2.545870
  C      -3.240011     -7.749531      3.333416
  C      -4.435671     -7.551578      4.272241
  N      -4.861470     -6.163636      4.189004
  Mo     -3.537115     -4.680839      3.752595
  N      -1.676426     -5.292999      4.340159
  C      -0.771889     -5.988944      3.428909
  C      -1.558060     -6.409625      2.188738
  H      -0.340069     -6.861981      3.947059
  H       0.069483     -5.341668      3.131217
  H      -1.205939     -7.376583      1.794473
  H      -1.452974     -5.663134      1.397146
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  H      -4.141838     -7.799273      5.305819
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  H      -3.031555     -5.067294     -0.097686
  H      -4.697792     -4.664951      0.371314
  H      -3.630642     -7.220274      0.635675
  H      -4.906773     -6.590347      1.723060
  C      -2.598947     -2.997941      1.425430
  C      -2.298109     -2.586935      0.099582
  C      -1.730987     -1.348687     -0.118606
  C      -1.481406     -0.455591      0.952299
  C      -1.741686     -0.840312      2.248431
  C      -2.239954     -2.138430      2.511072
  N      -2.537558     -2.626134      3.755242
  C      -2.019936     -2.089835      4.864359
  C      -0.716003     -1.526703      5.096207
  O      -0.373068     -0.872113      6.051210
  Cl      0.603784     -2.096716      3.916004
  C      -6.114663     -5.837995      4.616186
  C      -7.055980     -6.700758      5.218042
  C      -8.312757     -6.212828      5.546876
  C      -8.660157     -4.875053      5.278720
  C      -7.742763     -4.006773      4.702650
  C      -6.454706     -4.474153      4.383227
  N      -5.455293     -3.744388      3.767137
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  C      -5.386747     -1.694664      2.461869
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  C      -1.880278     -4.113754      7.783287
  C      -2.237991     -4.513647      6.477875
  N      -3.489523     -4.387084      5.920190
  C      -4.592154     -4.194579      6.693438
  C      -4.844975     -4.912861      7.900327
  O      -4.233864     -5.806095      8.445962
  Cl     -6.451283     -4.338568      8.638306
  H      -2.558891     -3.217953     -0.747928
  H      -1.522183     -1.029900     -1.141149
  H      -1.115718      0.550297      0.745460
  H      -1.602215     -0.145486      3.075710
  H      -2.606316     -2.170220      5.777417
  H      -6.795511     -7.733582      5.446565
  H      -9.038182     -6.874925      6.021233
  H      -9.660253     -4.516171      5.524575
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  H      -6.069238     -1.835313      4.501654
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  H       1.431134     -4.925311      7.719259
  H      -0.300056     -3.944340      9.219163
  H      -2.630035     -3.660132      8.429830
  H      -5.401549     -3.590032      6.298953
  N      -7.388323     -5.808774      1.447530
  N      -8.448823     -5.627021      1.205816
73
Coordinates from ORCA-job orca E -7352.688782016554
  N      -3.236718     -4.142250      1.788788
  C      -3.743194     -5.041403      0.760044
  C      -3.890024     -6.436290      1.374420
  N      -2.996957     -6.510565      2.555823
  C      -3.228185     -7.739175      3.355228
  C      -4.457622     -7.553853      4.251529
  N      -4.867954     -6.160021      4.185389
  Mo     -3.537841     -4.679829      3.758138
  N      -1.673452     -5.287301      4.340619
  C      -0.767433     -5.974709      3.424542
  C      -1.558457     -6.406728      2.190511
  H      -0.321802     -6.841494      3.941343
  H       0.064431     -5.318722      3.119304
  H      -1.206572     -7.376073      1.802099
  H      -1.458115     -5.666008      1.392883
  H      -5.288941     -8.198791      3.925797
  H      -4.204613     -7.832718      5.287597
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  H      -3.047646     -5.075754     -0.092858
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  H      -3.627220     -7.229377      0.654159
  H      -4.909761     -6.600450      1.738064
  C      -2.605018     -3.004712      1.424868
  C      -2.308365     -2.596481      0.097276
  C      -1.739054     -1.360000     -0.125301
  C      -1.483169     -0.465781      0.943112
  C      -1.739607     -0.847874      2.240824
  C      -2.240169     -2.144136      2.507819
  N      -2.533594     -2.628673      3.754017
  C      -2.014191     -2.089451      4.861100
  C      -0.710688     -1.525354      5.090031
  O      -0.364245     -0.875103      6.046779
  Cl      0.606462     -2.089601      3.902859
  C      -6.122832     -5.833538      4.608133
  C      -7.070470     -6.697991      5.196867
  C      -8.327736     -6.207807      5.521641
  C      -8.668648     -4.866696      5.262215
  C      -7.744671     -3.996705      4.698611
  C      -6.457048     -4.467218      4.382687
  N      -5.451561     -3.737113      3.777066
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  C       0.094774     -5.176846      6.065943
  C       0.410160     -4.809347      7.362197
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  C      -1.878597     -4.115136      7.786106
  C      -2.234968     -4.512188      6.479649
  N      -3.487142     -4.390119      5.923565
  C      -4.589981     -4.207794      6.699520
  C      -4.834091     -4.933077      7.903829
  O      -4.210948     -5.818875      8.448146
  Cl     -6.442575     -4.373586      8.649153
  H      -2.573890     -3.228282     -0.748234
  H      -1.533436     -1.043490     -1.149210
  H      -1.115769      0.538866      0.733266
  H      -1.595056     -0.152099      3.066417
  H      -2.599775     -2.168327      5.774793
  H      -6.815029     -7.733419      5.419354
  H      -9.058621     -6.870889      5.986129
  H      -9.669406     -4.506686      5.503746
  H      -8.014181     -2.965009      4.473079
  H      -6.054040     -1.831314      4.530012
  H       0.871243     -5.545889      5.397443
  H       1.437342     -4.906975      7.715733
  H      -0.297581     -3.941665      9.220749
  H      -2.630712     -3.668589      8.434958
  H      -5.404650     -3.607764      6.309249
  N      -7.384603     -5.839476      1.438067
  N      -8.447039     -5.666884      1.195127
73
Coordinates from ORCA-job orca E -7352.688987040946
  N      -3.243980     -4.146717      1.792087
  C      -3.754955     -5.049251      0.768343
  C      -3.893556     -6.443964      1.387810
  N      -2.995529     -6.507881      2.565767
  C      -3.217766     -7.728741      3.377005
  C      -4.479412     -7.556084      4.229222
  N      -4.874423     -6.156659      4.181741
  Mo     -3.538708     -4.678979      3.763781
  N      -1.670540     -5.281608      4.341292
  C      -0.763206     -5.960834      3.420650
  C      -1.558853     -6.404395      2.192880
  H      -0.304093     -6.821228      3.936183
  H       0.059149     -5.296459      3.107903
  H      -1.207138     -7.376172      1.810591
  H      -1.463144     -5.669699      1.389116
  H      -5.305691     -8.181310      3.854415
  H      -4.268066     -7.867024      5.265204
  H      -3.294994     -8.602640      2.710636
  H      -2.334082     -7.874248      4.008606
  H      -3.063562     -5.083883     -0.088180
  H      -4.726552     -4.688157      0.394116
  H      -3.623226     -7.238228      0.671702
  H      -4.912062     -6.611197      1.752296
  C      -2.611001     -3.011582      1.424436
  C      -2.318511     -2.606069      0.095133
  C      -1.747082     -1.371335     -0.131753
  C      -1.484952     -0.476047      0.934188
  C      -1.737449     -0.855587      2.233457
  C      -2.240127     -2.150066      2.504751
  N      -2.529439     -2.631523      3.752938
  C      -2.008034     -2.089647      4.858027
  C      -0.704648     -1.525304      5.084115
  O      -0.354622     -0.878808      6.042155
  Cl      0.609718     -2.084609      3.890290
  C      -6.130942     -5.829227      4.599993
  C      -7.084893     -6.695394      5.175225
  C      -8.342514     -6.202990      5.496337
  C      -8.676914     -4.858520      5.246225
  C      -7.746504     -3.986871      4.695182
  C      -6.459346     -4.460381      4.382404
  N      -5.448045     -3.729918      3.787003
  C      -5.599738     -2.362215      3.714746
  C      -5.349717     -1.658369      2.520427
  O      -5.174129     -2.042145      1.380776
  Cl     -5.388340      0.184994      2.843238
  C      -1.225764     -5.006969      5.597179
  C       0.100950     -5.161576      6.062976
  C       0.415718     -4.795065      7.359720
  C      -0.570350     -4.260512      8.217564
  C      -1.876439     -4.115359      7.788757
  C      -2.231770     -4.510249      6.481536
  N      -3.484694     -4.392941      5.927152
  C      -4.587722     -4.220666      6.705603
  C      -4.823547     -4.952648      7.907343
  O      -4.189184     -5.831392      8.450282
  Cl     -6.434451     -4.407943      8.659065
  H      -2.588798     -3.238565     -0.748401
  H      -1.544698     -1.057017     -1.156994
  H      -1.115957      0.527394      0.721360
  H      -1.587954     -0.158881      3.057360
  H      -2.592774     -2.166841      5.772409
  H      -6.834501     -7.733509      5.390977
  H      -9.078801     -6.867103      5.950705
  H      -9.678194     -4.497305      5.483814
  H      -8.010269     -2.952404      4.475710
  H      -6.039371     -1.827942      4.558755
  H       0.878680     -5.524596      5.392690
  H       1.443926     -4.887355      7.711758
  H      -0.294362     -3.937032      9.221755
  H      -2.630692     -3.675516      8.439811
  H      -5.407543     -3.625337      6.319147
  N      -7.380566     -5.870418      1.428701
  N      -8.444839     -5.707681      1.184458
73
Coordinates from ORCA-job orca E -7352.689147915326
  N      -3.250813     -4.151255      1.795122
  C      -3.765973     -5.056947      0.776172
  C      -3.895134     -6.452084      1.399125
  N      -2.994310     -6.505738      2.575489
  C      -3.210522     -7.718533      3.398246
  C      -4.501068     -7.557892      4.205846
  N      -4.880167     -6.153073      4.180661
  Mo     -3.539166     -4.677754      3.769518
  N      -1.667513     -5.275427      4.342463
  C      -0.759071     -5.947489      3.417832
  C      -1.558992     -6.403422      2.196563
  H      -0.286501     -6.800982      3.932493
  H       0.053494     -5.274859      3.097260
  H      -1.207686     -7.378023      1.821322
  H      -1.467090     -5.675422      1.386269
  H      -5.320695     -8.160662      3.781568
  H      -4.332079     -7.903383      5.238468
  H      -3.246607     -8.607547      2.748270
  H      -2.343199     -7.829163      4.059210
  H      -3.079639     -5.090492     -0.084638
  H      -4.740757     -4.700149      0.406604
  H      -3.614878     -7.246231      0.686845
  H      -4.912791     -6.624136      1.762696
  C      -2.616610     -3.018554      1.423354
  C      -2.328513     -2.615990      0.092223
  C      -1.754816     -1.383150     -0.139268
  C      -1.485967     -0.486769      0.924008
  C      -1.734346     -0.863509      2.224914
  C      -2.239452     -2.156014      2.500745
  N      -2.525143     -2.633950      3.750901
  C      -2.001678     -2.088882      4.853763
  C      -0.698285     -1.524615      5.076668
  O      -0.344190     -0.881709      6.035677
  Cl      0.612974     -2.080437      3.876448
  C      -6.138339     -5.824855      4.593897
  C      -7.098550     -6.692994      5.154933
  C      -8.356641     -6.198737      5.472272
  C      -8.684845     -4.851071      5.231712
  C      -7.748270     -3.977733      4.693273
  C      -6.461412     -4.453856      4.383744
  N      -5.444754     -3.723036      3.798038
  C      -5.588169     -2.353548      3.740831
  C      -5.332049     -1.639022      2.553640
  O      -5.160243     -2.013326      1.410523
  Cl     -5.358513      0.200810      2.894962
  C      -1.221370     -4.998392      5.597174
  C       0.106943     -5.146160      6.060765
  C       0.421190     -4.780328      7.357855
  C      -0.566684     -4.253464      8.218379
  C      -1.874109     -4.114335      7.791703
  C      -2.228603     -4.507514      6.483868
  N      -3.482226     -4.394739      5.930933
  C      -4.585588     -4.232593      6.711598
  C      -4.814327     -4.972681      7.909546
  O      -4.170177     -5.845905      8.449949
  Cl     -6.428095     -4.443291      8.666856
  H      -2.603817     -3.249270     -0.749146
  H      -1.555828     -1.071205     -1.165909
  H      -1.115143      0.515325      0.708018
  H      -1.579613     -0.165792      3.046980
  H      -2.585701     -2.163567      5.768823
  H      -6.853103     -7.733861      5.363104
  H      -9.098288     -6.864101      5.915975
  H      -9.686708     -4.488872      5.465364
  H      -8.006645     -2.940674      4.479747
  H      -6.026528     -1.826467      4.590057
  H       0.885868     -5.503388      5.388803
  H       1.450378     -4.867356      7.708404
  H      -0.290987     -3.930912      9.222966
  H      -2.630240     -3.680515      8.444700
  H      -5.410075     -3.641447      6.328788
  N      -7.375711     -5.901193      1.416858
  N      -8.441424     -5.748096      1.170834
73
Coordinates from ORCA-job orca E -7352.689343918223
  N      -3.256330     -4.155940      1.796172
  C      -3.771520     -5.065587      0.780913
  C      -3.891787     -6.461121      1.406104
  N      -2.991982     -6.505126      2.584162
  C      -3.206736     -7.709306      3.418706
  C      -4.521789     -7.559485      4.181705
  N      -4.885280     -6.149737      4.183163
  Mo     -3.539563     -4.675707      3.774119
  N      -1.664705     -5.267774      4.344749
  C      -0.754527     -5.933408      3.417377
  C      -1.557239     -6.404104      2.202769
  H      -0.267469     -6.778663      3.931847
  H       0.046871     -5.251394      3.088597
  H      -1.205771     -7.382115      1.836850
  H      -1.467781     -5.684305      1.384890
  H      -5.332469     -8.138172      3.708211
  H      -4.396348     -7.940980      5.207762
  H      -3.204225     -8.611497      2.785977
  H      -2.358320     -7.785909      4.108651
  H      -3.088554     -5.096817     -0.082702
  H      -4.749342     -4.714384      0.414265
  H      -3.601002     -7.254467      0.697382
  H      -4.909665     -6.638717      1.766052
  C      -2.621730     -3.025096      1.420050
  C      -2.338440     -2.625148      0.087061
  C      -1.762746     -1.394040     -0.148754
  C      -1.486641     -0.497031      0.912080
  C      -1.730410     -0.871241      2.214584
  C      -2.238271     -2.161739      2.494552
  N      -2.520843     -2.636540      3.746205
  C      -1.993280     -2.089147      4.846716
  C      -0.688138     -1.529326      5.065258
  O      -0.325920     -0.892832      6.025595
  Cl      0.616585     -2.084911      3.855829
  C      -6.144822     -5.820933      4.591431
  C      -7.110866     -6.691530      5.137951
  C      -8.369204     -6.196020      5.452947
  C      -8.691695     -4.845203      5.223263
  C      -7.749786     -3.970091      4.696646
  C      -6.463359     -4.448202      4.388904
  N      -5.442718     -3.716940      3.810526
  C      -5.579293     -2.346385      3.769428
  C      -5.316890     -1.618724      2.590975
  O      -5.147530     -1.981021      1.443805
  Cl     -5.333623      0.216104      2.954104
  C      -1.218138     -4.988106      5.598495
  C       0.111555     -5.129097      6.060652
  C       0.424802     -4.763259      7.357878
  C      -0.565191     -4.243148      8.220267
  C      -1.873598     -4.109994      7.794999
  C      -2.226932     -4.502461      6.486662
  N      -3.481038     -4.394700      5.934379
  C      -4.585186     -4.243496      6.716585
  C      -4.808783     -4.994598      7.908419
  O      -4.157033     -5.865176      8.443857
  Cl     -6.426288     -4.481981      8.670182
  H      -2.618829     -3.259099     -0.752142
  H      -1.567518     -1.084061     -1.176720
  H      -1.113830      0.503693      0.693155
  H      -1.570023     -0.172867      3.035001
  H      -2.575893     -2.160236      5.763069
  H      -6.870268     -7.735501      5.336037
  H      -9.115811     -6.863170      5.885530
  H      -9.693861     -4.482215      5.454399
  H      -8.003727     -2.930662      4.489404
  H      -6.017958     -1.827861      4.623815
  H       0.891957     -5.480789      5.387530
  H       1.454785     -4.844941      7.707376
  H      -0.290163     -3.920788      9.225104
  H      -2.631645     -3.681245      8.449170
  H      -5.413673     -3.655771      6.337178
  N      -7.375675     -5.923105      1.401760
  N      -8.442467     -5.777057      1.154731
73
Coordinates from ORCA-job orca E -7352.689603746042
  N      -3.259958     -4.161087      1.794560
  C      -3.768862     -5.076164      0.781175
  C      -3.883884     -6.470816      1.409265
  N      -2.987827     -6.506649      2.591143
  C      -3.203727     -7.701598      3.438340
  C      -4.541058     -7.562259      4.155611
  N      -4.890636     -6.148299      4.185602
  Mo     -3.540445     -4.673960      3.776613
  N      -1.662636     -5.259966      4.347893
  C      -0.749853     -5.919163      3.418976
  C      -1.553238     -6.405727      2.210668
  H      -0.248326     -6.755670      3.933491
  H       0.039609     -5.226902      3.082727
  H      -1.200192     -7.387171      1.855683
  H      -1.465654     -5.695084      1.384600
  H      -5.339247     -8.117639      3.634088
  H      -4.460781     -7.978352      5.172784
  H      -3.162085     -8.615658      2.824230
  H      -2.377353     -7.742204      4.157663
  H      -3.085157     -5.105443     -0.081795
  H      -4.748542     -4.731864      0.412659
  H      -3.588227     -7.264561      0.703275
  H      -4.902437     -6.651052      1.765701
  C      -2.626028     -3.031048      1.414535
  C      -2.347337     -2.632652      0.079994
  C      -1.771027     -1.402376     -0.158826
  C      -1.488901     -0.505255      0.900329
  C      -1.728029     -0.877861      2.204119
  C      -2.237497     -2.167101      2.486867
  N      -2.517754     -2.640103      3.739190
  C      -1.985321     -2.091278      4.837839
  C      -0.677267     -1.539019      5.051791
  O      -0.304855     -0.910290      6.013461
  Cl      0.619394     -2.097334      3.832533
  C      -6.150767     -5.818434      4.590241
  C      -7.121904     -6.691555      5.123451
  C      -8.379523     -6.195052      5.439713
  C      -8.696538     -4.840877      5.223002
  C      -7.750562     -3.964174      4.706285
  C      -6.465129     -4.443740      4.396887
  N      -5.442268     -3.711785      3.822710
  C      -5.573495     -2.341018      3.795678
  C      -5.305794     -1.600745      2.625686
  O      -5.138949     -1.951054      1.474476
  Cl     -5.313920      0.228650      3.009612
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  C       0.114470     -5.113058      6.062105
  C       0.426658     -4.746844      7.359225
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  C      -1.874462     -4.104304      7.798426
  C      -2.226650     -4.497014      6.489812
  N      -3.481008     -4.393561      5.937499
  C      -4.585701     -4.251482      6.720764
  C      -4.806808     -5.013816      7.905766
  O      -4.151963     -5.886491      8.433709
  Cl     -6.428207     -4.516159      8.669816
  H      -2.631789     -3.266978     -0.757541
  H      -1.579577     -1.093226     -1.187753
  H      -1.114953      0.494576      0.679241
  H      -1.562932     -0.179359      3.023501
  H      -2.566178     -2.158182      5.755753
  H      -6.885969     -7.738968      5.308512
  H      -9.130211     -6.864254      5.861965
  H      -9.698078     -4.476770      5.455075
  H      -8.001216     -2.922420      4.506769
  H      -6.012796     -1.829913      4.654292
  H       0.896302     -5.459706      5.388063
  H       1.457300     -4.823563      7.707869
  H      -0.291154     -3.909438      9.227792
  H      -2.634188     -3.679334      8.453132
  H      -5.416514     -3.664969      6.344618
  N      -7.378328     -5.929644      1.390963
  N      -8.445805     -5.785805      1.146012
73
Coordinates from ORCA-job orca E -7352.689853368608
  N      -3.261439     -4.166716      1.791011
  C      -3.760492     -5.087687      0.777988
  C      -3.873576     -6.480733      1.409125
  N      -2.983127     -6.509911      2.596083
  C      -3.201841     -7.695251      3.456409
  C      -4.560301     -7.566349      4.126054
  N      -4.896357     -6.149005      4.186053
  Mo     -3.541404     -4.673345      3.777022
  N      -1.661630     -5.253383      4.350985
  C      -0.745855     -5.906798      3.421546
  C      -1.548237     -6.408722      2.218936
  H      -0.231522     -6.735040      3.936435
  H       0.032333     -5.204830      3.079104
  H      -1.192858     -7.393545      1.875745
  H      -1.461765     -5.707702      1.384616
  H      -5.342940     -8.097788      3.557184
  H      -4.526399     -8.016523      5.131561
  H      -3.119716     -8.620075      2.862797
  H      -2.401146     -7.697193      4.205303
  H      -3.073474     -5.115384     -0.082145
  H      -4.741127     -4.750510      0.404870
  H      -3.577985     -7.275752      0.704843
  H      -4.892868     -6.660421      1.762858
  C      -2.628556     -3.036839      1.407827
  C      -2.352942     -2.639567      0.072192
  C      -1.777333     -1.409264     -0.168406
  C      -1.492023     -0.511756      0.889574
  C      -1.727760     -0.883139      2.194298
  C      -2.237062     -2.172070      2.478720
  N      -2.516484     -2.644125      3.731140
  C      -1.980679     -2.094200      4.828891
  C      -0.669728     -1.549914      5.040117
  O      -0.289982     -0.924095      6.000916
  Cl      0.621634     -2.114063      3.815548
  C      -6.155842     -5.817187      4.589578
  C      -7.131151     -6.692472      5.111854
  C      -8.386746     -6.194910      5.433780
  C      -8.698384     -4.837233      5.231680
  C      -7.749701     -3.959438      4.722084
  C      -6.466086     -4.440253      4.406991
  N      -5.442996     -3.707511      3.833634
  C      -5.570044     -2.337234      3.818148
  C      -5.299064     -1.585971      2.655419
  O      -5.134420     -1.925445      1.500620
  Cl     -5.296617      0.238196      3.057986
  C      -1.215908     -4.969640      5.603305
  C       0.116104     -5.099067      6.063593
  C       0.427690     -4.731542      7.360200
  C      -0.565999     -4.220616      8.224598
  C      -1.875661     -4.097612      7.800934
  C      -2.227186     -4.491910      6.492547
  N      -3.481873     -4.392295      5.939966
  C      -4.586957     -4.257484      6.723827
  C      -4.807853     -5.030392      7.901921
  O      -4.153237     -5.908229      8.421200
  Cl     -6.433439     -4.545835      8.665787
  H      -2.639473     -3.274399     -0.764228
  H      -1.588678     -1.100363     -1.197925
  H      -1.118162      0.487760      0.666897
  H      -1.560385     -0.184353      3.012964
  H      -2.560759     -2.156658      5.747678
  H      -6.899482     -7.743359      5.282033
  H      -9.140410     -6.865983      5.847702
  H      -9.698209     -4.471495      5.468501
  H      -7.997919     -2.915354      4.531713
  H      -6.009543     -1.831831      4.680149
  H       0.899025     -5.441622      5.388751
  H       1.458983     -4.803634      7.707846
  H      -0.292277     -3.896680      9.229254
  H      -2.636515     -3.674919      8.455763
  H      -5.418878     -3.670648      6.350531
  N      -7.377687     -5.924777      1.385747
  N      -8.445199     -5.778309      1.145422
73
Coordinates from ORCA-job orca E -7352.690036283439
  N      -3.256563     -4.169605      1.784693
  C      -3.743478     -5.093767      0.768362
  C      -3.860666     -6.485733      1.398234
  N      -2.979359     -6.516216      2.592528
  C      -3.206411     -7.697922      3.457975
  C      -4.569833     -7.572067      4.109563
  N      -4.898589     -6.153674      4.186920
  Mo     -3.541398     -4.674545      3.772399
  N      -1.663313     -5.252073      4.352604
  C      -0.744964     -5.905685      3.426170
  C      -1.542764     -6.414486      2.224559
  H      -0.228152     -6.731109      3.942905
  H       0.029644     -5.199830      3.083590
  H      -1.185051     -7.401350      1.889440
  H      -1.453829     -5.719242      1.385772
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  H      -4.556292     -8.037579      5.109157
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  H      -3.051353     -5.119353     -0.087186
  H      -4.723847     -4.760591      0.390034
  H      -3.572762     -7.281101      0.691408
  H      -4.881268     -6.661582      1.749934
  C      -2.624959     -3.038480      1.401005
  C      -2.347104     -2.641385      0.065692
  C      -1.773511     -1.409792     -0.173409
  C      -1.491794     -0.511622      0.884982
  C      -1.729261     -0.882643      2.189481
  C      -2.236625     -2.172682      2.472444
  N      -2.520039     -2.645398      3.723501
  C      -1.984714     -2.095450      4.822338
  C      -0.672115     -1.555897      5.034154
  O      -0.291525     -0.926250      5.992119
  Cl      0.619731     -2.130494      3.813941
  C      -6.155711     -5.819905      4.593339
  C      -7.130856     -6.696612      5.114833
  C      -8.383817     -6.200082      5.446473
  C      -8.694606     -4.840906      5.253006
  C      -7.747980     -3.962984      4.740972
  C      -6.465959     -4.442537      4.416620
  N      -5.447468     -3.708342      3.836948
  C      -5.576958     -2.339909      3.824607
  C      -5.304460     -1.581753      2.666547
  O      -5.136107     -1.913802      1.509919
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  C      -1.218326     -4.967977      5.605125
  C       0.113883     -5.097143      6.065247
  C       0.426307     -4.726702      7.360588
  C      -0.567034     -4.212788      8.223862
  C      -1.876703     -4.090295      7.800161
  C      -2.229171     -4.488644      6.493077
  N      -3.484045     -4.389127      5.939697
  C      -4.588755     -4.252183      6.723077
  C      -4.815741     -5.028628      7.897780
  O      -4.171284     -5.918630      8.408608
  Cl     -6.444194     -4.544942      8.655516
  H      -2.630513     -3.276856     -0.771247
  H      -1.583448     -1.100340     -1.202498
  H      -1.119238      0.488459      0.662672
  H      -1.565239     -0.183432      3.008445
  H      -2.565549     -2.154993      5.740830
  H      -6.899611     -7.749263      5.274306
  H      -9.136325     -6.872746      5.859935
  H      -9.691956     -4.474312      5.498671
  H      -7.998239     -2.918309      4.556349
  H      -6.020156     -1.836567      4.686027
  H       0.896559     -5.440473      5.390519
  H       1.457839     -4.797964      7.707582
  H      -0.292974     -3.886000      9.227464
  H      -2.636677     -3.664380      8.453805
  H      -5.417325     -3.659979      6.350571
  N      -7.374033     -5.895933      1.394305
  N      -8.440050     -5.736823      1.161614
73
Coordinates from ORCA-job orca E -7352.690097614619
  N      -3.252255     -4.169316      1.782494
  C      -3.735780     -5.092913      0.763628
  C      -3.858700     -6.484167      1.392811
  N      -2.979091     -6.519168      2.587563
  C      -3.208439     -7.703339      3.449653
  C      -4.569287     -7.576068      4.108433
  N      -4.897715     -6.157788      4.183651
  Mo     -3.541065     -4.677017      3.768573
  N      -1.665186     -5.254923      4.351362
  C      -0.746235     -5.910756      3.427007
  C      -1.541637     -6.416969      2.223247
  H      -0.233995     -6.738316      3.944912
  H       0.031613     -5.207019      3.087546
  H      -1.182973     -7.403392      1.887625
  H      -1.451319     -5.720928      1.385280
  H      -5.347814     -8.101102      3.528475
  H      -4.548610     -8.037479      5.110010
  H      -3.117226     -8.626643      2.855345
  H      -2.418089     -7.695155      4.209191
  H      -3.040456     -5.119484     -0.089094
  H      -4.714578     -4.758438      0.382013
  H      -3.579357     -7.280465      0.683513
  H      -4.879593     -6.655045      1.746137
  C      -2.620733     -3.037143      1.400944
  C      -2.338714     -2.639313      0.066757
  C      -1.766697     -1.406467     -0.169724
  C      -1.490950     -0.507849      0.889857
  C      -1.732037     -0.879670      2.193499
  C      -2.236800     -2.171254      2.474116
  N      -2.523205     -2.645674      3.724085
  C      -1.990173     -2.097707      4.824912
  C      -0.677760     -1.557990      5.040001
  O      -0.301640     -0.923012      5.996182
  Cl      0.618046     -2.134595      3.825615
  C      -6.152900     -5.822663      4.594666
  C      -7.125854     -6.699167      5.121328
  C      -8.377533     -6.203509      5.458126
  C      -8.690049     -4.844687      5.264279
  C      -7.746159     -3.967143      4.747169
  C      -6.464586     -4.445377      4.418411
  N      -5.449889     -3.710594      3.832706
  C      -5.582906     -2.343228      3.814373
  C      -5.312404     -1.588344      2.653732
  O      -5.141930     -1.923218      1.498202
  Cl     -5.310928      0.233918      3.061745
  C      -1.220334     -4.970457      5.604147
  C       0.111656     -5.100483      6.064393
  C       0.424930     -4.727369      7.358821
  C      -0.567564     -4.209856      8.220791
  C      -1.877192     -4.086910      7.796906
  C      -2.230577     -4.488647      6.491053
  N      -3.485687     -4.388867      5.937769
  C      -4.589986     -4.247187      6.720416
  C      -4.820316     -5.019137      7.897592
  O      -4.180960     -5.912338      8.409249
  Cl     -6.447562     -4.527947      8.652360
  H      -2.617732     -3.274945     -0.771514
  H      -1.573432     -1.096285     -1.197995
  H      -1.120060      0.493159      0.668976
  H      -1.573063     -0.180188      3.013197
  H      -2.572305     -2.158493      5.742462
  H      -6.892933     -7.751513      5.280364
  H      -9.127693     -6.876344      5.875545
  H      -9.686357     -4.478075      5.514041
  H      -7.999131     -2.923152      4.562395
  H      -6.027288     -1.836355      4.673117
  H       0.893783     -5.446222      5.390252
  H       1.456465     -4.799118      7.705672
  H      -0.293052     -3.880623      9.223461
  H      -2.636234     -3.657890      8.449549
  H      -5.416406     -3.652757      6.346584
  N      -7.373771     -5.875910      1.410585
  N      -8.439196     -5.707916      1.183105
73
Coordinates from ORCA-job orca E -7352.690149588969
  N      -3.248164     -4.169852      1.781605
  C      -3.730667     -5.092574      0.760886
  C      -3.857714     -6.483342      1.389415
  N      -2.979032     -6.522000      2.583504
  C      -3.209571     -7.707846      3.442772
  C      -4.572854     -7.581314      4.099532
  N      -4.896655     -6.162394      4.178830
  Mo     -3.540021     -4.680256      3.765483
  N      -1.666724     -5.257795      4.349498
  C      -0.747267     -5.915862      3.426920
  C      -1.540872     -6.419806      2.221533
  H      -0.239722     -6.745549      3.946136
  H       0.034038     -5.214712      3.090302
  H      -1.181447     -7.405858      1.885475
  H      -1.449913     -5.723293      1.383973
  H      -5.352845     -8.103776      3.519383
  H      -4.551183     -8.045624      5.099912
  H      -3.119868     -8.628150      2.843388
  H      -2.419048     -7.705649      4.201980
  H      -3.034051     -5.119977     -0.090578
  H      -4.708639     -4.756544      0.378229
  H      -3.586228     -7.280007      0.677320
  H      -4.878650     -6.650405      1.744884
  C      -2.615957     -3.037315      1.401576
  C      -2.328958     -2.640021      0.068396
  C      -1.758456     -1.406101     -0.166381
  C      -1.489643     -0.505914      0.893591
  C      -1.735214     -0.877428      2.196565
  C      -2.237072     -2.170390      2.475794
  N      -2.527240     -2.645048      3.725093
  C      -1.999052     -2.096281      4.827410
  C      -0.688852     -1.551086      5.045936
  O      -0.320415     -0.909203      6.000431
  Cl      0.614078     -2.128032      3.840548
  C      -6.149924     -5.825339      4.594282
  C      -7.121213     -6.702229      5.124120
  C      -8.372040     -6.208031      5.465187
  C      -8.686242     -4.849400      5.271790
  C      -7.744660     -3.971662      4.751437
  C      -6.463094     -4.448066      4.419019
  N      -5.452059     -3.711852      3.828750
  C      -5.588325     -2.345710      3.805127
  C      -5.316614     -1.593725      2.642815
  O      -5.142587     -1.931027      1.488571
  Cl     -5.319211      0.230052      3.046073
  C      -1.221517     -4.973845      5.602749
  C       0.110248     -5.105654      6.062621
  C       0.424880     -4.731436      7.356552
  C      -0.566298     -4.211012      8.217974
  C      -1.875986     -4.086689      7.794300
  C      -2.230727     -4.490133      6.489316
  N      -3.486059     -4.387739      5.936679
  C      -4.588931     -4.239539      6.719542
  C      -4.821651     -5.004913      7.900728
  O      -4.188343     -5.902313      8.412700
  Cl     -6.446351     -4.503985      8.653700
  H      -2.602975     -3.276498     -0.770881
  H      -1.561171     -1.096315     -1.194010
  H      -1.120500      0.495874      0.673368
  H      -1.582070     -0.176888      3.016453
  H      -2.583492     -2.157411      5.743270
  H      -6.886311     -7.754297      5.282152
  H      -9.120127     -6.881488      5.885303
  H      -9.681763     -4.483012      5.524938
  H      -8.000372     -2.928211      4.567453
  H      -6.035876     -1.835336      4.660182
  H       0.891481     -5.453663      5.388601
  H       1.456455     -4.804602      7.702957
  H      -0.291029     -3.880567      9.220032
  H      -2.633820     -3.655087      8.446623
  H      -5.412620     -3.641386      6.345716
  N      -7.367840     -5.858987      1.438578
  N      -8.432967     -5.680873      1.219544
73
Coordinates from ORCA-job orca E -7352.690189835757
  N      -3.244264     -4.169765      1.780700
  C      -3.725672     -5.091000      0.758031
  C      -3.855597     -6.482012      1.384775
  N      -2.978572     -6.523567      2.579221
  C      -3.211565     -7.711675      3.434269
  C      -4.573849     -7.584130      4.093376
  N      -4.894380     -6.164956      4.175769
  Mo     -3.538417     -4.682427      3.762377
  N      -1.668012     -5.260290      4.348168
  C      -0.747973     -5.922290      3.428324
  C      -1.539405     -6.422260      2.220037
  H      -0.246582     -6.754529      3.949516
  H       0.038193     -5.225133      3.094951
  H      -1.180174     -7.407758      1.882220
  H      -1.445900     -5.723756      1.384401
  H      -5.356538     -8.104272      3.515171
  H      -4.547661     -8.049904      5.092990
  H      -3.127620     -8.629152      2.829354
  H      -2.419342     -7.718523      4.191336
  H      -3.026591     -5.118607     -0.091444
  H      -4.702015     -4.753162      0.372999
  H      -3.584436     -7.277921      0.671537
  H      -4.877895     -6.648828      1.738083
  C      -2.612854     -3.036215      1.402227
  C      -2.323117     -2.638735      0.069808
  C      -1.754860     -1.403517     -0.163877
  C      -1.491512     -0.502211      0.896428
  C      -1.739531     -0.874229      2.198847
  C      -2.238244     -2.168584      2.477101
  N      -2.529748     -2.644033      3.725999
  C      -2.003533     -2.095850      4.829118
  C      -0.694038     -1.548803      5.049894
  O      -0.330512     -0.900522      6.001922
  Cl      0.612647     -2.125886      3.849612
  C      -6.145790     -5.826664      4.596628
  C      -7.114818     -6.703249      5.131328
  C      -8.364645     -6.209616      5.476575
  C      -8.680431     -4.851467      5.282210
  C      -7.741215     -3.974097      4.757201
  C      -6.460369     -4.449939      4.420807
  N      -5.453075     -3.713643      3.824423
  C      -5.592034     -2.348449      3.795721
  C      -5.321909     -1.600664      2.630122
  O      -5.145940     -1.942232      1.477568
  Cl     -5.322654      0.224884      3.027307
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  C       0.107143     -5.110219      6.063445
  C       0.421444     -4.735380      7.357430
  C      -0.569402     -4.212134      8.217232
  C      -1.878516     -4.085793      7.792129
  C      -2.233049     -4.490040      6.487270
  N      -3.488151     -4.386187      5.934168
  C      -4.591116     -4.235094      6.716081
  C      -4.825323     -4.996678      7.899554
  O      -4.193021     -5.893193      8.414446
  Cl     -6.447705     -4.489172      8.652494
  H      -2.593252     -3.275885     -0.770223
  H      -1.555305     -1.093752     -1.191075
  H      -1.124633      0.500537      0.676825
  H      -1.590936     -0.172972      3.018939
  H      -2.589178     -2.157385      5.744099
  H      -6.878088     -7.754732      5.290507
  H      -9.110528     -6.882930      5.900816
  H      -9.675198     -4.485096      5.538319
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  H      -6.040738     -1.834734      4.648168
  H       0.888279     -5.460930      5.390708
  H       1.452521     -4.810580      7.704884
  H      -0.294558     -3.881166      9.219238
  H      -2.635989     -3.652072      8.443438
  H      -5.413802     -3.636036      6.341342
  N      -7.363271     -5.845349      1.458978
  N      -8.428260     -5.658404      1.246346
73
Coordinates from ORCA-job orca E -7352.690251588434
  N      -3.239825     -4.170298      1.780472
  C      -3.719320     -5.089480      0.754905
  C      -3.851113     -6.481415      1.378157
  N      -2.977238     -6.526011      2.574171
  C      -3.214002     -7.716636      3.423875
  C      -4.576511     -7.588495      4.081549
  N      -4.891219     -6.168602      4.172907
  Mo     -3.536079     -4.685869      3.759124
  N      -1.669666     -5.264141      4.347176
  C      -0.748861     -5.932474      3.431804
  C      -1.536911     -6.425742      2.218868
  H      -0.257025     -6.768563      3.956005
  H       0.044818     -5.241666      3.103302
  H      -1.178157     -7.410179      1.877595
  H      -1.439640     -5.723456      1.386715
  H      -5.361114     -8.101390      3.499914
  H      -4.549275     -8.060827      5.077987
  H      -3.134215     -8.631397      2.813837
  H      -2.422261     -7.733052      4.181104
  H      -3.016878     -5.116256     -0.091904
  H      -4.693600     -4.749601      0.366703
  H      -3.575853     -7.274951      0.663559
  H      -4.875674     -6.651667      1.725282
  C      -2.610400     -3.034807      1.403601
  C      -2.318771     -2.636392      0.071992
  C      -1.753218     -1.399597     -0.160474
  C      -1.494795     -0.497665      0.900419
  C      -1.744798     -0.870846      2.202174
  C      -2.240695     -2.166515      2.479073
  N      -2.533079     -2.642936      3.727532
  C      -2.007781     -2.095141      4.830653
  C      -0.699323     -1.544424      5.051118
  O      -0.338472     -0.894382      6.002947
  Cl      0.608599     -2.120659      3.853336
  C      -6.141117     -5.829197      4.598702
  C      -7.107743     -6.706076      5.137373
  C      -8.357433     -6.214047      5.485072
  C      -8.675638     -4.856723      5.288949
  C      -7.738873     -3.979112      4.760234
  C      -6.458036     -4.453536      4.421020
  N      -5.454588     -3.716262      3.819198
  C      -5.596788     -2.352305      3.785348
  C      -5.325548     -1.608962      2.616772
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  Cl     -5.334050      0.218796      3.005894
  C      -1.226462     -4.979316      5.602095
  C       0.103279     -5.116618      6.065041
  C       0.417541     -4.740860      7.358969
  C      -0.572566     -4.213425      8.216671
  C      -1.880837     -4.083937      7.789678
  C      -2.235397     -4.489141      6.485043
  N      -3.490178     -4.382418      5.931733
  C      -4.591774     -4.225041      6.713882
  C      -4.826898     -4.980127      7.901512
  O      -4.197894     -5.878033      8.418184
  Cl     -6.443601     -4.460256      8.657388
  H      -2.585054     -3.273811     -0.769029
  H      -1.551833     -1.089536     -1.187220
  H      -1.130189      0.506109      0.681748
  H      -1.600089     -0.169435      3.022862
  H      -2.593085     -2.157790      5.745762
  H      -6.868468     -7.756737      5.298177
  H      -9.100997     -6.887713      5.912786
  H      -9.670173     -4.490988      5.546843
  H      -7.998934     -2.937034      4.574986
  H      -6.048879     -1.835023      4.633823
  H       0.884069     -5.471323      5.394002
  H       1.447963     -4.819164      7.707690
  H      -0.298115     -3.881898      9.218611
  H      -2.637763     -3.647283      8.439695
  H      -5.411950     -3.622067      6.340189
  N      -7.356646     -5.826336      1.496416
  N      -8.421689     -5.625073      1.295841
73
Coordinates from ORCA-job orca E -7352.690316782147
  N      -3.235849     -4.171943      1.778970
  C      -3.709857     -5.090164      0.749836
  C      -3.843045     -6.483029      1.369993
  N      -2.974143     -6.528236      2.569762
  C      -3.214600     -7.719592      3.416695
  C      -4.579990     -7.591936      4.066307
  N      -4.888280     -6.171158      4.170759
  Mo     -3.533533     -4.689191      3.755617
  N      -1.670613     -5.267747      4.347132
  C      -0.748659     -5.942542      3.437133
  C      -1.532735     -6.428712      2.218949
  H      -0.266343     -6.782123      3.964585
  H       0.052369     -5.257973      3.113535
  H      -1.174402     -7.411926      1.873775
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  H      -3.000900     -5.115659     -0.091794
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  H      -3.557371     -7.274001      0.656411
  H      -4.870695     -6.658986      1.705548
  C      -2.609908     -3.033723      1.403319
  C      -2.319543     -2.633291      0.072112
  C      -1.757416     -1.394693     -0.159539
  C      -1.501304     -0.493040      0.902113
  C      -1.750584     -0.868225      2.203411
  C      -2.243488     -2.165259      2.479144
  N      -2.534838     -2.643012      3.727309
  C      -2.009650     -2.094498      4.829892
  C      -0.701331     -1.542913      5.049556
  O      -0.340910     -0.891772      6.000846
  Cl      0.605910     -2.118570      3.851598
  C      -6.136309     -5.830800      4.602610
  C      -7.100730     -6.707542      5.145100
  C      -8.349191     -6.215522      5.497381
  C      -8.668147     -4.858332      5.301782
  C      -7.733454     -3.980849      4.769138
  C      -6.453979     -4.455523      4.424839
  N      -5.454427     -3.718850      3.815327
  C      -5.597935     -2.355689      3.777076
  C      -5.328719     -1.617704      2.604150
  O      -5.150493     -1.969985      1.455569
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  C       0.098401     -5.121179      6.069144
  C       0.411020     -4.744289      7.363235
  C      -0.579690     -4.213602      8.218036
  C      -1.886728     -4.081984      7.787970
  C      -2.239786     -4.488064      6.483100
  N      -3.493724     -4.379244      5.928083
  C      -4.595465     -4.219161      6.709424
  C      -4.832620     -4.973572      7.897153
  O      -4.204288     -5.871159      8.415276
  Cl     -6.444661     -4.445398      8.656879
  H      -2.584090     -3.270405     -0.769659
  H      -1.557031     -1.083400     -1.186099
  H      -1.139228      0.511861      0.684417
  H      -1.607452     -0.167446      3.024971
  H      -2.595137     -2.155990      5.744920
  H      -6.860640     -7.758063      5.305656
  H      -9.091005     -6.889060      5.928309
  H      -9.661851     -4.492506      5.562755
  H      -7.994624     -2.939096      4.583874
  H      -6.049763     -1.834690      4.623390
  H       0.879857     -5.478973      5.400537
  H       1.440546     -4.824561      7.714145
  H      -0.306781     -3.881359      9.220168
  H      -2.644096     -3.642913      8.435858
  H      -5.414014     -3.613442      6.336512
  N      -7.354940     -5.803189      1.533560
  N      -8.419519     -5.584955      1.346433
73
Coordinates from ORCA-job orca E -7352.690363661178
  N      -3.234062     -4.172750      1.777952
  C      -3.703131     -5.090717      0.746050
  C      -3.835798     -6.484922      1.363445
  N      -2.971974     -6.529569      2.567661
  C      -3.214495     -7.721248      3.413647
  C      -4.579964     -7.593196      4.061591
  N      -4.886205     -6.172156      4.171866
  Mo     -3.532278     -4.691236      3.753998
  N      -1.670680     -5.270488      4.348183
  C      -0.748573     -5.950649      3.442464
  C      -1.529868     -6.429940      2.220203
  H      -0.274129     -6.793444      3.971952
  H       0.058510     -5.271366      3.122670
  H      -1.171800     -7.411748      1.870625
  H      -1.425138     -5.718590      1.396641
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  H      -3.129127     -8.637707      2.807012
  H      -2.429670     -7.737176      4.178560
  H      -2.989931     -5.114015     -0.092172
  H      -4.672218     -4.750337      0.346168
  H      -3.539239     -7.273435      0.651508
  H      -4.865406     -6.667411      1.688004
  C      -2.611615     -3.031999      1.403108
  C      -2.323998     -2.629009      0.072071
  C      -1.763846     -1.389351     -0.158658
  C      -1.506601     -0.489246      0.904080
  C      -1.753908     -0.866538      2.205067
  C      -2.246238     -2.164131      2.479505
  N      -2.535056     -2.643780      3.727435
  C      -2.006959     -2.096107      4.829096
  C      -0.697683     -1.545743      5.045122
  O      -0.332030     -0.901137      5.998913
  Cl      0.603629     -2.119715      3.840280
  C      -6.134067     -5.832137      4.604562
  C      -7.097709     -6.708857      5.148082
  C      -8.346240     -6.216820      5.500337
  C      -8.665622     -4.859920      5.303816
  C      -7.731558     -3.982456      4.769977
  C      -6.452310     -4.457243      4.425116
  N      -5.453823     -3.721436      3.812756
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  C      -5.330681     -1.623614      2.596472
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  C       0.407098     -4.744821      7.366701
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  C      -1.890494     -4.079432      7.787150
  C      -2.242212     -4.486486      6.482198
  N      -3.495490     -4.377158      5.925817
  C      -4.596847     -4.215108      6.707516
  C      -4.834516     -4.970346      7.894535
  O      -4.207085     -5.869202      8.411500
  Cl     -6.443711     -4.438225      8.657864
  H      -2.589121     -3.265103     -0.770260
  H      -1.565809     -1.076234     -1.185106
  H      -1.145354      0.516212      0.687541
  H      -1.609434     -0.167211      3.027651
  H      -2.590110     -2.158224      5.745666
  H      -6.857795     -7.759361      5.309007
  H      -9.087684     -6.890237      5.932074
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  H       0.877748     -5.483100      5.405899
  H       1.436033     -4.825827      7.719155
  H      -0.312635     -3.878959      9.221604
  H      -2.648538     -3.639044      8.433423
  H      -5.413996     -3.606524      6.336260
  N      -7.359760     -5.784333      1.562207
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73
Coordinates from ORCA-job orca E -7352.690389315434
  N      -3.234705     -4.173193      1.776881
  C      -3.701178     -5.092266      0.744444
  C      -3.832207     -6.487139      1.361718
  N      -2.971118     -6.529311      2.568503
  C      -3.212429     -7.719760      3.416995
  C      -4.579566     -7.592495      4.061810
  N      -4.886466     -6.171425      4.172655
  Mo     -3.532767     -4.691494      3.754009
  N      -1.669570     -5.270290      4.349034
  C      -0.747749     -5.951154      3.444207
  C      -1.528903     -6.428759      2.221484
  H      -0.274549     -6.794640      3.973740
  H       0.060359     -5.272814      3.124785
  H      -1.170501     -7.409929      1.870258
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  H      -5.360738     -8.086143      3.458604
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  H      -3.120818     -8.638747      2.815525
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  H      -2.986988     -5.114113     -0.092954
  H      -4.670320     -4.753372      0.343493
  H      -3.530009     -7.275250      0.651786
  H      -4.861911     -6.673704      1.681029
  C      -2.613100     -3.031970      1.402105
  C      -2.327161     -2.627905      0.070966
  C      -1.766930     -1.388298     -0.159408
  C      -1.507587     -0.489303      0.903828
  C      -1.753502     -0.867238      2.204818
  C      -2.246597     -2.164704      2.478850
  N      -2.534108     -2.644929      3.726688
  C      -2.005264     -2.096775      4.828071
  C      -0.695239     -1.548504      5.043172
  O      -0.326547     -0.907573      5.998304
  Cl      0.603453     -2.122057      3.834795
  C      -6.134474     -5.831721      4.604713
  C      -7.098816     -6.708108      5.147275
  C      -8.346939     -6.214874      5.499636
  C      -8.664946     -4.857493      5.304320
  C      -7.730203     -3.980347      4.771001
  C      -6.451562     -4.456197      4.425866
  N      -5.452379     -3.721951      3.812856
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  C      -5.331046     -1.624952      2.594395
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  C       0.096094     -5.120628      6.074004
  C       0.406313     -4.741676      7.367965
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  C      -1.892383     -4.079080      7.787475
  C      -2.242849     -4.486466      6.482324
  N      -3.495755     -4.378614      5.924878
  C      -4.597794     -4.218981      6.706627
  C      -4.835588     -4.979198      7.890246
  O      -4.207049     -5.878472      8.405021
  Cl     -6.445925     -4.451218      8.654857
  H      -2.593904     -3.263329     -0.771352
  H      -1.570552     -1.074181     -1.185865
  H      -1.145791      0.516064      0.687729
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  H      -2.588330     -2.157885      5.744767
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  H      -9.089234     -6.887922      5.930485
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  H       1.435210     -4.821073      7.720880
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  H      -2.651418     -3.639647      8.433256
  H      -5.415195     -3.610203      6.336171
  N      -7.370299     -5.776682      1.571882
  N      -8.433277     -5.539780      1.398185
73
Coordinates from ORCA-job orca E -7352.690404145456
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  C      -3.702082     -5.092259      0.744358
  C      -3.831079     -6.487898      1.361242
  N      -2.971719     -6.528782      2.569470
  C      -3.211770     -7.719184      3.419107
  C      -4.577918     -7.591547      4.066925
  N      -4.886728     -6.170769      4.173445
  Mo     -3.533472     -4.691553      3.754392
  N      -1.668320     -5.269964      4.349216
  C      -0.747351     -5.951248      3.444307
  C      -1.529305     -6.427855      2.222076
  H      -0.274749     -6.795368      3.973466
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  H      -2.990172     -5.112727     -0.094876
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  H      -3.526542     -7.275757      0.652115
  H      -4.860475     -6.676869      1.679045
  C      -2.613205     -3.031887      1.401985
  C      -2.326908     -2.627447      0.070959
  C      -1.766301     -1.388003     -0.158865
  C      -1.506804     -0.489406      0.904707
  C      -1.753023     -0.867393      2.205584
  C      -2.246612     -2.164823      2.479229
  N      -2.533988     -2.645353      3.726917
  C      -2.005568     -2.097291      4.828641
  C      -0.695667     -1.548928      5.044068
  O      -0.326537     -0.909828      6.000234
  Cl      0.602846     -2.121017      3.834588
  C      -6.135151     -5.831316      4.603825
  C      -7.100270     -6.707212      5.145781
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  C      -8.665594     -4.855599      5.301375
  C      -7.730171     -3.978963      4.768419
  C      -6.451603     -4.455522      4.424367
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  C      -1.891948     -4.079238      7.787429
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  N      -3.494781     -4.380850      5.924462
  C      -4.597094     -4.222507      6.706612
  C      -4.834569     -4.985812      7.888108
  O      -4.205974     -5.886273      8.400645
  Cl     -6.446097     -4.461145      8.653255
  H      -2.593891     -3.262748     -0.771380
  H      -1.569794     -1.073471     -1.185175
  H      -1.144544      0.515880      0.688971
  H      -1.606356     -0.169125      3.028669
  H      -2.588681     -2.159312      5.745277
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  H      -9.091404     -6.885697      5.927388
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  H      -6.039154     -1.835134      4.616994
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  H       1.436468     -4.817893      7.720440
  H      -0.315042     -3.875414      9.222284
  H      -2.651468     -3.640708      8.433267
  H      -5.414451     -3.613282      6.336761
  N      -7.377846     -5.772438      1.578070
  N      -8.440113     -5.532441      1.405727
73
Coordinates from ORCA-job orca E -7352.690414010970
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  C      -3.704133     -5.092505      0.745081
  C      -3.830856     -6.488723      1.361927
  N      -2.972366     -6.528252      2.570628
  C      -3.211274     -7.718408      3.421402
  C      -4.578122     -7.591156      4.068573
  N      -4.887675     -6.170539      4.172506
  Mo     -3.534487     -4.691666      3.754687
  N      -1.667022     -5.268660      4.348673
  C      -0.746621     -5.949275      3.442986
  C      -1.529808     -6.427250      2.222275
  H      -0.272749     -6.792956      3.971787
  H       0.061388     -5.271475      3.121996
  H      -1.171641     -7.408271      1.870263
  H      -1.427677     -5.714826      1.399430
  H      -5.359615     -8.090612      3.470300
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  H      -2.427773     -7.721287      4.187977
  H      -2.995695     -5.111952     -0.096958
  H      -4.676881     -4.754961      0.351631
  H      -3.525952     -7.276613      0.653035
  H      -4.860035     -6.678965      1.679831
  C      -2.611950     -3.032833      1.402021
  C      -2.323719     -2.628878      0.071184
  C      -1.762487     -1.389724     -0.158254
  C      -1.504316     -0.490740      0.905322
  C      -1.752043     -0.868147      2.206067
  C      -2.245834     -2.165556      2.479644
  N      -2.534370     -2.645668      3.727197
  C      -2.007772     -2.097338      4.829647
  C      -0.698481     -1.548180      5.047062
  O      -0.331393     -0.908272      6.003441
  Cl      0.602536     -2.119309      3.839666
  C      -6.136145     -5.830863      4.602397
  C      -7.102052     -6.706380      5.143585
  C      -8.349827     -6.211483      5.494941
  C      -8.665976     -4.853570      5.300140
  C      -7.729923     -3.977353      4.767600
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  C      -5.332920     -1.627672      2.587951
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  C      -1.228428     -4.979473      5.603971
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  C       0.409093     -4.736434      7.366134
  C      -0.584692     -4.207554      8.219064
  C      -1.891314     -4.079621      7.787104
  C      -2.240813     -4.487367      6.481895
  N      -3.493780     -4.383593      5.924061
  C      -4.596428     -4.227104      6.706563
  C      -4.832846     -4.992835      7.886520
  O      -4.203554     -5.893854      8.397160
  Cl     -6.445688     -4.472062      8.652134
  H      -2.589898     -3.264550     -0.771134
  H      -1.564495     -1.075489     -1.184373
  H      -1.141758      0.514455      0.689655
  H      -1.606508     -0.169424      3.028942
  H      -2.592017     -2.160036      5.745511
  H      -6.866177     -7.758063      5.302698
  H      -9.093445     -6.883728      5.924759
  H      -9.659223     -4.486638      5.561336
  H      -7.988593     -2.935178      4.581017
  H      -6.036164     -1.834572      4.615349
  H       0.882813     -5.472540      5.404999
  H       1.438278     -4.813116      7.718810
  H      -0.314179     -3.874020      9.221425
  H      -2.651402     -3.642651      8.433347
  H      -5.414156     -3.618050      6.337218
  N      -7.385199     -5.769144      1.584725
  N      -8.447088     -5.526467      1.414046
73
Coordinates from ORCA-job orca E -7352.690420333788
  N      -3.234317     -4.173029      1.776154
  C      -3.706541     -5.091890      0.746222
  C      -3.830912     -6.488927      1.362192
  N      -2.973030     -6.527930      2.571122
  C      -3.211965     -7.718581      3.421430
  C      -4.578229     -7.591083      4.069798
  N      -4.888229     -6.170632      4.171620
  Mo     -3.535108     -4.691791      3.754847
  N      -1.666073     -5.267758      4.347754
  C      -0.746165     -5.948128      3.441407
  C      -1.530356     -6.427499      2.221957
  H      -0.271310     -6.791324      3.970156
  H       0.061304     -5.270246      3.119251
  H      -1.172839     -7.408989      1.870699
  H      -1.429072     -5.716168      1.398018
  H      -5.360295     -8.092805      3.474320
  H      -4.567333     -8.074493      5.060964
  H      -3.119675     -8.637186      2.819766
  H      -2.427538     -7.723179      4.186931
  H      -3.002017     -5.110285     -0.099021
  H      -4.681305     -4.754296      0.357761
  H      -3.525053     -7.276091      0.652943
  H      -4.860214     -6.680492      1.679989
  C      -2.609899     -3.033721      1.402478
  C      -2.319355     -2.630569      0.071842
  C      -1.757823     -1.391573     -0.157507
  C      -1.501823     -0.491706      0.905838
  C      -1.751481     -0.868384      2.206428
  C      -2.244988     -2.165871      2.480174
  N      -2.535242     -2.645152      3.727683
  C      -2.011258     -2.095996      4.830747
  C      -0.703316     -1.544131      5.050515
  O      -0.340112     -0.901542      6.006531
  Cl      0.601787     -2.114104      3.847183
  C      -6.136664     -5.830716      4.601627
  C      -7.102789     -6.705894      5.142966
  C      -8.350343     -6.210588      5.494464
  C      -8.666106     -4.852576      5.299628
  C      -7.729879     -3.976724      4.766814
  C      -6.451925     -4.454513      4.422547
  N      -5.450060     -3.723729      3.810771
  C      -5.592689     -2.358975      3.763776
  C      -5.333410     -1.629438      2.584613
  O      -5.160439     -1.990391      1.437255
  Cl     -5.355035      0.202799      2.947616
  C      -1.227125     -4.979007      5.602872
  C       0.101146     -5.114619      6.070658
  C       0.410510     -4.735910      7.364819
  C      -0.583421     -4.208132      8.218232
  C      -1.890280     -4.080809      7.786720
  C      -2.239683     -4.488200      6.481385
  N      -3.492753     -4.385547      5.923702
  C      -4.595521     -4.229418      6.706433
  C      -4.831540     -4.995963      7.885834
  O      -4.202488     -5.897780      8.395361
  Cl     -6.444516     -4.476041      8.651990
  H      -2.584084     -3.266896     -0.770442
  H      -1.557923     -1.078044     -1.183476
  H      -1.139393      0.513505      0.690056
  H      -1.607830     -0.168870      3.028952
  H      -2.596918     -2.159486      5.745620
  H      -6.867108     -7.757581      5.302380
  H      -9.094093     -6.882529      5.924521
  H      -9.659127     -4.485310      5.561199
  H      -7.988167     -2.934440      4.580308
  H      -6.035192     -1.834367      4.612721
  H       0.884336     -5.470586      5.403037
  H       1.439782     -4.812131      7.717353
  H      -0.312839     -3.874919      9.220682
  H      -2.650519     -3.644733      8.433378
  H      -5.413059     -3.619902      6.337434
  N      -7.388629     -5.766894      1.590573
  N      -8.450026     -5.521497      1.421076
73
Coordinates from ORCA-job orca E -7352.690424296985
  N      -3.234040     -4.173483      1.776584
  C      -3.708618     -5.091888      0.747495
  C      -3.831043     -6.489506      1.362939
  N      -2.973236     -6.527867      2.571816
  C      -3.212479     -7.718486      3.421936
  C      -4.579573     -7.591387      4.068245
  N      -4.889423     -6.170892      4.170409
  Mo     -3.535911     -4.691828      3.755179
  N      -1.665706     -5.266605      4.347056
  C      -0.745761     -5.945874      3.439921
  C      -1.530687     -6.427938      2.221855
  H      -0.268574     -6.787723      3.968693
  H       0.060026     -5.266750      3.116173
  H      -1.173602     -7.410188      1.872401
  H      -1.430061     -5.718379      1.396255
  H      -5.360916     -8.093035      3.471879
  H      -4.568794     -8.075264      5.059225
  H      -3.119806     -8.636760      2.819693
  H      -2.428805     -7.723610      4.188175
  H      -3.006813     -5.109647     -0.099991
  H      -4.684705     -4.754337      0.362272
  H      -3.524050     -7.275935      0.653378
  H      -4.860450     -6.682323      1.680293
  C      -2.608564     -3.034813      1.403008
  C      -2.316545     -2.632370      0.072440
  C      -1.754726     -1.393546     -0.157096
  C      -1.499989     -0.492976      0.905960
  C      -1.750817     -0.869108      2.206485
  C      -2.244227     -2.166557      2.480565
  N      -2.535586     -2.645142      3.728159
  C      -2.012716     -2.095966      4.831561
  C      -0.705446     -1.542806      5.052753
  O      -0.344485     -0.898731      6.008597
  Cl      0.601918     -2.111969      3.851701
  C      -6.137831     -5.830743      4.600718
  C      -7.104207     -6.705858      5.141616
  C      -8.351583     -6.210310      5.493395
  C      -8.666871     -4.852094      5.299206
  C      -7.730361     -3.976286      4.766772
  C      -6.452632     -4.454427      4.422215
  N      -5.450261     -3.723793      3.810806
  C      -5.592575     -2.358936      3.763589
  C      -5.332931     -1.629787      2.584281
  O      -5.159669     -1.990891      1.437053
  Cl     -5.353116      0.202649      2.947355
  C      -1.226348     -4.977752      5.601932
  C       0.102208     -5.112290      6.069264
  C       0.411558     -4.733880      7.363526
  C      -0.582548     -4.207354      8.217472
  C      -1.889647     -4.080911      7.786378
  C      -2.238986     -4.488040      6.480949
  N      -3.492268     -4.386718      5.923706
  C      -4.594996     -4.231221      6.706726
  C      -4.829906     -4.997614      7.886414
  O      -4.200210     -5.899184      8.395601
  Cl     -6.442796     -4.478548      8.653295
  H      -2.580355     -3.269141     -0.769797
  H      -1.553604     -1.080688     -1.183033
  H      -1.137666      0.512218      0.689947
  H      -1.608343     -0.168990      3.028689
  H      -2.598899     -2.160424      5.746057
  H      -6.868631     -7.757625      5.300697
  H      -9.095545     -6.882171      5.923206
  H      -9.659703     -4.484552      5.561098
  H      -7.988299     -2.933803      4.580929
  H      -6.034939     -1.834091      4.612435
  H       0.885488     -5.467253      5.401215
  H       1.440963     -4.809451      7.715824
  H      -0.311919     -3.874372      9.219984
  H      -2.650118     -3.645849      8.433462
  H      -5.412885     -3.621989      6.338064
  N      -7.389894     -5.766791      1.592835
  N      -8.451047     -5.519746      1.423760
73
Coordinates from ORCA-job orca E -7352.690426949838
  N      -3.233650     -4.173987      1.777056
  C      -3.710067     -5.091782      0.748423
  C      -3.831052     -6.489900      1.363215
  N      -2.973292     -6.527988      2.572171
  C      -3.213142     -7.718700      3.421816
  C      -4.580288     -7.591646      4.067651
  N      -4.890384     -6.171125      4.169830
  Mo     -3.536472     -4.691741      3.755449
  N      -1.665612     -5.265925      4.346362
  C      -0.745512     -5.943978      3.438487
  C      -1.530972     -6.428545      2.221570
  H      -0.265895     -6.784444      3.967210
  H       0.058436     -5.263360      3.113290
  H      -1.174302     -7.411562      1.873949
  H      -1.430647     -5.720607      1.394506
  H      -5.361258     -8.093345      3.470966
  H      -4.568808     -8.075265      5.058730
  H      -3.121205     -8.636597      2.818787
  H      -2.429605     -7.725220      4.188216
  H      -3.010185     -5.109071     -0.100663
  H      -4.686937     -4.753979      0.365388
  H      -3.522359     -7.275397      0.653358
  H      -4.860583     -6.684078      1.679533
  C      -2.607284     -3.035809      1.403336
  C      -2.314400     -2.634092      0.072727
  C      -1.752374     -1.395437     -0.157274
  C      -1.498361     -0.494200      0.905395
  C      -1.749963     -0.869780      2.205929
  C      -2.243325     -2.167115      2.480499
  N      -2.535843     -2.644760      3.728267
  C      -2.014624     -2.094609      4.831754
  C      -0.708421     -1.539168      5.054298
  O      -0.350300     -0.892998      6.009778
  Cl      0.601739     -2.107742      3.856355
  C      -6.138731     -5.830911      4.600486
  C      -7.105076     -6.705988      5.141400
  C      -8.352289     -6.210275      5.493541
  C      -8.667343     -4.851967      5.299671
  C      -7.730783     -3.976175      4.767243
  C      -6.453271     -4.454584      4.422319
  N      -5.450622     -3.723944      3.811103
  C      -5.592632     -2.359034      3.764043
  C      -5.332239     -1.630163      2.584674
  O      -5.158369     -1.991351      1.437627
  Cl     -5.352072      0.202495      2.947806
  C      -1.225961     -4.977512      5.601227
  C       0.102771     -5.111733      6.068216
  C       0.412252     -4.734060      7.362660
  C      -0.581825     -4.208389      8.217146
  C      -1.889040     -4.082115      7.786348
  C      -2.238523     -4.488630      6.480754
  N      -3.491925     -4.387342      5.923788
  C      -4.594639     -4.231884      6.706869
  C      -4.829499     -4.998113      7.886690
  O      -4.199898     -5.899825      8.395780
  Cl     -6.442064     -4.478680      8.653834
  H      -2.577710     -3.271232     -0.769387
  H      -1.550577     -1.083276     -1.183288
  H      -1.136109      0.510937      0.689036
  H      -1.608201     -0.169130      3.027814
  H      -2.601682     -2.159305      5.745645
  H      -6.869418     -7.757764      5.300313
  H      -9.096290     -6.882051      5.923422
  H      -9.660007     -4.484216      5.561916
  H      -7.988538     -2.933564      4.581901
  H      -6.035213     -1.833980      4.612623
  H       0.886064     -5.465856      5.399739
  H       1.441747     -4.809538      7.714722
  H      -0.311065     -3.875888      9.219782
  H      -2.649490     -3.647564      8.433790
  H      -5.412569     -3.622648      6.338307
  N      -7.388569     -5.766195      1.593484
  N      -8.449226     -5.517001      1.424248
73
Coordinates from ORCA-job orca E -7352.690429483550
  N      -3.233680     -4.174724      1.777583
  C      -3.710825     -5.092307      0.749116
  C      -3.831043     -6.490662      1.363725
  N      -2.973316     -6.528372      2.572829
  C      -3.213477     -7.718759      3.422624
  C      -4.581239     -7.591957      4.067159
  N      -4.891679     -6.171374      4.169405
  Mo     -3.537184     -4.691694      3.755849
  N      -1.665839     -5.265290      4.345984
  C      -0.745343     -5.941519      3.437269
  C      -1.531271     -6.429224      2.221670
  H      -0.262428     -6.780157      3.965812
  H       0.056013     -5.258655      3.110343
  H      -1.174672     -7.413070      1.876379
  H      -1.431246     -5.723238      1.392901
  H      -5.361360     -8.093267      3.469073
  H      -4.570487     -8.075578      5.058188
  H      -3.120950     -8.636935      2.820072
  H      -2.430581     -7.725085      4.189761
  H      -3.011786     -5.109441     -0.100674
  H      -4.687957     -4.754400      0.366822
  H      -3.520754     -7.275539      0.653859
  H      -4.860651     -6.685920      1.678838
  C      -2.606900     -3.036726      1.403630
  C      -2.313953     -2.635402      0.072920
  C      -1.751836     -1.396853     -0.157516
  C      -1.497767     -0.495304      0.904881
  C      -1.749414     -0.870617      2.205485
  C      -2.242828     -2.167828      2.480453
  N      -2.535627     -2.645019      3.728439
  C      -2.014607     -2.094895      4.831902
  C      -0.708792     -1.538520      5.054845
  O      -0.351690     -0.891893      6.010399
  Cl      0.602144     -2.106282      3.857676
  C      -6.140054     -5.831168      4.599955
  C      -7.106638     -6.706323      5.140258
  C      -8.353780     -6.210432      5.492456
  C      -8.668420     -4.851947      5.299270
  C      -7.731568     -3.976039      4.767475
  C      -6.454181     -4.454672      4.422490
  N      -5.451117     -3.723869      3.811937
  C      -5.592500     -2.358886      3.765637
  C      -5.331400     -1.629927      2.586390
  O      -5.157545     -1.990853      1.439323
  Cl     -5.349995      0.202774      2.950226
  C      -1.225834     -4.976750      5.600719
  C       0.103168     -5.110079      6.067274
  C       0.412821     -4.732647      7.361741
  C      -0.581323     -4.207938      8.216756
  C      -1.888706     -4.082311      7.786300
  C      -2.238306     -4.488580      6.480665
  N      -3.491921     -4.387822      5.924096
  C      -4.594510     -4.232903      6.707394
  C      -4.828737     -4.998883      7.887535
  O      -4.198567     -5.900198      8.396651
  Cl     -6.441207     -4.479951      8.654995
  H      -2.577278     -3.272653     -0.769101
  H      -1.550083     -1.085087     -1.183657
  H      -1.135544      0.509780      0.688255
  H      -1.607725     -0.169694      3.027147
  H      -2.601537     -2.160435      5.745846
  H      -6.871154     -7.758233      5.298537
  H      -9.098051     -6.882216      5.921862
  H      -9.661004     -4.484018      5.561579
  H      -7.989041     -2.933244      4.582796
  H      -6.035104     -1.833771      4.614147
  H       0.886554     -5.463269      5.398416
  H       1.442479     -4.807593      7.713443
  H      -0.310474     -3.875653      9.219436
  H      -2.649255     -3.648412      8.434070
  H      -5.412947     -3.624265      6.338983
  N      -7.386069     -5.764797      1.592286
  N      -8.446001     -5.512929      1.422360
73
Coordinates from ORCA-job orca E -7352.690432331297
  N      -3.233861     -4.175581      1.777993
  C      -3.711159     -5.093191      0.749542
  C      -3.831172     -6.491558      1.364298
  N      -2.973462     -6.528919      2.573547
  C      -3.213524     -7.718805      3.423897
  C      -4.581560     -7.592121      4.068203
  N      -4.892937     -6.171557      4.169282
  Mo     -3.537907     -4.691575      3.756220
  N      -1.666196     -5.264708      4.345549
  C      -0.745175     -5.938332      3.435637
  C      -1.531710     -6.429923      2.221729
  H      -0.257882     -6.774686      3.963678
  H       0.052682     -5.252360      3.106601
  H      -1.174902     -7.414696      1.879333
  H      -1.432126     -5.726362      1.390873
  H      -5.361021     -8.093970      3.469694
  H      -4.571111     -8.074623      5.059707
  H      -3.120477     -8.637523      2.822270
  H      -2.430775     -7.724362      4.191284
  H      -3.012388     -5.110435     -0.100463
  H      -4.688263     -4.755174      0.367248
  H      -3.519606     -7.276100      0.654590
  H      -4.860814     -6.687604      1.678242
  C      -2.606618     -3.037804      1.403638
  C      -2.313844     -2.636974      0.072768
  C      -1.751524     -1.398593     -0.158219
  C      -1.497042     -0.496773      0.903840
  C      -1.748581     -0.871689      2.204588
  C      -2.242210     -2.168682      2.480042
  N      -2.535341     -2.645257      3.728281
  C      -2.014953     -2.094624      4.831674
  C      -0.709722     -1.536909      5.055128
  O      -0.353960     -0.889694      6.010794
  Cl      0.602341     -2.103854      3.859148
  C      -6.141312     -5.831470      4.599587
  C      -7.108186     -6.706713      5.139272
  C      -8.355236     -6.210615      5.491574
  C      -8.669439     -4.851933      5.299215
  C      -7.732301     -3.975902      4.768061
  C      -6.455060     -4.454740      4.422943
  N      -5.451675     -3.723796      3.813061
  C      -5.592374     -2.358734      3.767572
  C      -5.330538     -1.629611      2.588516
  O      -5.156658     -1.990222      1.441397
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  C       0.103443     -5.108746      6.066265
  C       0.413298     -4.731829      7.360817
  C      -0.580940     -4.208362      8.216527
  C      -1.888513     -4.083408      7.786490
  C      -2.238263     -4.489185      6.480753
  N      -3.492060     -4.388474      5.924480
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  C      -4.828513     -5.000509      7.888042
  O      -4.197884     -5.901569      8.397068
  Cl     -6.441202     -4.482490      8.655423
  H      -2.577485     -3.274305     -0.769088
  H      -1.550066     -1.087248     -1.184543
  H      -1.134668      0.508182      0.686876
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  H      -9.099796     -6.882430      5.920435
  H      -9.661939     -4.483839      5.561626
  H      -7.989498     -2.932922      4.584046
  H      -6.034986     -1.833536      4.616016
  H       0.886968     -5.460694      5.396922
  H       1.443165     -4.806147      7.712042
  H      -0.310000     -3.876458      9.219306
  H      -2.649136     -3.650254      8.434664
  H      -5.413582     -3.626415      6.339574
  N      -7.382568     -5.760919      1.589937
  N      -8.441255     -5.504631      1.418814
73
Coordinates from ORCA-job orca E -7352.690435195765
  N      -3.234245     -4.176640      1.778293
  C      -3.711068     -5.094626      0.749791
  C      -3.831448     -6.492783      1.365083
  N      -2.973813     -6.529685      2.574458
  C      -3.213280     -7.718829      3.425877
  C      -4.581524     -7.592209      4.070340
  N      -4.894106     -6.171749      4.169286
  Mo     -3.538595     -4.691597      3.756574
  N      -1.666695     -5.264186      4.345226
  C      -0.745024     -5.934543      3.433799
  C      -1.532254     -6.430823      2.221967
  H      -0.252387     -6.768172      3.961087
  H       0.048530     -5.244740      3.102305
  H      -1.174969     -7.416634      1.883093
  H      -1.433224     -5.730253      1.388571
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  H      -3.011948     -5.112224     -0.099904
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  H      -3.519128     -7.277404      0.655763
  H      -4.861165     -6.689095      1.678143
  C      -2.606780     -3.038977      1.403521
  C      -2.314372     -2.638537      0.072494
  C      -1.751951     -1.400259     -0.158970
  C      -1.496968     -0.498268      0.902786
  C      -1.748215     -0.872827      2.203717
  C      -2.241997     -2.169641      2.479599
  N      -2.535063     -2.645828      3.728083
  C      -2.014912     -2.095089      4.831465
  C      -0.710067     -1.536420      5.055164
  O      -0.355072     -0.889282      6.011185
  Cl      0.602472     -2.102097      3.859425
  C      -6.142509     -5.831818      4.599091
  C      -7.109850     -6.707156      5.137933
  C      -8.356861     -6.210863      5.490139
  C      -8.670609     -4.851963      5.298694
  C      -7.733075     -3.975805      4.768408
  C      -6.455915     -4.454797      4.423330
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  C      -5.592154     -2.358603      3.769507
  C      -5.329840     -1.629304      2.590627
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  Cl     -5.346461      0.203340      2.955621
  C      -1.226009     -4.975874      5.599845
  C       0.103677     -5.106960      6.065208
  C       0.413732     -4.730358      7.359796
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  C      -1.888506     -4.084400      7.786716
  C      -2.238383     -4.489870      6.480943
  N      -3.492405     -4.389477      5.924971
  C      -4.594783     -4.236419      6.708730
  C      -4.828171     -5.003107      7.888666
  O      -4.196798     -5.903787      8.397466
  Cl     -6.441243     -4.486608      8.656073
  H      -2.578401     -3.275924     -0.769194
  H      -1.550944     -1.089212     -1.185472
  H      -1.134458      0.506576      0.685533
  H      -1.605974     -0.171388      3.024838
  H      -2.601884     -2.161852      5.745307
  H      -6.875172     -7.759487      5.294520
  H      -9.101794     -6.882756      5.918239
  H      -9.663081     -4.483755      5.561051
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  H      -6.034544     -1.833283      4.617992
  H       0.887405     -5.457491      5.395367
  H       1.443866     -4.803703      7.710431
  H      -0.309668     -3.876684      9.219071
  H      -2.649269     -3.652164      8.435333
  H      -5.414550     -3.629468      6.340498
  N      -7.378210     -5.753673      1.586700
  N      -8.434916     -5.490496      1.414001
73
Coordinates from ORCA-job orca E -7352.690439678583
  N      -3.234879     -4.177923      1.778383
  C      -3.710995     -5.096611      0.749980
  C      -3.832002     -6.494352      1.366197
  N      -2.974302     -6.530565      2.575501
  C      -3.212583     -7.718767      3.428496
  C      -4.580755     -7.592136      4.073811
  N      -4.894993     -6.171916      4.169372
  Mo     -3.539195     -4.691716      3.756841
  N      -1.667292     -5.263543      4.344889
  C      -0.744798     -5.929606      3.431378
  C      -1.532845     -6.431793      2.222182
  H      -0.245403     -6.759856      3.957524
  H       0.043282     -5.234923      3.096958
  H      -1.174806     -7.418833      1.887742
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  H      -3.011205     -5.114768     -0.099128
  H      -4.687509     -4.758793      0.366007
  H      -3.519677     -7.279472      0.657405
  H      -4.861753     -6.690508      1.678995
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  C      -2.315018     -2.640555      0.071922
  C      -1.752379     -1.402428     -0.160029
  C      -1.496922     -0.500226      0.901358
  C      -1.747974     -0.874245      2.202523
  C      -2.242009     -2.170823      2.478890
  N      -2.535044     -2.646513      3.727603
  C      -2.015404     -2.095502      4.831064
  C      -0.711012     -1.535845      5.055160
  O      -0.356859     -0.888943      6.011681
  Cl      0.602197     -2.100029      3.859704
  C      -6.143420     -5.832199      4.598666
  C      -7.111232     -6.707613      5.136765
  C      -8.358212     -6.211196      5.488911
  C      -8.671609     -4.852087      5.298398
  C      -7.733717     -3.975826      4.768911
  C      -6.456631     -4.454898      4.423778
  N      -5.452738     -3.723774      3.815535
  C      -5.592018     -2.358562      3.771244
  C      -5.329257     -1.628990      2.592626
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  Cl     -5.344829      0.203504      2.958080
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  C       0.103845     -5.105013      6.064064
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  C      -0.580662     -4.208823      8.216062
  C      -1.888827     -4.086138      7.787171
  C      -2.238747     -4.491108      6.481292
  N      -3.492967     -4.391000      5.925539
  C      -4.595225     -4.239347      6.709630
  C      -4.827981     -5.006868      7.889184
  O      -4.195709     -5.907124      8.397639
  Cl     -6.441680     -4.492473      8.656544
  H      -2.579428     -3.278087     -0.769534
  H      -1.551683     -1.091753     -1.186707
  H      -1.134153      0.504457      0.683772
  H      -1.605409     -0.172469      3.023289
  H      -2.602447     -2.162949      5.744814
  H      -6.877071     -7.760158      5.292640
  H      -9.103447     -6.883221      5.916285
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  H      -6.034238     -1.833179      4.619790
  H       0.887875     -5.453745      5.393648
  H       1.444460     -4.801024      7.708747
  H      -0.309664     -3.877539      9.219024
  H      -2.649800     -3.655145      8.436360
  H      -5.415823     -3.633424      6.341546
  N      -7.373257     -5.742012      1.581759
  N      -8.426915     -5.468316      1.406935
73
Coordinates from ORCA-job orca E -7352.690445890255
  N      -3.235704     -4.179685      1.778234
  C      -3.710908     -5.099387      0.750148
  C      -3.832559     -6.496576      1.367577
  N      -2.974761     -6.531690      2.576702
  C      -3.211458     -7.718807      3.431689
  C      -4.579328     -7.592057      4.078236
  N      -4.895402     -6.172212      4.169534
  Mo     -3.539531     -4.692205      3.756999
  N      -1.668001     -5.262971      4.344748
  C      -0.744461     -5.923786      3.428647
  C      -1.533249     -6.433103      2.222557
  H      -0.237024     -6.749988      3.953336
  H       0.037042     -5.223247      3.090987
  H      -1.174293     -7.421612      1.893568
  H      -1.435921     -5.741128      1.381921
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  H      -4.567410     -8.067128      5.073287
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  H      -3.010114     -5.118187     -0.098104
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  H      -3.520695     -7.282518      0.659489
  H      -4.862387     -6.692303      1.680691
  C      -2.608091     -3.042346      1.402448
  C      -2.316187     -2.642933      0.071098
  C      -1.753540     -1.404851     -0.161310
  C      -1.497886     -0.502359      0.899677
  C      -1.748740     -0.875796      2.201107
  C      -2.242796     -2.172220      2.477979
  N      -2.535537     -2.647500      3.726896
  C      -2.016376     -2.096328      4.830530
  C      -0.712440     -1.535739      5.054941
  O      -0.358913     -0.889350      6.012077
  Cl      0.601310     -2.097938      3.859281
  C      -6.143876     -5.832729      4.598370
  C      -7.112060     -6.708172      5.135988
  C      -8.359034     -6.211746      5.488093
  C      -8.672293     -4.852482      5.298295
  C      -7.734142     -3.976172      4.769388
  C      -6.457096     -4.455233      4.424147
  N      -5.453191     -3.724058      3.816525
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  C      -5.329034     -1.629078      2.593938
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  C       0.103907     -5.102999      6.063082
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  C      -1.889526     -4.088329      7.787877
  C      -2.239392     -4.492824      6.481882
  N      -3.493781     -4.393173      5.926248
  C      -4.595897     -4.242981      6.710741
  C      -4.827931     -5.011584      7.889761
  O      -4.194727     -5.911482      8.397700
  Cl     -6.442117     -4.499268      8.657424
  H      -2.580781     -3.280759     -0.770079
  H      -1.553041     -1.094531     -1.188138
  H      -1.135020      0.502224      0.681752
  H      -1.606030     -0.173589      3.021467
  H      -2.603405     -2.164701      5.744221
  H      -6.878325     -7.760852      5.291585
  H      -9.104423     -6.883939      5.914939
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  H      -6.033867     -1.833381      4.621074
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  H       1.444858     -4.798034      7.707267
  H      -0.310067     -3.878591      9.219204
  H      -2.650766     -3.658794      8.437702
  H      -5.417233     -3.637879      6.342941
  N      -7.366482     -5.723311      1.574711
  N      -8.415188     -5.432836      1.397465
73
Coordinates from ORCA-job orca E -7352.690454915518
  N      -3.236877     -4.181988      1.777768
  C      -3.711374     -5.102991      0.750473
  C      -3.832973     -6.499587      1.369350
  N      -2.974851     -6.532940      2.578054
  C      -3.209678     -7.718963      3.435279
  C      -4.576995     -7.592040      4.083323
  N      -4.895105     -6.172706      4.169796
  Mo     -3.539553     -4.693097      3.757042
  N      -1.668768     -5.262389      4.344955
  C      -0.743914     -5.917040      3.425791
  C      -1.533189     -6.434491      2.223092
  H      -0.227432     -6.738635      3.948738
  H       0.030093     -5.209800      3.084861
  H      -1.173205     -7.424638      1.900363
  H      -1.436911     -5.747979      1.377898
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  H      -3.009668     -5.122357     -0.097026
  H      -4.687462     -4.766609      0.364351
  H      -3.521919     -7.286526      0.662043
  H      -4.862764     -6.695147      1.683628
  C      -2.609731     -3.044694      1.401380
  C      -2.318039     -2.645811      0.069858
  C      -1.755493     -1.407741     -0.163039
  C      -1.499841     -0.504843      0.897492
  C      -1.750511     -0.877614      2.199208
  C      -2.244462     -2.173923      2.476672
  N      -2.536749     -2.648767      3.725771
  C      -2.018091     -2.097320      4.829625
  C      -0.714583     -1.536052      5.054281
  O      -0.361321     -0.890371      6.012034
  Cl      0.599638     -2.096276      3.858076
  C      -6.143673     -5.833519      4.598430
  C      -7.111860     -6.708964      5.136187
  C      -8.358828     -6.212724      5.488505
  C      -8.672318     -4.853416      5.299044
  C      -7.734214     -3.977095      4.770159
  C      -6.457204     -4.455998      4.424535
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  C      -5.329422     -1.629651      2.594412
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  C       0.413754     -4.726131      7.357745
  C      -0.581855     -4.210870      8.216687
  C      -1.890807     -4.091275      7.789077
  C      -2.240400     -4.495078      6.482843
  N      -3.494838     -4.395932      5.927124
  C      -4.596886     -4.247086      6.711943
  C      -4.828178     -5.016857      7.890353
  O      -4.194112     -5.916493      8.397672
  Cl     -6.442697     -4.506409      8.658588
  H      -2.582659     -3.284115     -0.770954
  H      -1.555011     -1.097814     -1.189994
  H      -1.136992      0.499666      0.679167
  H      -1.607748     -0.174910      3.019125
  H      -2.605175     -2.166490      5.743213
  H      -6.878240     -7.761624      5.292131
  H      -9.104047     -6.885125      5.915322
  H      -9.664832     -4.485456      5.561538
  H      -7.990401     -2.933580      4.587587
  H      -6.033930     -1.834184      4.621662
  H       0.888737     -5.445521      5.391030
  H       1.444815     -4.795196      7.706509
  H      -0.311206     -3.880414      9.220027
  H      -2.652408     -3.663473      8.439606
  H      -5.418726     -3.642441      6.344487
  N      -7.357623     -5.695960      1.563340
  N      -8.398633     -5.380350      1.383780
73
Coordinates from ORCA-job orca E -7352.690466578092
  N      -3.238003     -4.184306      1.777204
  C      -3.712159     -5.106451      0.750876
  C      -3.832805     -6.502670      1.370877
  N      -2.974360     -6.534084      2.579194
  C      -3.207804     -7.719440      3.438016
  C      -4.574604     -7.592377      4.087158
  N      -4.894188     -6.173469      4.170183
  Mo     -3.539226     -4.694277      3.757023
  N      -1.669354     -5.262249      4.345646
  C      -0.743305     -5.912076      3.424161
  C      -1.532537     -6.435634      2.223800
  H      -0.220125     -6.730208      3.945788
  H       0.025060     -5.199689      3.081216
  H      -1.171806     -7.426999      1.905829
  H      -1.437023     -5.753209      1.375212
  H      -5.353752     -8.109307      3.500838
  H      -4.558499     -8.061867      5.085021
  H      -3.112534     -8.642049      2.842936
  H      -2.420717     -7.714787      4.201086
  H      -3.009992     -5.126026     -0.096277
  H      -4.688445     -4.771228      0.364390
  H      -3.522104     -7.290281      0.664209
  H      -4.862486     -6.698782      1.686456
  C      -2.611832     -3.046791      1.400289
  C      -2.320568     -2.648165      0.068599
  C      -1.758490     -1.409956     -0.164716
  C      -1.502988     -0.506670      0.895473
  C      -1.753264     -0.879047      2.197408
  C      -2.246768     -2.175404      2.475374
  N      -2.538316     -2.650072      3.724607
  C      -2.019764     -2.098377      4.828559
  C      -0.716478     -1.536877      5.053042
  O      -0.362829     -0.891773      6.011072
  Cl      0.597727     -2.095818      3.855826
  C      -6.142889     -5.834570      4.598885
  C      -7.110652     -6.710038      5.137359
  C      -8.357624     -6.214130      5.490076
  C      -8.671650     -4.854919      5.300435
  C      -7.733937     -3.978588      4.770977
  C      -6.456924     -4.457212      4.424849
  N      -5.453867     -3.725732      3.817028
  C      -5.592626     -2.360658      3.772439
  C      -5.330554     -1.630852      2.593881
  O      -5.159120     -1.991676      1.446238
  Cl     -5.343997      0.200969      2.958434
  C      -1.227677     -4.975955      5.600525
  C       0.103541     -5.100063      6.062918
  C       0.413125     -4.725572      7.358370
  C      -0.582977     -4.212153      8.217706
  C      -1.892180     -4.093686      7.790395
  C      -2.241421     -4.497027      6.483948
  N      -3.495759     -4.398265      5.927959
  C      -4.597825     -4.249924      6.712870
  C      -4.828828     -5.020441      7.890845
  O      -4.194521     -5.920181      8.397658
  Cl     -6.443158     -4.510404      8.659841
  H      -2.585096     -3.286976     -0.771874
  H      -1.558119     -1.100234     -1.191761
  H      -1.140478      0.497890      0.676800
  H      -1.610526     -0.175991      3.017019
  H      -2.606716     -2.168100      5.742189
  H      -6.876753     -7.762529      5.294092
  H      -9.102390     -6.886700      5.917408
  H      -9.664194     -4.487277      5.563240
  H      -7.990225     -2.935139      4.588131
  H      -6.034252     -1.835514      4.621545
  H       0.888901     -5.442941      5.391112
  H       1.444330     -4.793521      7.706925
  H      -0.312642     -3.882005      9.221241
  H      -2.654069     -3.667100      8.441373
  H      -5.419624     -3.645040      6.345695
  N      -7.347860     -5.666469      1.550261
  N      -8.380008     -5.323264      1.370244
73
Coordinates from ORCA-job orca E -7352.690478365094
  N      -3.239043     -4.186455      1.776652
  C      -3.713001     -5.109596      0.751264
  C      -3.832287     -6.505581      1.372136
  N      -2.973563     -6.535138      2.580143
  C      -3.206014     -7.720130      3.440033
  C      -4.572432     -7.593013      4.089913
  N      -4.893114     -6.174423      4.170592
  Mo     -3.538842     -4.695486      3.756972
  N      -1.669819     -5.262368      4.346540
  C      -0.742721     -5.908586      3.423436
  C      -1.531625     -6.436491      2.224570
  H      -0.214809     -6.724231      3.944125
  H       0.021580     -5.192397      3.079367
  H      -1.170302     -7.428678      1.909982
  H      -1.436677     -5.756899      1.373627
  H      -5.351767     -8.112407      3.506032
  H      -4.554606     -8.060968      5.088557
  H      -3.111174     -8.642787      2.844942
  H      -2.418084     -7.714846      4.202184
  H      -3.010675     -5.129186     -0.095803
  H      -4.689600     -4.775526      0.364692
  H      -3.521516     -7.293598      0.665991
  H      -4.861854     -6.702776      1.688780
  C      -2.614003     -3.048606      1.399242
  C      -2.323324     -2.650111      0.067377
  C      -1.761839     -1.411720     -0.166340
  C      -1.506436     -0.508089      0.893574
  C      -1.756185     -0.880221      2.195689
  C      -2.249136     -2.176690      2.474107
  N      -2.539881     -2.651303      3.723463
  C      -2.021221     -2.099310      4.827396
  C      -0.718032     -1.537829      5.051496
  O      -0.363704     -0.893088      6.009538
  Cl      0.595912     -2.096152      3.853202
  C      -6.141933     -5.835821      4.599532
  C      -7.109072     -6.711379      5.138919
  C      -8.356024     -6.215849      5.492209
  C      -8.670674     -4.856782      5.302283
  C      -7.733535     -3.980390      4.772008
  C      -6.456522     -4.458675      4.425251
  N      -5.454121     -3.726950      3.816789
  C      -5.593357     -2.361998      3.771861
  C      -5.332083     -1.632364      2.593017
  O      -5.161085     -1.993845      1.445462
  Cl     -5.345856      0.199319      2.956705
  C      -1.228172     -4.976474      5.601540
  C       0.103167     -5.099547      6.063735
  C       0.412348     -4.725338      7.359402
  C      -0.584203     -4.213221      8.218892
  C      -1.893538     -4.095553      7.791657
  C      -2.242396     -4.498568      6.485017
  N      -3.496551     -4.400055      5.928678
  C      -4.598691     -4.251759      6.713527
  C      -4.829666     -5.022680      7.891235
  O      -4.195463     -5.922705      8.397651
  Cl     -6.443622     -4.512355      8.660909
  H      -2.587788     -3.289382     -0.772779
  H      -1.561713     -1.102107     -1.193468
  H      -1.144374      0.496563      0.674572
  H      -1.613425     -0.176929      3.015094
  H      -2.607970     -2.169315      5.741133
  H      -6.874720     -7.763667      5.296388
  H      -9.100230     -6.888575      5.920260
  H      -9.663221     -4.489478      5.565540
  H      -7.990079     -2.937051      4.588861
  H      -6.034840     -1.837052      4.621184
  H       0.888891     -5.441341      5.391824
  H       1.443608     -4.792502      7.707949
  H      -0.314198     -3.883276      9.222589
  H      -2.655674     -3.669810      8.442889
  H      -5.420209     -3.646367      6.346552
  N      -7.337861     -5.637327      1.536794
  N      -8.360935     -5.267108      1.358523
73
Coordinates from ORCA-job orca E -7352.690492357720
  N      -3.240077     -4.188401      1.776110
  C      -3.713906     -5.112431      0.751613
  C      -3.831578     -6.508260      1.373193
  N      -2.972567     -6.536076      2.580921
  C      -3.204250     -7.720967      3.441447
  C      -4.570357     -7.593883      4.091892
  N      -4.891848     -6.175530      4.171093
  Mo     -3.538397     -4.696695      3.756905
  N      -1.670192     -5.262732      4.347622
  C      -0.742191     -5.906493      3.423539
  C      -1.530544     -6.437026      2.225370
  H      -0.211411     -6.720631      3.943628
  H       0.019575     -5.187772      3.079187
  H      -1.168740     -7.429647      1.912807
  H      -1.436002     -5.759050      1.373064
  H      -5.349855     -8.115022      3.509817
  H      -4.551048     -8.060866      5.091032
  H      -3.109939     -8.643468      2.846007
  H      -2.415679     -7.715564      4.202880
  H      -3.011604     -5.131915     -0.095527
  H      -4.690873     -4.779495      0.365108
  H      -3.520534     -7.296520      0.667474
  H      -4.860946     -6.706850      1.690859
  C      -2.616287     -3.050135      1.398232
  C      -2.326335     -2.651660      0.066187
  C      -1.765515     -1.413062     -0.167903
  C      -1.510135     -0.509145      0.891802
  C      -1.759235     -0.881156      2.194070
  C      -2.251579     -2.177777      2.472883
  N      -2.541429     -2.652463      3.722343
  C      -2.022403     -2.100182      4.826156
  C      -0.719145     -1.539049      5.049636
  O      -0.363773     -0.894551      6.007462
  Cl      0.594209     -2.097361      3.850091
  C      -6.140787     -5.837262      4.600369
  C      -7.107137     -6.712979      5.140819
  C      -8.354079     -6.217907      5.494763
  C      -8.669475     -4.859039      5.304417
  C      -7.733069     -3.982530      4.773139
  C      -6.456023     -4.460383      4.425718
  N      -5.454386     -3.728343      3.816410
  C      -5.594332     -2.363528      3.771138
  C      -5.333978     -1.634084      2.591957
  O      -5.163296     -1.996228      1.444521
  Cl     -5.348420      0.197496      2.954753
  C      -1.228679     -4.977059      5.602731
  C       0.102675     -5.099501      6.064957
  C       0.411438     -4.725384      7.360778
  C      -0.585491     -4.214007      8.220186
  C      -1.894860     -4.096822      7.792845
  C      -2.243334     -4.499698      6.486056
  N      -3.497248     -4.401315      5.929310
  C      -4.599499     -4.252675      6.713978
  C      -4.830673     -5.023726      7.891554
  O      -4.196864     -5.924175      8.397683
  Cl     -6.444100     -4.512507      8.661835
  H      -2.590783     -3.291348     -0.773671
  H      -1.565748     -1.103463     -1.195107
  H      -1.148576      0.495622      0.672493
  H      -1.616379     -0.177735      3.013351
  H      -2.608859     -2.170211      5.740080
  H      -6.872170     -7.765027      5.299020
  H      -9.097629     -6.890794      5.923686
  H      -9.662029     -4.492122      5.568187
  H      -7.990031     -2.939358      4.589625
  H      -6.035703     -1.838807      4.620678
  H       0.888687     -5.440711      5.393105
  H       1.442677     -4.792066      7.709481
  H      -0.315813     -3.884129      9.223999
  H      -2.657190     -3.671541      8.444148
  H      -5.420541     -3.646557      6.347131
  N      -7.327676     -5.608460      1.522506
  N      -8.341608     -5.212205      1.348022
73
Coordinates from ORCA-job orca E -7352.690520503240
  N      -3.240918     -4.189749      1.775522
  C      -3.715348     -5.113800      0.751711
  C      -3.829626     -6.509932      1.372913
  N      -2.970383     -6.536305      2.580705
  C      -3.202606     -7.722318      3.439741
  C      -4.568467     -7.595848      4.089630
  N      -4.889556     -6.177332      4.172059
  Mo     -3.537558     -4.698188      3.756870
  N      -1.669875     -5.264033      4.349476
  C      -0.741591     -5.910325      3.426941
  C      -1.528444     -6.436112      2.225948
  H      -0.215909     -6.727275      3.947911
  H       0.024409     -5.194556      3.085978
  H      -1.166921     -7.427594      1.909501
  H      -1.433694     -5.754535      1.376438
  H      -5.348022     -8.115423      3.506441
  H      -4.548289     -8.065254      5.087673
  H      -3.109578     -8.643412      2.841793
  H      -2.414400     -7.719565      4.201422
  H      -3.014086     -5.132195     -0.096398
  H      -4.693199     -4.782157      0.366434
  H      -3.517197     -7.297458      0.667014
  H      -4.858114     -6.711416      1.691269
  C      -2.618674     -3.050831      1.397536
  C      -2.329428     -2.651969      0.065367
  C      -1.769608     -1.413035     -0.168858
  C      -1.514644     -0.508867      0.890906
  C      -1.763059     -0.881229      2.193120
  C      -2.254310     -2.178296      2.472086
  N      -2.543247     -2.653455      3.721509
  C      -2.023245     -2.100772      4.824965
  C      -0.719134     -1.541975      5.047610
  O      -0.361727     -0.896489      6.003981
  Cl      0.593263     -2.104340      3.847729
  C      -6.138578     -5.839447      4.602566
  C      -7.103199     -6.715463      5.145216
  C      -8.350094     -6.221153      5.500414
  C      -8.666844     -4.862778      5.308726
  C      -7.731988     -3.986076      4.775135
  C      -6.454862     -4.463185      4.426642
  N      -5.454540     -3.730596      3.815110
  C      -5.596398     -2.366033      3.769233
  C      -5.338477     -1.637073      2.589156
  O      -5.168169     -2.000223      1.441993
  Cl     -5.354259      0.194565      2.950712
  C      -1.228962     -4.977830      5.604621
  C       0.101970     -5.101258      6.067845
  C       0.410207     -4.726270      7.363526
  C      -0.586803     -4.213176      8.221785
  C      -1.895830     -4.095231      7.793624
  C      -2.243972     -4.498971      6.486940
  N      -3.497472     -4.400441      5.929627
  C      -4.600040     -4.249327      6.713514
  C      -4.832661     -5.019167      7.891570
  O      -4.201267     -5.921402      8.397484
  Cl     -6.445327     -4.504658      8.661397
  H      -2.593613     -3.292014     -0.774318
  H      -1.570100     -1.103158     -1.196025
  H      -1.154030      0.496190      0.671409
  H      -1.620405     -0.177998      3.012613
  H      -2.609651     -2.169236      5.739037
  H      -6.866717     -7.766986      5.304682
  H      -9.092395     -6.894129      5.931330
  H      -9.659341     -4.496396      5.573474
  H      -7.990037     -2.943322      4.590827
  H      -6.037570     -1.841752      4.619132
  H       0.887931     -5.444072      5.396750
  H       1.441087     -4.793729      7.713144
  H      -0.317389     -3.882601      9.225443
  H      -2.658069     -3.668716      8.444222
  H      -5.419392     -3.641072      6.346454
  N      -7.319871     -5.581185      1.506989
  N      -8.325268     -5.160993      1.338713
73
Coordinates from ORCA-job orca E -7352.690546656765
  N      -3.241973     -4.189943      1.775722
  C      -3.717411     -5.112933      0.751999
  C      -3.826049     -6.510071      1.371267
  N      -2.966814     -6.536036      2.579759
  C      -3.201338     -7.724937      3.434323
  C      -4.567396     -7.599973      4.082328
  N      -4.886309     -6.180731      4.174436
  Mo     -3.536435     -4.700475      3.757625
  N      -1.668481     -5.267329      4.352752
  C      -0.741249     -5.924768      3.436276
  C      -1.525293     -6.433215      2.226882
  H      -0.234205     -6.751610      3.960468
  H       0.040160     -5.221547      3.104508
  H      -1.164839     -7.420543      1.896337
  H      -1.429511     -5.739186      1.387483
  H      -5.346828     -8.112677      3.493289
  H      -4.548145     -8.076264      5.077060
  H      -3.110048     -8.643173      2.831544
  H      -2.415057     -7.728255      4.197810
  H      -3.018857     -5.128718     -0.098458
  H      -4.696845     -4.782704      0.369609
  H      -3.510394     -7.295323      0.664261
  H      -4.852860     -6.716396      1.689449
  C      -2.622621     -3.049404      1.398078
  C      -2.335068     -2.648844      0.065875
  C      -1.776380     -1.409467     -0.167854
  C      -1.520546     -0.506063      0.892742
  C      -1.767476     -0.880045      2.194575
  C      -2.258335     -2.177553      2.472786
  N      -2.545280     -2.654391      3.721911
  C      -2.021448     -2.101402      4.823711
  C      -0.716410     -1.543588      5.040641
  O      -0.352739     -0.897668      5.994231
  Cl      0.588247     -2.100684      3.828189
  C      -6.135657     -5.843353      4.606034
  C      -7.097881     -6.720074      5.151110
  C      -8.345057     -6.226996      5.507126
  C      -8.663756     -4.869479      5.312887
  C      -7.731061     -3.992279      4.776414
  C      -6.453394     -4.468068      4.427622
  N      -5.454519     -3.734554      3.813211
  C      -5.599600     -2.370396      3.765773
  C      -5.340554     -1.642628      2.585084
  O      -5.165910     -2.007349      1.439159
  Cl     -5.363267      0.189531      2.943960
  C      -1.229062     -4.979412      5.607876
  C       0.100617     -5.106997      6.073845
  C       0.408214     -4.729985      7.368986
  C      -0.588336     -4.211111      8.224444
  C      -1.896287     -4.089954      7.794158
  C      -2.244157     -4.495628      6.487829
  N      -3.497013     -4.396182      5.929842
  C      -4.600099     -4.240122      6.712190
  C      -4.835187     -5.006557      7.891914
  O      -4.206033     -5.908876      8.400386
  Cl     -6.442806     -4.480580      8.664732
  H      -2.599313     -3.288568     -0.774034
  H      -1.577697     -1.098416     -1.194813
  H      -1.160612      0.499291      0.673574
  H      -1.623738     -0.178290      3.015205
  H      -2.604951     -2.168383      5.739782
  H      -6.858871     -7.770823      5.311978
  H      -9.085827     -6.900051      5.940517
  H      -9.656383     -4.503863      5.578271
  H      -7.991148     -2.950305      4.590716
  H      -6.042750     -1.846224      4.614648
  H       0.885914     -5.455037      5.404636
  H       1.438151     -4.800610      7.720762
  H      -0.319112     -3.879024      9.227650
  H      -2.658018     -3.659559      8.442815
  H      -5.416511     -3.628325      6.344543
  N      -7.315659     -5.558571      1.490677
  N      -8.314015     -5.118676      1.330530
73
Coordinates from ORCA-job orca E -7352.690553146588
  N      -3.242339     -4.189566      1.775195
  C      -3.718068     -5.112089      0.751409
  C      -3.823076     -6.509835      1.369572
  N      -2.964108     -6.535788      2.578695
  C      -3.199867     -7.726834      3.429955
  C      -4.566145     -7.603145      4.077357
  N      -4.883628     -6.183353      4.176236
  Mo     -3.535662     -4.701618      3.757367
  N      -1.667055     -5.269315      4.354213
  C      -0.741179     -5.937565      3.443840
  C      -1.523001     -6.430122      2.227282
  H      -0.251508     -6.773126      3.971029
  H       0.054197     -5.246552      3.119822
  H      -1.162702     -7.413103      1.883529
  H      -1.426648     -5.724647      1.397506
  H      -5.345620     -8.110247      3.483720
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  H      -3.021752     -5.126239     -0.100884
  H      -4.698506     -4.782548      0.371013
  H      -3.504518     -7.293413      0.661958
  H      -4.849120     -6.720156      1.687224
  C      -2.624075     -3.048370      1.397541
  C      -2.337531     -2.647117      0.065204
  C      -1.780368     -1.407205     -0.168507
  C      -1.525265     -0.503581      0.892386
  C      -1.771091     -0.878369      2.194013
  C      -2.259778     -2.176845      2.472156
  N      -2.545991     -2.654533      3.721169
  C      -2.021067     -2.100757      4.822409
  C      -0.713516     -1.549738      5.040228
  O      -0.346319     -0.908656      5.995610
  Cl      0.594387     -2.138077      3.844911
  C      -6.132658     -5.846595      4.609516
  C      -7.092592     -6.724136      5.157045
  C      -8.339437     -6.231970      5.515565
  C      -8.659639     -4.874977      5.320599
  C      -7.729277     -3.997235      4.781012
  C      -6.451636     -4.471862      4.430289
  N      -5.455088     -3.737727      3.811800
  C      -5.603868     -2.374002      3.763311
  C      -5.351222     -1.647132      2.580599
  O      -5.182845     -2.012595      1.434062
  Cl     -5.381868      0.185525      2.936968
  C      -1.228705     -4.978371      5.608876
  C       0.100153     -5.108431      6.076789
  C       0.407649     -4.728564      7.371007
  C      -0.588466     -4.204666      8.224131
  C      -1.895681     -4.081805      7.792374
  C      -2.243654     -4.490260      6.486817
  N      -3.496249     -4.390799      5.928616
  C      -4.599829     -4.231869      6.709727
  C      -4.836785     -4.996125      7.890449
  O      -4.210693     -5.900540      8.398945
  Cl     -6.445754     -4.468871      8.659689
  H      -2.601631     -3.286831     -0.774741
  H      -1.582596     -1.095487     -1.195428
  H      -1.166894      0.502288      0.673075
  H      -1.627953     -0.177072      3.015146
  H      -2.605999     -2.162972      5.737905
  H      -6.851628     -7.774500      5.317517
  H      -9.078648     -6.905194      5.951341
  H      -9.651978     -4.509898      5.587858
  H      -7.991463     -2.955889      4.594852
  H      -6.046257     -1.850000      4.612622
  H       0.884745     -5.461116      5.409130
  H       1.436972     -4.801071      7.724194
  H      -0.319201     -3.870487      9.226624
  H      -2.656994     -3.647979      8.439243
  H      -5.414841     -3.618817      6.341064
  N      -7.309273     -5.534592      1.471976
  N      -8.300559     -5.076076      1.320753
73
Coordinates from ORCA-job orca E -7352.690587693387
  N      -3.243275     -4.191485      1.775285
  C      -3.717950     -5.115978      0.752313
  C      -3.824297     -6.513153      1.372212
  N      -2.965184     -6.537880      2.580607
  C      -3.198721     -7.727591      3.434361
  C      -4.564633     -7.603333      4.083850
  N      -4.884008     -6.184010      4.176361
  Mo     -3.535939     -4.702261      3.757418
  N      -1.668006     -5.269099      4.354375
  C      -0.741081     -5.932334      3.441854
  C      -1.523764     -6.432358      2.228630
  H      -0.243493     -6.763879      3.967799
  H       0.047808     -5.235494      3.114414
  H      -1.162139     -7.416862      1.890689
  H      -1.428218     -5.731848      1.394657
  H      -5.344420     -8.114972      3.494311
  H      -4.545518     -8.079310      5.078570
  H      -3.107109     -8.645778      2.831711
  H      -2.412220     -7.731126      4.197648
  H      -3.020685     -5.131373     -0.099148
  H      -4.697974     -4.786714      0.370666
  H      -3.506445     -7.298021      0.665704
  H      -4.851787     -6.723763      1.690696
  C      -2.625130     -3.050540      1.396634
  C      -2.339189     -2.650067      0.064037
  C      -1.782024     -1.410226     -0.170395
  C      -1.526436     -0.506205      0.889893
  C      -1.771837     -0.880094      2.191949
  C      -2.260538     -2.178364      2.470850
  N      -2.546196     -2.655566      3.720210
  C      -2.021665     -2.101635      4.821514
  C      -0.714874     -1.548439      5.038981
  O      -0.349916     -0.900320      5.990512
  Cl      0.590884     -2.119415      3.833162
  C      -6.132913     -5.847539      4.609145
  C      -7.093390     -6.725239      5.156018
  C      -8.340024     -6.233023      5.515120
  C      -8.659937     -4.875708      5.321808
  C      -7.729352     -3.997828      4.782893
  C      -6.451927     -4.472414      4.431430
  N      -5.455748     -3.738289      3.813344
  C      -5.604200     -2.374598      3.764971
  C      -5.353288     -1.647454      2.582086
  O      -5.184641     -2.012769      1.435463
  Cl     -5.374883      0.184856      2.939794
  C      -1.229399     -4.978793      5.609175
  C       0.099863     -5.107144      6.076258
  C       0.407383     -4.727860      7.370672
  C      -0.589168     -4.206182      8.224614
  C      -1.896712     -4.084783      7.793389
  C      -2.244452     -4.492669      6.487670
  N      -3.497000     -4.393399      5.929285
  C      -4.600484     -4.236702      6.710856
  C      -4.836932     -5.002994      7.890404
  O      -4.211719     -5.909742      8.395848
  Cl     -6.451296     -4.484930      8.654498
  H      -2.603756     -3.290137     -0.775497
  H      -1.584868     -1.098984     -1.197584
  H      -1.167907      0.499502      0.670032
  H      -1.628390     -0.178159      3.012465
  H      -2.606306     -2.164850      5.737097
  H      -6.853143     -7.775916      5.315402
  H      -9.079400     -6.906549      5.950166
  H      -9.652166     -4.510677      5.589522
  H      -7.991333     -2.956285      4.597481
  H      -6.045435     -1.850355      4.614762
  H       0.884900     -5.457740      5.408044
  H       1.437043     -4.798908      7.723151
  H      -0.320116     -3.872458      9.227318
  H      -2.658407     -3.652450      8.440798
  H      -5.416683     -3.625137      6.342316
  N      -7.295411     -5.504067      1.456507
  N      -8.278004     -5.024536      1.314600
73
Coordinates from ORCA-job orca E -7352.690367174804
  N      -3.246465     -4.195967      1.775380
  C      -3.717192     -5.123683      0.753544
  C      -3.824892     -6.518535      1.377564
  N      -2.964462     -6.541128      2.584730
  C      -3.196311     -7.728807      3.441248
  C      -4.558568     -7.605426      4.087683
  N      -4.884428     -6.188446      4.175143
  Mo     -3.537476     -4.705214      3.758442
  N      -1.668450     -5.269866      4.355761
  C      -0.741240     -5.929249      3.441911
  C      -1.523804     -6.434387      2.231207
  H      -0.239158     -6.757250      3.966770
  H       0.042747     -5.229440      3.112506
  H      -1.160038     -7.419049      1.896503
  H      -1.430388     -5.737090      1.395055
  H      -5.330238     -8.120260      3.502065
  H      -4.539979     -8.075121      5.078412
  H      -3.101244     -8.644455      2.846274
  H      -2.415695     -7.729265      4.202875
  H      -3.017686     -5.141289     -0.094906
  H      -4.695576     -4.796508      0.367894
  H      -3.511305     -7.305806      0.672600
  H      -4.849402     -6.724348      1.697963
  C      -2.630353     -3.054381      1.395548
  C      -2.346631     -2.654046      0.062508
  C      -1.791278     -1.413563     -0.172718
  C      -1.535068     -0.509224      0.887172
  C      -1.778191     -0.883027      2.189664
  C      -2.265362     -2.181659      2.469320
  N      -2.548322     -2.659585      3.719101
  C      -2.022466     -2.104629      4.819379
  C      -0.715952     -1.549996      5.033819
  O      -0.348532     -0.905131      5.985864
  Cl      0.587550     -2.123873      3.827745
  C      -6.133413     -5.852866      4.607971
  C      -7.093216     -6.731240      5.154894
  C      -8.339681     -6.239651      5.515340
  C      -8.659989     -4.882221      5.323649
  C      -7.730274     -4.003640      4.784631
  C      -6.452967     -4.477335      4.431625
  N      -5.457409     -3.741999      3.813844
  C      -5.605695     -2.378640      3.765158
  C      -5.352873     -1.652300      2.582692
  O      -5.183702     -2.018100      1.436472
  Cl     -5.376914      0.179323      2.938894
  C      -1.229794     -4.978143      5.610014
  C       0.099864     -5.103184      6.076444
  C       0.407326     -4.723036      7.370568
  C      -0.589735     -4.203767      8.225190
  C      -1.897585     -4.085477      7.794646
  C      -2.245139     -4.494030      6.489067
  N      -3.498035     -4.396796      5.931180
  C      -4.601429     -4.241892      6.713112
  C      -4.835904     -5.007321      7.893616
  O      -4.207553     -5.911173      8.400622
  Cl     -6.446739     -4.485866      8.662542
  H      -2.611720     -3.294631     -0.776491
  H      -1.596014     -1.102094     -1.200163
  H      -1.177879      0.496803      0.666605
  H      -1.634086     -0.180959      3.009909
  H      -2.605136     -2.168497      5.736076
  H      -6.852614     -7.782124      5.312769
  H      -9.078567     -6.913766      5.950245
  H      -9.651849     -4.517422      5.593083
  H      -7.993081     -2.962051      4.600683
  H      -6.046791     -1.853544      4.614325
  H       0.885143     -5.451685      5.407722
  H       1.437255     -4.791427      7.722373
  H      -0.320757     -3.869297      9.227697
  H      -2.659689     -3.654708      8.442409
  H      -5.419046     -3.631865      6.344947
  N      -7.275501     -5.434978      1.422011
  N      -8.238535     -4.901096      1.283254
73
Coordinates from ORCA-job orca E -7352.688232550636
  N      -3.251832     -4.200849      1.781624
  C      -3.728555     -5.128831      0.764385
  C      -3.826468     -6.522355      1.390124
  N      -2.960555     -6.543921      2.593632
  C      -3.189277     -7.734204      3.446035
  C      -4.575700     -7.618112      4.093674
  N      -4.887677     -6.191932      4.182417
  Mo     -3.535856     -4.709230      3.765585
  N      -1.660482     -5.267327      4.358167
  C      -0.732600     -5.931160      3.446111
  C      -1.520859     -6.436450      2.235563
  H      -0.229613     -6.760018      3.974493
  H       0.054384     -5.232690      3.112066
  H      -1.159753     -7.420677      1.895544
  H      -1.428559     -5.734925      1.400313
  H      -5.372461     -8.132211      3.484498
  H      -4.565495     -8.102799      5.111421
  H      -3.084256     -8.667136      2.829596
  H      -2.388907     -7.726341      4.224169
  H      -3.038244     -5.144797     -0.094639
  H      -4.712799     -4.801868      0.389267
  H      -3.505687     -7.307627      0.685362
  H      -4.844152     -6.736994      1.717584
  C      -2.638222     -3.059981      1.395970
  C      -2.360893     -2.662863      0.060527
  C      -1.808728     -1.421771     -0.180530
  C      -1.549752     -0.514918      0.876631
  C      -1.786787     -0.886599      2.181192
  C      -2.271403     -2.185234      2.465742
  N      -2.549014     -2.661126      3.717267
  C      -2.021198     -2.100805      4.813739
  C      -0.715567     -1.540517      5.022725
  O      -0.346096     -0.897740      5.976881
  Cl      0.586316     -2.120350      3.819401
  C      -6.139936     -5.857032      4.605618
  C      -7.105540     -6.739406      5.140796
  C      -8.355434     -6.248929      5.489962
  C      -8.672608     -4.889162      5.299502
  C      -7.737508     -4.007469      4.770545
  C      -6.458482     -4.481800      4.425945
  N      -5.457678     -3.745346      3.818055
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  C      -5.331694     -1.642788      2.607057
  O      -5.155555     -1.999896      1.458370
  Cl     -5.354118      0.189860      2.977752
  C      -1.221769     -4.971046      5.611900
  C       0.110343     -5.090584      6.078139
  C       0.417375     -4.709469      7.372443
  C      -0.582767     -4.194637      8.227740
  C      -1.892700     -4.081692      7.797269
  C      -2.239473     -4.490998      6.491450
  N      -3.494862     -4.399769      5.934863
  C      -4.598627     -4.251636      6.719356
  C      -4.826057     -5.019881      7.899670
  O      -4.184832     -5.911614      8.412330
  Cl     -6.421183     -4.485911      8.690333
  H      -2.628114     -3.306539     -0.775567
  H      -1.618169     -1.112600     -1.209725
  H      -1.195334      0.491502      0.652697
  H      -1.640424     -0.182189      2.999332
  H      -2.601517     -2.163209      5.731790
  H      -6.867743     -7.792599      5.297484
  H      -9.099203     -6.925955      5.915798
  H      -9.666384     -4.524511      5.561549
  H      -7.997336     -2.963761      4.587581
  H      -6.045296     -1.859467      4.630898
  H       0.897847     -5.436047      5.408934
  H       1.449118     -4.773751      7.723986
  H      -0.314476     -3.859296      9.230391
  H      -2.657822     -3.654802      8.445121
  H      -5.419985     -3.644303      6.354517
  N      -7.261179     -5.393159      1.367748
  N      -8.199145     -4.788509      1.254773
73
Coordinates from ORCA-job orca E -7352.683636669503
  N      -3.257721     -4.197712      1.777286
  C      -3.737108     -5.129530      0.763256
  C      -3.838453     -6.517712      1.399702
  N      -2.959373     -6.530131      2.593901
  C      -3.175033     -7.718672      3.452676
  C      -4.563995     -7.605206      4.097188
  N      -4.887451     -6.187254      4.180919
  Mo     -3.544611     -4.699086      3.762445
  N      -1.667668     -5.261845      4.349959
  C      -0.738198     -5.927076      3.438800
  C      -1.523220     -6.419357      2.223441
  H      -0.244640     -6.763115      3.967484
  H       0.058301     -5.235226      3.110418
  H      -1.162029     -7.399612      1.872044
  H      -1.436638     -5.707977      1.394863
  H      -5.348400     -8.124611      3.497010
  H      -4.546908     -8.082917      5.101976
  H      -3.065781     -8.652440      2.841044
  H      -2.376761     -7.703585      4.225118
  H      -3.045867     -5.155608     -0.098426
  H      -4.725108     -4.807059      0.384985
  H      -3.520454     -7.311662      0.696611
  H      -4.857543     -6.717531      1.747643
  C      -2.640247     -3.060953      1.397029
  C      -2.357247     -2.664882      0.062613
  C      -1.800074     -1.426412     -0.176249
  C      -1.541403     -0.519611      0.881732
  C      -1.786038     -0.887933      2.184848
  C      -2.277672     -2.184236      2.469113
  N      -2.560389     -2.657071      3.718437
  C      -2.033403     -2.103355      4.819068
  C      -0.724439     -1.559875      5.037004
  O      -0.346732     -0.928818      5.999023
  Cl      0.579433     -2.152896      3.835104
  C      -6.143235     -5.859395      4.597315
  C      -7.105497     -6.738529      5.137523
  C      -8.355098     -6.245796      5.486786
  C      -8.678930     -4.888941      5.290533
  C      -7.747892     -4.011679      4.755057
  C      -6.468097     -4.487458      4.414690
  N      -5.463458     -3.749538      3.818929
  C      -5.606690     -2.382076      3.787249
  C      -5.311683     -1.627568      2.629461
  O      -5.109070     -1.969429      1.482827
  Cl     -5.335919      0.201304      3.025579
  C      -1.229477     -4.968954      5.602456
  C       0.101493     -5.097914      6.067262
  C       0.410448     -4.721905      7.361831
  C      -0.584388     -4.201309      8.217818
  C      -1.892578     -4.078561      7.789093
  C      -2.244334     -4.485169      6.483275
  N      -3.498387     -4.392591      5.928528
  C      -4.596679     -4.237392      6.716596
  C      -4.820768     -5.010407      7.894306
  O      -4.169031     -5.886233      8.415527
  Cl     -6.377528     -4.439213      8.719722
  H      -2.623654     -3.309001     -0.773384
  H      -1.602929     -1.119266     -1.204323
  H      -1.179329      0.484112      0.659544
  H      -1.638341     -0.182917      3.002303
  H      -2.620290     -2.163984      5.734629
  H      -6.863099     -7.785591      5.309374
  H      -9.093020     -6.917618      5.921862
  H      -9.673450     -4.523533      5.551226
  H      -8.009700     -2.969499      4.567483
  H      -6.066014     -1.872756      4.635844
  H       0.884979     -5.449279      5.397457
  H       1.440015     -4.795459      7.713637
  H      -0.313288     -3.870999      9.220876
  H      -2.654101     -3.650714      8.438581
  H      -5.411814     -3.622872      6.356510
  N      -7.274667     -5.438974      1.343846
  N      -8.197212     -4.934327      1.217755
73
Coordinates from ORCA-job orca E -7352.689132823046
  N      -3.251922     -4.198572      1.776090
  C      -3.729458     -5.128120      0.758005
  C      -3.829181     -6.525127      1.381408
  N      -2.965844     -6.541126      2.589185
  C      -3.196295     -7.724958      3.452911
  C      -4.548383     -7.601399      4.089748
  N      -4.881030     -6.187530      4.182163
  Mo     -3.538819     -4.702045      3.762398
  N      -1.668711     -5.264975      4.357795
  C      -0.744673     -5.928752      3.444552
  C      -1.526773     -6.430382      2.233380
  H      -0.247793     -6.758615      3.970002
  H       0.042373     -5.232732      3.116541
  H      -1.161233     -7.413199      1.894950
  H      -1.437595     -5.730173      1.400026
  H      -5.304141     -8.111429      3.505617
  H      -4.532967     -8.070057      5.064632
  H      -3.101071     -8.631155      2.874472
  H      -2.432055     -7.722210      4.208900
  H      -3.037414     -5.143130     -0.095177
  H      -4.711654     -4.805343      0.380898
  H      -3.515606     -7.310739      0.675119
  H      -4.858134     -6.738045      1.705918
  C      -2.632065     -3.059753      1.392620
  C      -2.348643     -2.662419      0.058334
  C      -1.787772     -1.424954     -0.179623
  C      -1.524972     -0.519669      0.878056
  C      -1.767943     -0.889671      2.181544
  C      -2.261134     -2.185491      2.464416
  N      -2.545289     -2.659363      3.715616
  C      -2.015857     -2.103803      4.814876
  C      -0.706485     -1.555293      5.026279
  O      -0.333485     -0.907988      5.974103
  Cl      0.592849     -2.127600      3.810246
  C      -6.132657     -5.856067      4.609758
  C      -7.092183     -6.737014      5.153545
  C      -8.340571     -6.250101      5.511560
  C      -8.663900     -4.895121      5.318512
  C      -7.734527     -4.013382      4.783078
  C      -6.454275     -4.481682      4.434373
  N      -5.457518     -3.740089      3.823560
  C      -5.610771     -2.376945      3.785757
  C      -5.363223     -1.638551      2.610563
  O      -5.198231     -1.991142      1.459318
  Cl     -5.389776      0.187614      2.988168
  C      -1.227911     -4.970904      5.611029
  C       0.101159     -5.097094      6.076829
  C       0.409010     -4.716588      7.370380
  C      -0.586947     -4.195993      8.225583
  C      -1.894027     -4.076352      7.796116
  C      -2.241743     -4.484835      6.490973
  N      -3.494932     -4.389971      5.934578
  C      -4.600705     -4.240077      6.715329
  C      -4.835453     -5.010564      7.893634
  O      -4.203414     -5.917970      8.395519
  Cl     -6.470941     -4.520698      8.645070
  H      -2.617468     -3.303105     -0.779371
  H      -1.592144     -1.116061     -1.207889
  H      -1.162448      0.483859      0.654541
  H      -1.618788     -0.187291      3.000501
  H      -2.598391     -2.161533      5.732440
  H      -6.848374     -7.785426      5.312300
  H      -9.079102     -6.926155      5.944493
  H      -9.657850     -4.534936      5.583888
  H      -7.999920     -2.973988      4.598125
  H      -6.055339     -1.861365      4.639510
  H       0.884958     -5.447346      5.408014
  H       1.438047     -4.786430      7.722002
  H      -0.317535     -3.862436      9.228022
  H      -2.655813     -3.645943      8.444919
  H      -5.423133     -3.635309      6.344305
  N      -7.266837     -5.401359      1.367419
  N      -8.212734     -4.848235      1.231201
73
Coordinates from ORCA-job orca E -7352.689502784352
  N      -3.250981     -4.192905      1.781133
  C      -3.724884     -5.120509      0.761377
  C      -3.831774     -6.513341      1.388530
  N      -2.962410     -6.540234      2.589462
  C      -3.187021     -7.730152      3.444037
  C      -4.563163     -7.610806      4.093753
  N      -4.885761     -6.190461      4.180800
  Mo     -3.536323     -4.703570      3.764465
  N      -1.658774     -5.265095      4.354220
  C      -0.734772     -5.936904      3.445015
  C      -1.523700     -6.427984      2.231064
  H      -0.246254     -6.773192      3.972487
  H       0.062174     -5.249394      3.116253
  H      -1.160605     -7.407007      1.879042
  H      -1.432496     -5.716403      1.406026
  H      -5.347072     -8.126139      3.495845
  H      -4.548645     -8.083004      5.102112
  H      -3.083931     -8.666167      2.835261
  H      -2.386727     -7.720115      4.220023
  H      -3.030489     -5.138387     -0.091962
  H      -4.705243     -4.791898      0.381056
  H      -3.524918     -7.301608      0.683187
  H      -4.848513     -6.714375      1.720062
  C      -2.633578     -3.052602      1.395977
  C      -2.355920     -2.654258      0.061206
  C      -1.800741     -1.413989     -0.178203
  C      -1.538328     -0.509839      0.879658
  C      -1.774939     -0.883266      2.183997
  C      -2.262530     -2.180766      2.466557
  N      -2.542271     -2.656860      3.718078
  C      -2.011543     -2.099051      4.814207
  C      -0.703713     -1.543338      5.021740
  O      -0.333573     -0.899152      5.973202
  Cl      0.592111     -2.120108      3.813393
  C      -6.137607     -5.856380      4.605539
  C      -7.100204     -6.735840      5.144904
  C      -8.349100     -6.244653      5.498690
  C      -8.669286     -4.887362      5.307541
  C      -7.737829     -4.008349      4.773811
  C      -6.458421     -4.481590      4.427527
  N      -5.457778     -3.743808      3.822158
  C      -5.605303     -2.380018      3.788816
  C      -5.341898     -1.639472      2.617638
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  Cl     -5.365972      0.189279      2.998198
  C      -1.222795     -4.975482      5.609846
  C       0.105872     -5.104628      6.078771
  C       0.411448     -4.728648      7.374303
  C      -0.586576     -4.208269      8.228787
  C      -1.893414     -4.086659      7.795948
  C      -2.239148     -4.493340      6.489610
  N      -3.492257     -4.394288      5.931955
  C      -4.595417     -4.234299      6.710639
  C      -4.840084     -4.992783      7.891115
  O      -4.224799     -5.895574      8.405670
  Cl     -6.434522     -4.444973      8.657994
  H      -2.625045     -3.295137     -0.776168
  H      -1.610787     -1.103521     -1.207117
  H      -1.181651      0.495870      0.656710
  H      -1.626670     -0.180654      3.003063
  H      -2.589701     -2.159037      5.733080
  H      -6.859129     -7.786741      5.302478
  H      -9.089747     -6.919002      5.928867
  H      -9.662766     -4.522543      5.572579
  H      -8.000244     -2.966257      4.591508
  H      -6.052727     -1.863733      4.639277
  H       0.892289     -5.453692      5.410400
  H       1.440904     -4.800436      7.727470
  H      -0.318747     -3.875956      9.232338
  H      -2.657066     -3.655725      8.442666
  H      -5.407154     -3.623124      6.338168
  N      -7.285107     -5.473111      1.363759
  N      -8.261962     -4.950930      1.234991
73
Coordinates from ORCA-job orca E -7352.690189645760
  N      -3.249255     -4.196035      1.779346
  C      -3.720676     -5.123441      0.757296
  C      -3.828377     -6.517670      1.380706
  N      -2.967103     -6.541047      2.587885
  C      -3.202731     -7.729115      3.440631
  C      -4.571814     -7.612007      4.092405
  N      -4.887187     -6.187470      4.184256
  Mo     -3.537334     -4.703701      3.763486
  N      -1.666240     -5.269184      4.357225
  C      -0.742049     -5.939731      3.448068
  C      -1.526060     -6.435559      2.234336
  H      -0.250626     -6.772939      3.976686
  H       0.051658     -5.249490      3.119245
  H      -1.164082     -7.418008      1.891100
  H      -1.430514     -5.730552      1.404465
  H      -5.360921     -8.125774      3.490063
  H      -4.557987     -8.098189      5.097599
  H      -3.112881     -8.639996      2.838907
  H      -2.421001     -7.733638      4.197965
  H      -3.020980     -5.140992     -0.092292
  H      -4.700106     -4.796771      0.372296
  H      -3.509232     -7.304849      0.676816
  H      -4.854514     -6.725875      1.703652
  C      -2.631545     -3.056185      1.397381
  C      -2.351165     -2.657418      0.063296
  C      -1.794465     -1.417915     -0.174302
  C      -1.534140     -0.513353      0.884268
  C      -1.774721     -0.885560      2.187896
  C      -2.263097     -2.183237      2.469640
  N      -2.545102     -2.658982      3.720125
  C      -2.019483     -2.102757      4.819841
  C      -0.712117     -1.549286      5.035304
  O      -0.344841     -0.902089      5.988125
  Cl      0.591991     -2.121573      3.827069
  C      -6.139282     -5.852166      4.608335
  C      -7.105876     -6.732334      5.144948
  C      -8.354521     -6.239483      5.496692
  C      -8.671107     -4.878612      5.307808
  C      -7.735422     -3.998538      4.778291
  C      -6.456559     -4.474677      4.433221
  N      -5.455571     -3.740860      3.824318
  C      -5.599731     -2.375797      3.781930
  C      -5.343540     -1.643995      2.601970
  O      -5.175934     -2.003988      1.452485
  Cl     -5.359377      0.188107      2.969614
  C      -1.224217     -4.969800      5.609656
  C       0.108606     -5.089447      6.074480
  C       0.419737     -4.700808      7.366185
  C      -0.577700     -4.180595      8.220436
  C      -1.889195     -4.069762      7.792251
  C      -2.238600     -4.484067      6.488665
  N      -3.495035     -4.395183      5.933418
  C      -4.598865     -4.252504      6.720503
  C      -4.818396     -5.025147      7.901428
  O      -4.165746     -5.918126      8.408713
  Cl     -6.445851     -4.535810      8.674229
  H      -2.619594     -3.298104     -0.774604
  H      -1.601938     -1.107646     -1.202665
  H      -1.175563      0.491866      0.662381
  H      -1.627478     -0.182569      3.007002
  H      -2.603455     -2.164032      5.736013
  H      -6.869466     -7.786458      5.301194
  H      -9.098687     -6.915668      5.922883
  H      -9.664980     -4.513378      5.569820
  H      -7.994211     -2.954539      4.594708
  H      -6.041981     -1.853788      4.633626
  H       0.893935     -5.439166      5.405971
  H       1.452802     -4.763374      7.716126
  H      -0.306379     -3.840036      9.220772
  H      -2.652564     -3.639349      8.439104
  H      -5.428254     -3.652169      6.355567
  N      -7.273666     -5.447717      1.378395
  N      -8.233222     -4.922290      1.246997
73
Coordinates from ORCA-job orca E -7352.688815663856
  N      -3.249272     -4.195981      1.772169
  C      -3.723680     -5.127070      0.752533
  C      -3.825805     -6.524117      1.375848
  N      -2.962331     -6.539168      2.583194
  C      -3.180788     -7.724629      3.451723
  C      -4.541910     -7.591602      4.093331
  N      -4.878679     -6.184720      4.177048
  Mo     -3.540045     -4.699288      3.755144
  N      -1.672437     -5.260646      4.350633
  C      -0.743112     -5.922469      3.438808
  C      -1.522837     -6.426285      2.226467
  H      -0.243882     -6.753193      3.966863
  H       0.045309     -5.223755      3.111078
  H      -1.156500     -7.409856      1.890161
  H      -1.433918     -5.726550      1.390193
  H      -5.295531     -8.106359      3.528831
  H      -4.514410     -8.042389      5.064631
  H      -3.078505     -8.657305      2.861309
  H      -2.391878     -7.712240      4.222582
  H      -3.026487     -5.144101     -0.099838
  H      -4.706661     -4.803878      0.370200
  H      -3.508390     -7.310625      0.667640
  H      -4.859805     -6.740196      1.700385
  C      -2.630235     -3.056779      1.391486
  C      -2.341251     -2.660518      0.058275
  C      -1.781144     -1.422428     -0.178590
  C      -1.525518     -0.514924      0.879083
  C      -1.774387     -0.883434      2.181618
  C      -2.265825     -2.180159      2.464067
  N      -2.554390     -2.652013      3.714135
  C      -2.028959     -2.099853      4.816260
  C      -0.719660     -1.554005      5.035101
  O      -0.352742     -0.905211      5.985720
  Cl      0.586669     -2.126998      3.827521
  C      -6.127151     -5.854120      4.614235
  C      -7.080775     -6.733730      5.167934
  C      -8.328456     -6.248625      5.530217
  C      -8.657805     -4.896673      5.331811
  C      -7.732977     -4.015370      4.789112
  C      -6.453262     -4.482003      4.436929
  N      -5.462534     -3.742525      3.815676
  C      -5.618408     -2.379592      3.765710
  C      -5.367436     -1.647184      2.584719
  O      -5.191188     -2.008294      1.438666
  Cl     -5.393693      0.183562      2.947985
  C      -1.236189     -4.976479      5.606341
  C       0.089160     -5.115028      6.073994
  C       0.393535     -4.747733      7.371129
  C      -0.600708     -4.225407      8.226460
  C      -1.903502     -4.091352      7.793803
  C      -2.250023     -4.489990      6.485481
  N      -3.499513     -4.384779      5.926689
  C      -4.602090     -4.226490      6.708563
  C      -4.839334     -4.995545      7.887191
  O      -4.216884     -5.906396      8.388753
  Cl     -6.457528     -4.482424      8.649784
  H      -2.604794     -3.302908     -0.779921
  H      -1.580504     -1.115179     -1.206201
  H      -1.163441      0.489018      0.656643
  H      -1.630656     -0.179024      2.999937
  H      -2.615697     -2.161447      5.733005
  H      -6.834176     -7.780874      5.330437
  H      -9.062398     -6.924673      5.969603
  H      -9.651719     -4.538263      5.599053
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  H      -6.066806     -1.858555      4.614461
  H       0.872253     -5.468047      5.405599
  H       1.418481     -4.830435      7.725340
  H      -0.333739     -3.902312      9.232128
  H      -2.663419     -3.659975      8.443345
  H      -5.417057     -3.613105      6.340626
  N      -7.283553     -5.390542      1.403808
  N      -8.220451     -4.838875      1.289050
73
Coordinates from ORCA-job orca E -7352.690489532265
  N      -3.247080     -4.197675      1.776123
  C      -3.717397     -5.126450      0.754654
  C      -3.824212     -6.521103      1.380136
  N      -2.962221     -6.541497      2.586092
  C      -3.189599     -7.729164      3.443270
  C      -4.556021     -7.609426      4.091474
  N      -4.882134     -6.191648      4.177442
  Mo     -3.537522     -4.705487      3.758915
  N      -1.666143     -5.267767      4.352881
  C      -0.738961     -5.931496      3.441636
  C      -1.521851     -6.432587      2.230010
  H      -0.241903     -6.762134      3.968508
  H       0.050064     -5.236374      3.112363
  H      -1.157126     -7.415273      1.890457
  H      -1.429754     -5.731018      1.397065
  H      -5.332366     -8.127829      3.500163
  H      -4.539553     -8.082470      5.088945
  H      -3.092302     -8.647125      2.847943
  H      -2.406243     -7.724981      4.204014
  H      -3.018428     -5.144013     -0.095127
  H      -4.697350     -4.800755      0.370104
  H      -3.506432     -7.308992      0.676605
  H      -4.848957     -6.726790      1.702261
  C      -2.631838     -3.056262      1.395564
  C      -2.349871     -2.656485      0.062180
  C      -1.796932     -1.414952     -0.174342
  C      -1.541162     -0.509516      0.884505
  C      -1.782445     -0.882731      2.187568
  C      -2.267780     -2.181891      2.468602
  N      -2.550483     -2.658247      3.718825
  C      -2.025004     -2.103367      4.818961
  C      -0.718656     -1.547714      5.033081
  O      -0.351879     -0.902756      5.985858
  Cl      0.584836     -2.119913      3.827027
  C      -6.130995     -5.858598      4.610101
  C      -7.088483     -6.735977      5.159935
  C      -8.335106     -6.245172      5.520795
  C      -8.659508     -4.890960      5.325227
  C      -7.732053     -4.013070      4.783667
  C      -6.453692     -4.484697      4.432800
  N      -5.458005     -3.748702      3.817619
  C      -5.608541     -2.385161      3.769847
  C      -5.354255     -1.654250      2.590896
  O      -5.180057     -2.014785      1.445271
  Cl     -5.384192      0.176024      2.952617
  C      -1.230281     -4.980059      5.608388
  C       0.097933     -5.108570      6.075823
  C       0.403822     -4.731928      7.371038
  C      -0.592786     -4.211643      8.225250
  C      -1.899114     -4.089708      7.793472
  C      -2.246111     -4.497185      6.487519
  N      -3.497047     -4.397051      5.928174
  C      -4.597377     -4.231483      6.708336
  C      -4.841598     -4.992078      7.886749
  O      -4.232715     -5.900495      8.395835
  Cl     -6.430718     -4.440151      8.657383
  H      -2.614836     -3.297959     -0.776144
  H      -1.603563     -1.103870     -1.202248
  H      -1.185526      0.497138      0.663237
  H      -1.638843     -0.179150      3.006627
  H      -2.607624     -2.167551      5.735781
  H      -6.845403     -7.783594      5.322952
  H      -9.071099     -6.917595      5.959522
  H      -9.652286     -4.527920      5.593675
  H      -7.996936     -2.973577      4.596881
  H      -6.054285     -1.863671      4.617591
  H       0.883443     -5.457394      5.407437
  H       1.432517     -4.803379      7.723779
  H      -0.324539     -3.879359      9.228519
  H      -2.661042     -3.658593      8.440655
  H      -5.404305     -3.613723      6.338673
  N      -7.270555     -5.398046      1.389331
  N      -8.215112     -4.842570      1.266877
73
Coordinates from ORCA-job orca E -7352.689540399523
  N      -3.251828     -4.193398      1.779138
  C      -3.725678     -5.121807      0.759232
  C      -3.833353     -6.514380      1.386053
  N      -2.968950     -6.541685      2.589622
  C      -3.200577     -7.731615      3.443774
  C      -4.571280     -7.608177      4.096497
  N      -4.891339     -6.188313      4.183567
  Mo     -3.541951     -4.702278      3.762153
  N      -1.667244     -5.264316      4.355553
  C      -0.742578     -5.940902      3.450493
  C      -1.528946     -6.433514      2.235178
  H      -0.257325     -6.777826      3.983198
  H       0.058135     -5.255461      3.122181
  H      -1.167105     -7.414863      1.886982
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  H      -3.029881     -5.141067     -0.093515
  H      -4.706100     -4.793673      0.377783
  H      -3.525420     -7.302768      0.680026
  H      -4.854334     -6.720710      1.714550
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  C      -2.340971     -2.662508      0.060821
  C      -1.776161     -1.427015     -0.177552
  C      -1.515371     -0.522049      0.880375
  C      -1.763789     -0.889783      2.184042
  C      -2.259948     -2.183639      2.466434
  N      -2.548688     -2.654816      3.717242
  C      -2.021113     -2.096588      4.814993
  C      -0.711419     -1.550338      5.029221
  O      -0.341924     -0.900693      5.978425
  Cl      0.587101     -2.134980      3.826867
  C      -6.145268     -5.853493      4.604812
  C      -7.113122     -6.737207      5.137722
  C      -8.363913     -6.247473      5.486404
  C      -8.680089     -4.883794      5.300726
  C      -7.744173     -4.001304      4.773241
  C      -6.464831     -4.476377      4.427249
  N      -5.464705     -3.738757      3.818290
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  C      -5.336728     -1.637698      2.604610
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  Cl     -5.344380      0.196290      2.983673
  C      -1.222749     -4.957095      5.606404
  C       0.112214     -5.073958      6.070972
  C       0.424293     -4.683761      7.362224
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  C      -1.888732     -4.057891      7.789319
  C      -2.237299     -4.470680      6.484958
  N      -3.498297     -4.388754      5.933064
  C      -4.607226     -4.269997      6.726000
  C      -4.807135     -5.054096      7.909033
  O      -4.115227     -5.931103      8.415338
  Cl     -6.464746     -4.615436      8.689016
  H      -2.608204     -3.303917     -0.776959
  H      -1.576616     -1.120914     -1.205940
  H      -1.149990      0.479811      0.657938
  H      -1.615370     -0.186675      3.002817
  H      -2.604793     -2.148056      5.729709
  H      -6.876151     -7.793686      5.290374
  H      -9.109249     -6.927463      5.908669
  H      -9.673945     -4.518006      5.563545
  H      -8.004539     -2.955036      4.593324
  H      -6.058192     -1.851328      4.628008
  H       0.898009     -5.424323      5.402290
  H       1.459042     -4.744954      7.711752
  H      -0.304717     -3.825555      9.217958
  H      -2.654664     -3.630198      8.437381
  H      -5.456947     -3.685544      6.366514
  N      -7.293930     -5.423225      1.391747
  N      -8.253263     -4.882084      1.284563
73
Coordinates from ORCA-job orca E -7352.690646512221
  N      -3.247769     -4.195612      1.778251
  C      -3.719691     -5.123274      0.756256
  C      -3.827452     -6.518192      1.379763
  N      -2.965351     -6.542096      2.586363
  C      -3.195327     -7.730076      3.442815
  C      -4.561236     -7.607989      4.092581
  N      -4.884750     -6.188956      4.181031
  Mo     -3.538408     -4.703550      3.761209
  N      -1.665765     -5.267235      4.354114
  C      -0.741257     -5.939047      3.446022
  C      -1.525079     -6.433823      2.231840
  H      -0.252452     -6.773592      3.975437
  H       0.054872     -5.250680      3.118119
  H      -1.162142     -7.415715      1.887531
  H      -1.431471     -5.728279      1.401961
  H      -5.339012     -8.123396      3.502852
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  H      -3.099928     -8.650512      2.843876
  H      -2.408777     -7.728058      4.206848
  H      -3.021391     -5.140636     -0.094222
  H      -4.699236     -4.795795      0.372683
  H      -3.512399     -7.304776      0.673849
  H      -4.853372     -6.726731      1.703043
  C      -2.629108     -3.055855      1.396334
  C      -2.346172     -2.657649      0.062510
  C      -1.789759     -1.417769     -0.174965
  C      -1.531711     -0.512264      0.883325
  C      -1.774334     -0.883960      2.186676
  C      -2.262593     -2.181837      2.468506
  N      -2.546622     -2.656665      3.719139
  C      -2.021516     -2.100006      4.818643
  C      -0.714445     -1.543831      5.033237
  O      -0.349281     -0.896851      5.985968
  Cl      0.590961     -2.114700      3.827003
  C      -6.135483     -5.855548      4.609424
  C      -7.098003     -6.736437      5.150520
  C      -8.346568     -6.246979      5.505464
  C      -8.667153     -4.889068      5.314277
  C      -7.735178     -4.007922      4.781007
  C      -6.456051     -4.480121      4.433400
  N      -5.458215     -3.743833      3.820802
  C      -5.606707     -2.379702      3.774864
  C      -5.350777     -1.649020      2.595138
  O      -5.179696     -2.009615      1.447022
  Cl     -5.374555      0.182850      2.959266
  C      -1.226394     -4.972371      5.607807
  C       0.103410     -5.098936      6.074614
  C       0.411446     -4.717983      7.368369
  C      -0.585154     -4.196464      8.222648
  C      -1.892993     -4.077083      7.791993
  C      -2.240836     -4.486525      6.486829
  N      -3.494880     -4.391989      5.930277
  C      -4.597998     -4.241864      6.714257
  C      -4.828798     -5.009604      7.894029
  O      -4.195386     -5.909843      8.401861
  Cl     -6.443620     -4.496350      8.663014
  H      -2.612695     -3.298737     -0.775641
  H      -1.595414     -1.108049     -1.203207
  H      -1.173376      0.493208      0.661285
  H      -1.629025     -0.180484      3.005576
  H      -2.605572     -2.161625      5.735218
  H      -6.858291     -7.788341      5.307139
  H      -9.087498     -6.923696      5.935104
  H      -9.660876     -4.526273      5.578470
  H      -7.997972     -2.966209      4.596569
  H      -6.051651     -1.856696      4.623819
  H       0.888269     -5.450028      5.406507
  H       1.441318     -4.788013      7.720300
  H      -0.315830     -3.861939      9.225007
  H      -2.655581     -3.645930      8.439242
  H      -5.418801     -3.635185      6.347203
  N      -7.286545     -5.419507      1.396645
  N      -8.241336     -4.880223      1.279914
73
Coordinates from ORCA-job orca E -7352.690621715230
  N      -3.252168     -4.201023      1.775481
  C      -3.721720     -5.132167      0.756058
  C      -3.826182     -6.525277      1.384029
  N      -2.962591     -6.543003      2.589152
  C      -3.188187     -7.730169      3.447886
  C      -4.557674     -7.611258      4.094402
  N      -4.884806     -6.194010      4.178510
  Mo     -3.540463     -4.706799      3.759275
  N      -1.668768     -5.267017      4.354669
  C      -0.740437     -5.931346      3.444703
  C      -1.522531     -6.433301      2.232692
  H      -0.243854     -6.761610      3.972966
  H       0.049035     -5.236449      3.115816
  H      -1.157383     -7.415819      1.892947
  H      -1.431078     -5.731399      1.399617
  H      -5.332448     -8.130450      3.505168
  H      -4.539490     -8.081865      5.090711
  H      -3.088452     -8.650820      2.850211
  H      -2.402994     -7.724265      4.211023
  H      -3.022895     -5.150824     -0.094031
  H      -4.702306     -4.808714      0.370708
  H      -3.508430     -7.314171      0.681430
  H      -4.849935     -6.731374      1.709203
  C      -2.637137     -3.060056      1.393590
  C      -2.354524     -2.662126      0.059767
  C      -1.799399     -1.422056     -0.177929
  C      -1.542594     -0.516031      0.880230
  C      -1.785243     -0.887299      2.183509
  C      -2.272450     -2.185203      2.465709
  N      -2.555264     -2.660092      3.716175
  C      -2.028542     -2.104589      4.815648
  C      -0.720951     -1.554227      5.029947
  O      -0.351151     -0.908004      5.980993
  Cl      0.579947     -2.133097      3.824554
  C      -6.134489     -5.861476      4.609803
  C      -7.090741     -6.738498      5.160978
  C      -8.336654     -6.245866      5.524268
  C      -8.661411     -4.890554      5.329294
  C      -7.735557     -4.014346      4.784405
  C      -6.457597     -4.487602      4.431264
  N      -5.462260     -3.750685      3.816391
  C      -5.611455     -2.386796      3.771296
  C      -5.352013     -1.653917      2.594004
  O      -5.175900     -2.013138      1.447637
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  C      -1.230796     -4.972812      5.608505
  C       0.099228     -5.096597      6.075026
  C       0.406225     -4.715822      7.369181
  C      -0.591776     -4.197614      8.223531
  C      -1.900183     -4.081096      7.792881
  C      -2.247027     -4.490037      6.487185
  N      -3.500588     -4.396955      5.929699
  C      -4.603355     -4.247148      6.714230
  C      -4.831612     -5.016267      7.893810
  O      -4.194318     -5.913603      8.402284
  Cl     -6.439862     -4.497799      8.671917
  H      -2.619683     -3.304459     -0.777845
  H      -1.604643     -1.112694     -1.206015
  H      -1.184972      0.489346      0.658208
  H      -1.640434     -0.183381      3.002122
  H      -2.611102     -2.165429      5.731996
  H      -6.846619     -7.786180      5.324894
  H      -9.071254     -6.916904      5.965649
  H      -9.653284     -4.525218      5.601055
  H      -8.000575     -2.973654      4.598967
  H      -6.057912     -1.865701      4.619998
  H       0.885131     -5.444950      5.406586
  H       1.436581     -4.783125      7.721161
  H      -0.323226     -3.862960      9.226135
  H      -2.663643     -3.652209      8.440452
  H      -5.423790     -3.639267      6.349041
  N      -7.244051     -5.339540      1.338824
  N      -8.161149     -4.738294      1.229106
73
Coordinates from ORCA-job orca E -7352.690662936564
  N      -3.249186     -4.198609      1.776837
  C      -3.718357     -5.128187      0.755496
  C      -3.825769     -6.522010      1.381330
  N      -2.963564     -6.543342      2.587427
  C      -3.191759     -7.731184      3.444728
  C      -4.559110     -7.610378      4.093288
  N      -4.884112     -6.192315      4.180050
  Mo     -3.538937     -4.705771      3.759993
  N      -1.667238     -5.267757      4.354575
  C      -0.740411     -5.935960      3.445853
  C      -1.523155     -6.434444      2.232602
  H      -0.247730     -6.768567      3.975088
  H       0.052679     -5.244144      3.117577
  H      -1.159021     -7.416753      1.890904
  H      -1.430235     -5.730841      1.400920
  H      -5.335749     -8.127368      3.504288
  H      -4.540524     -8.082325      5.089600
  H      -3.094932     -8.651510      2.846081
  H      -2.405649     -7.727969      4.208136
  H      -3.018089     -5.146476     -0.093380
  H      -4.697585     -4.802579      0.369064
  H      -3.509937     -7.309971      0.677143
  H      -4.851021     -6.728672      1.705007
  C      -2.633413     -3.057529      1.395082
  C      -2.350976     -2.659083      0.061316
  C      -1.796121     -1.418635     -0.176155
  C      -1.539203     -0.512901      0.882151
  C      -1.781449     -0.884826      2.185466
  C      -2.268361     -2.183042      2.467277
  N      -2.551347     -2.658320      3.717878
  C      -2.025008     -2.102367      4.817199
  C      -0.717703     -1.548951      5.030718
  O      -0.350106     -0.901369      5.981716
  Cl      0.584433     -2.123451      3.824297
  C      -6.134088     -5.859232      4.610935
  C      -7.093789     -6.738868      5.156813
  C      -8.341281     -6.248697      5.515588
  C      -8.663698     -4.891594      5.323297
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  C      -6.455968     -4.484322      4.434371
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  C      -5.354386     -1.654493      2.591064
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  C      -2.244362     -4.489541      6.487334
  N      -3.497827     -4.394389      5.930003
  C      -4.600132     -4.241582      6.713924
  C      -4.831399     -5.008622      7.893874
  O      -4.199952     -5.909678      8.401457
  Cl     -6.440706     -4.488783      8.666598
  H      -2.616383     -3.300842     -0.776674
  H      -1.601903     -1.108793     -1.204314
  H      -1.181929      0.492788      0.660241
  H      -1.636813     -0.181184      3.004328
  H      -2.607687     -2.163572      5.734049
  H      -6.852265     -7.789410      5.315917
  H      -9.079757     -6.923952      5.949734
  H      -9.656690     -4.528278      5.590651
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  H      -6.054399     -1.860949      4.620425
  H       0.886259     -5.449670      5.407211
  H       1.438471     -4.787740      7.721345
  H      -0.319907     -3.863632      9.225852
  H      -2.659732     -3.649318      8.439807
  H      -5.419023     -3.632668      6.347423
  N      -7.262828     -5.369448      1.369529
  N      -8.196572     -4.793596      1.260010
73
Coordinates from ORCA-job orca E -7352.690663758292
  N      -3.247543     -4.198284      1.777089
  C      -3.716207     -5.127105      0.754437
  C      -3.825957     -6.521169      1.379219
  N      -2.964364     -6.543985      2.586239
  C      -3.193596     -7.731712      3.443412
  C      -4.560218     -7.610298      4.092319
  N      -4.884271     -6.191579      4.180273
  Mo     -3.538755     -4.705339      3.759889
  N      -1.666855     -5.267828      4.353778
  C      -0.740982     -5.938208      3.445796
  C      -1.523910     -6.435494      2.232064
  H      -0.250171     -6.771496      3.975624
  H       0.053615     -5.248088      3.117511
  H      -1.160294     -7.417875      1.889928
  H      -1.430228     -5.731520      1.400798
  H      -5.337453     -8.126272      3.502394
  H      -4.542416     -8.083075      5.088723
  H      -3.096654     -8.652332      2.845158
  H      -2.407616     -7.728450      4.207710
  H      -3.014712     -5.145673     -0.093477
  H      -4.694334     -4.800038      0.366760
  H      -3.510776     -7.308650      0.674245
  H      -4.852243     -6.727786      1.701879
  C      -2.630427     -3.057558      1.395406
  C      -2.346945     -2.659546      0.061676
  C      -1.791827     -1.419154     -0.175808
  C      -1.535692     -0.512937      0.882380
  C      -1.778996     -0.884375      2.185647
  C      -2.265945     -2.182653      2.467514
  N      -2.550043     -2.657460      3.718120
  C      -2.025945     -2.100383      4.817836
  C      -0.719589     -1.543304      5.033008
  O      -0.355571     -0.894709      5.985118
  Cl      0.586533     -2.114076      3.828140
  C      -6.133796     -5.858116      4.612009
  C      -7.093470     -6.737287      5.158610
  C      -8.340994     -6.247485      5.517035
  C      -8.663980     -4.891796      5.322699
  C      -7.734738     -4.012277      4.784214
  C      -6.455877     -4.483790      4.434754
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  C      -5.610141     -2.383914      3.770607
  C      -5.356550     -1.655058      2.589742
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  Cl     -5.387619      0.176709      2.948491
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  C       0.101311     -5.100498      6.074766
  C       0.408883     -4.720030      7.368741
  C      -0.587868     -4.198695      8.222821
  C      -1.895419     -4.079000      7.791787
  C      -2.243035     -4.488471      6.486568
  N      -3.496769     -4.393260      5.929533
  C      -4.599194     -4.241514      6.713888
  C      -4.830102     -5.009761      7.893478
  O      -4.197683     -5.911339      8.399858
  Cl     -6.442735     -4.494802      8.664703
  H      -2.612058     -3.301317     -0.776417
  H      -1.597071     -1.109656     -1.204001
  H      -1.178262      0.492766      0.660378
  H      -1.635112     -0.180381      3.004389
  H      -2.610077     -2.162557      5.734104
  H      -6.851808     -7.787066      5.318287
  H      -9.079253     -6.922207      5.951889
  H      -9.657183     -4.529102      5.589289
  H      -7.999154     -2.972046      4.597953
  H      -6.055654     -1.860177      4.617932
  H       0.886385     -5.451339      5.406768
  H       1.438495     -4.790259      7.720853
  H      -0.318944     -3.864435      9.225328
  H      -2.658029     -3.647775      8.438928
  H      -5.419327     -3.633623      6.347498
  N      -7.270107     -5.373164      1.380295
  N      -8.207613     -4.802404      1.273611
73
Coordinates from ORCA-job orca E -7352.690675099388
  N      -3.247955     -4.200083      1.776952
  C      -3.715160     -5.129627      0.754393
  C      -3.825422     -6.523061      1.380054
  N      -2.963867     -6.545514      2.587000
  C      -3.192817     -7.733117      3.444321
  C      -4.559346     -7.612234      4.093157
  N      -4.884048     -6.193679      4.180461
  Mo     -3.538863     -4.706890      3.759943
  N      -1.666776     -5.268834      4.354308
  C      -0.740773     -5.939663      3.446872
  C      -1.523381     -6.437019      2.232992
  H      -0.250576     -6.772846      3.977085
  H       0.054140     -5.250038      3.118805
  H      -1.159675     -7.419397      1.890953
  H      -1.429512     -5.733120      1.401747
  H      -5.336190     -8.128831      3.503723
  H      -4.541152     -8.084476      5.089481
  H      -3.095340     -8.653723      2.846328
  H      -2.406962     -7.729316      4.208560
  H      -3.012537     -5.148686     -0.092571
  H      -4.692774     -4.803027      0.365172
  H      -3.510622     -7.311141      0.675638
  H      -4.851549     -6.728788      1.702953
  C      -2.632407     -3.058620      1.395099
  C      -2.349939     -2.660321      0.061259
  C      -1.796494     -1.419190     -0.176478
  C      -1.541027     -0.512643      0.881611
  C      -1.783313     -0.884411      2.184985
  C      -2.268642     -2.183295      2.467046
  N      -2.551303     -2.658722      3.717788
  C      -2.027273     -2.101087      4.817253
  C      -0.721357     -1.542227      5.031642
  O      -0.357505     -0.893844      5.984060
  Cl      0.585224     -2.112047      3.826275
  C      -6.133619     -5.860587      4.612318
  C      -7.093304     -6.740427      5.158517
  C      -8.340469     -6.250207      5.518074
  C      -8.662933     -4.893253      5.325606
  C      -7.733944     -4.013585      4.786752
  C      -6.455576     -4.485755      4.435738
  N      -5.460013     -3.749711      3.819687
  C      -5.609702     -2.385900      3.769918
  C      -5.356645     -1.658471      2.587726
  O      -5.185324     -2.022436      1.441061
  Cl     -5.383605      0.174297      2.945764
  C      -1.228431     -4.974415      5.608403
  C       0.101122     -5.100439      6.075614
  C       0.408499     -4.719172      7.369447
  C      -0.588458     -4.197643      8.223106
  C      -1.896047     -4.078636      7.791843
  C      -2.243493     -4.488988      6.486817
  N      -3.497262     -4.394354      5.929662
  C      -4.599485     -4.241841      6.714070
  C      -4.830280     -5.009572      7.893884
  O      -4.197823     -5.910866      8.400487
  Cl     -6.440542     -4.491973      8.666963
  H      -2.614653     -3.302472     -0.776666
  H      -1.602570     -1.109434     -1.204746
  H      -1.184926      0.493565      0.659462
  H      -1.639852     -0.180256      3.003676
  H      -2.611051     -2.164140      5.733900
  H      -6.851957     -7.791096      5.316976
  H      -9.078666     -6.925235      5.952848
  H      -9.655704     -4.529870      5.593650
  H      -7.998081     -2.972340      4.601838
  H      -6.053561     -1.860775      4.617946
  H       0.886367     -5.451346      5.407917
  H       1.438134     -4.788855      7.721735
  H      -0.319660     -3.862647      9.225437
  H      -2.658827     -3.647225      8.438619
  H      -5.419270     -3.633556      6.347805
  N      -7.261074     -5.346326      1.366540
  N      -8.187701     -4.756942      1.266393
73
Coordinates from ORCA-job orca E -7352.690690213384
  N      -3.248106     -4.202606      1.777203
  C      -3.712045     -5.133012      0.754020
  C      -3.824919     -6.525608      1.380979
  N      -2.963704     -6.548284      2.587876
  C      -3.191841     -7.736086      3.445038
  C      -4.558377     -7.615942      4.094126
  N      -4.884191     -6.197955      4.180386
  Mo     -3.539882     -4.709845      3.759724
  N      -1.667155     -5.269704      4.354309
  C      -0.740484     -5.941070      3.447844
  C      -1.522912     -6.439633      2.234248
  H      -0.250323     -6.773924      3.979159
  H       0.054772     -5.251685      3.119318
  H      -1.158718     -7.422195      1.893096
  H      -1.428816     -5.736423      1.402401
  H      -5.334720     -8.133609      3.505771
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  H      -3.093470     -8.656643      2.847424
  H      -2.406108     -7.731896      4.208600
  H      -3.006354     -5.153181     -0.090240
  H      -4.687908     -4.806213      0.360886
  H      -3.511450     -7.314923      0.677476
  H      -4.851196     -6.728456      1.703230
  C      -2.634458     -3.059993      1.395665
  C      -2.351659     -2.661589      0.062014
  C      -1.799626     -1.419863     -0.175600
  C      -1.545614     -0.513207      0.882515
  C      -1.788028     -0.885278      2.185815
  C      -2.272381     -2.184362      2.467642
  N      -2.554868     -2.659889      3.718456
  C      -2.029724     -2.102657      4.817299
  C      -0.723940     -1.545259      5.029645
  O      -0.358496     -0.895500      5.979450
  Cl      0.578068     -2.118085      3.824880
  C      -6.133163     -5.865526      4.614161
  C      -7.091696     -6.745991      5.161971
  C      -8.338452     -6.256207      5.523322
  C      -8.661322     -4.898684      5.331680
  C      -7.733352     -4.018308      4.791448
  C      -6.455625     -4.490437      4.437995
  N      -5.461792     -3.754571      3.819087
  C      -5.612217     -2.391026      3.765422
  C      -5.361924     -1.667699      2.579840
  O      -5.192854     -2.035744      1.433320
  Cl     -5.387824      0.166821      2.932204
  C      -1.229115     -4.974368      5.608400
  C       0.101119     -5.097667      6.075411
  C       0.408591     -4.714163      7.368739
  C      -0.589351     -4.193617      8.222101
  C      -1.897836     -4.077756      7.791068
  C      -2.244974     -4.489988      6.486536
  N      -3.499119     -4.396921      5.929382
  C      -4.600844     -4.242962      6.714191
  C      -4.831381     -5.009732      7.894412
  O      -4.200158     -5.911835      8.400263
  Cl     -6.437772     -4.488278      8.670143
  H      -2.614912     -3.304236     -0.775929
  H      -1.605539     -1.110028     -1.203789
  H      -1.190581      0.493268      0.660573
  H      -1.645721     -0.180964      3.004475
  H      -2.611411     -2.164913      5.734418
  H      -6.849980     -7.797090      5.319733
  H      -9.076088     -6.931994      5.958890
  H      -9.653730     -4.535572      5.601229
  H      -7.998120     -2.976938      4.606848
  H      -6.054288     -1.863008      4.612926
  H       0.887177     -5.447387      5.407700
  H       1.439254     -4.780829      7.720599
  H      -0.320613     -3.856519      9.223858
  H      -2.661358     -3.646662      8.437431
  H      -5.419974     -3.633950      6.348318
  N      -7.248377     -5.287959      1.347872
  N      -8.152024     -4.661565      1.266096
73
Coordinates from ORCA-job orca E -7352.690707235908
  N      -3.247813     -4.207128      1.776952
  C      -3.708147     -5.138969      0.753290
  C      -3.824040     -6.530283      1.381707
  N      -2.962953     -6.552697      2.589002
  C      -3.190178     -7.740178      3.446825
  C      -4.556403     -7.620592      4.096881
  N      -4.883149     -6.202748      4.181678
  Mo     -3.540245     -4.713351      3.759335
  N      -1.667073     -5.271235      4.354435
  C      -0.740041     -5.943982      3.449302
  C      -1.521947     -6.444006      2.235876
  H      -0.250296     -6.776236      3.982009
  H       0.055600     -5.255211      3.120245
  H      -1.157483     -7.426956      1.896123
  H      -1.427218     -5.741764      1.403282
  H      -5.333110     -8.139646      3.509905
  H      -4.536374     -8.090191      5.094234
  H      -3.091360     -8.661063      2.849589
  H      -2.403833     -7.735095      4.210032
  H      -2.998686     -5.160808     -0.087994
  H      -4.682266     -4.812164      0.355300
  H      -3.511619     -7.320895      0.679033
  H      -4.851206     -6.730838      1.703622
  C      -2.637003     -3.062995      1.395059
  C      -2.354880     -2.664770      0.061236
  C      -1.806596     -1.421444     -0.177164
  C      -1.555782     -0.513146      0.880360
  C      -1.797475     -0.885086      2.183861
  C      -2.277850     -2.185578      2.466476
  N      -2.558745     -2.661489      3.717652
  C      -2.035757     -2.102562      4.816476
  C      -0.731815     -1.539398      5.029234
  O      -0.370173     -0.887853      5.979746
  Cl      0.574109     -2.106995      3.825095
  C      -6.131154     -5.871313      4.618183
  C      -7.087377     -6.751949      5.169349
  C      -8.333177     -6.261845      5.534056
  C      -8.657125     -4.904162      5.342140
  C      -7.731315     -4.024045      4.797972
  C      -6.454314     -4.496359      4.441381
  N      -5.463006     -3.761044      3.818207
  C      -5.614876     -2.397940      3.758274
  C      -5.368972     -1.680575      2.567893
  O      -5.201499     -2.054533      1.422727
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  C      -1.229878     -4.975757      5.608733
  C       0.099651     -5.099414      6.076533
  C       0.406204     -4.715813      7.369944
  C      -0.591791     -4.194286      8.222430
  C      -1.899572     -4.077945      7.790499
  C      -2.246021     -4.491045      6.486129
  N      -3.500016     -4.398805      5.928715
  C      -4.601284     -4.243931      6.714087
  C      -4.831034     -5.010747      7.894438
  O      -4.198996     -5.913100      8.399148
  Cl     -6.436401     -4.489492      8.672073
  H      -2.616026     -3.308827     -0.776290
  H      -1.613211     -1.111795     -1.205544
  H      -1.203840      0.494388      0.657855
  H      -1.657664     -0.179616      3.002012
  H      -2.617708     -2.167736      5.733796
  H      -6.844686     -7.803080      5.327098
  H      -9.069323     -6.937418      5.972430
  H      -9.648876     -4.540875      5.614384
  H      -7.997240     -2.982834      4.612957
  H      -6.055095     -1.866056      4.604485
  H       0.885850     -5.449910      5.409542
  H       1.436125     -4.783211      7.722480
  H      -0.323720     -3.856931      9.224192
  H      -2.663204     -3.646188      8.436136
  H      -5.420371     -3.634561      6.348801
  N      -7.224666     -5.201422      1.315160
  N      -8.090340     -4.520890      1.262158
73
Coordinates from ORCA-job orca E -7352.690725358036
  N      -3.245618     -4.210441      1.777893
  C      -3.701643     -5.142492      0.752372
  C      -3.824472     -6.532810      1.381437
  N      -2.964129     -6.558171      2.589253
  C      -3.191739     -7.744830      3.447542
  C      -4.557338     -7.625563      4.097452
  N      -4.884226     -6.207289      4.182167
  Mo     -3.540993     -4.717187      3.759303
  N      -1.665702     -5.272364      4.352786
  C      -0.739855     -5.948396      3.449303
  C      -1.522905     -6.449902      2.236868
  H      -0.251246     -6.780187      3.983749
  H       0.056828     -5.261753      3.118154
  H      -1.158281     -7.433282      1.898262
  H      -1.427340     -5.748708      1.403580
  H      -5.333747     -8.144121      3.510175
  H      -4.538378     -8.094473      5.095115
  H      -3.090929     -8.666524      2.852446
  H      -2.405973     -7.737599      4.211906
  H      -2.987316     -5.166355     -0.084392
  H      -4.671678     -4.813232      0.348258
  H      -3.516474     -7.324996      0.679115
  H      -4.852002     -6.727799      1.701884
  C      -2.635057     -3.065649      1.395884
  C      -2.351609     -2.668131      0.062211
  C      -1.805766     -1.423639     -0.176498
  C      -1.558622     -0.513927      0.880551
  C      -1.801105     -0.885565      2.184097
  C      -2.278680     -2.187005      2.466921
  N      -2.560021     -2.662844      3.718276
  C      -2.040786     -2.101829      4.817263
  C      -0.739494     -1.530119      5.031596
  O      -0.385004     -0.876037      5.983176
  Cl      0.572006     -2.090020      3.830600
  C      -6.131076     -5.874825      4.621377
  C      -7.086080     -6.754013      5.176002
  C      -8.330854     -6.262971      5.543474
  C      -8.655491     -4.906437      5.349890
  C      -7.731244     -4.027722      4.801911
  C      -6.454823     -4.500408      4.443410
  N      -5.464195     -3.766490      3.817672
  C      -5.617196     -2.403652      3.754226
  C      -5.373612     -1.689522      2.562280
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  Cl     -5.408290      0.147922      2.898851
  C      -1.228500     -4.975278      5.606905
  C       0.101314     -5.096543      6.074723
  C       0.407650     -4.711270      7.367722
  C      -0.591076     -4.190337      8.220022
  C      -1.899208     -4.076578      7.788122
  C      -2.245053     -4.491492      6.484264
  N      -3.499879     -4.401943      5.927435
  C      -4.601223     -4.249046      6.713560
  C      -4.829282     -5.015605      7.894455
  O      -4.195589     -5.917620      8.398166
  Cl     -6.436244     -4.498362      8.671738
  H      -2.610209     -3.313223     -0.775282
  H      -1.611984     -1.114410     -1.204943
  H      -1.209092      0.494440      0.657760
  H      -1.664324     -0.178996      3.001830
  H      -2.623549     -2.170148      5.734016
  H      -6.843001     -7.804354      5.333936
  H      -9.065678     -6.936944      5.985102
  H      -9.646403     -4.542353      5.624795
  H      -7.997788     -2.986773      4.616743
  H      -6.056510     -1.869202      4.599026
  H       0.888077     -5.446340      5.407892
  H       1.437900     -4.776717      7.719948
  H      -0.323341     -3.851410      9.221359
  H      -2.663624     -3.645087      8.433242
  H      -5.422210     -3.641861      6.348381
  N      -7.223827     -5.144845      1.286805
  N      -8.065378     -4.433062      1.259704
73
Coordinates from ORCA-job orca E -7352.690730635461
  N      -3.247735     -4.214080      1.780881
  C      -3.705110     -5.145690      0.755189
  C      -3.831407     -6.535159      1.384372
  N      -2.966868     -6.560840      2.590933
  C      -3.191448     -7.746629      3.450931
  C      -4.555975     -7.628388      4.103131
  N      -4.884376     -6.209946      4.187012
  Mo     -3.543345     -4.718957      3.762244
  N      -1.666600     -5.271983      4.351644
  C      -0.742118     -5.947560      3.446149
  C      -1.526718     -6.451354      2.235299
  H      -0.250445     -6.777861      3.980111
  H       0.052453     -5.259721      3.112055
  H      -1.161937     -7.434889      1.897631
  H      -1.432849     -5.751070      1.401085
  H      -5.332886     -8.149000      3.516815
  H      -4.534858     -8.095967      5.101552
  H      -3.090186     -8.669763      2.856845
  H      -2.404114     -7.736909      4.214110
  H      -2.989489     -5.172136     -0.081083
  H      -4.674221     -4.814893      0.349248
  H      -3.526632     -7.328204      0.680735
  H      -4.860936     -6.727226      1.708680
  C      -2.633789     -3.071391      1.398537
  C      -2.347513     -2.676372      0.064687
  C      -1.799441     -1.433326     -0.175060
  C      -1.553010     -0.522100      0.880921
  C      -1.798558     -0.890871      2.184487
  C      -2.278131     -2.191156      2.468779
  N      -2.563347     -2.663573      3.719994
  C      -2.048118     -2.100847      4.819590
  C      -0.748376     -1.527766      5.038104
  O      -0.397660     -0.872425      5.990431
  Cl      0.567035     -2.087602      3.842391
  C      -6.132068     -5.880132      4.624720
  C      -7.086401     -6.761097      5.178874
  C      -8.332547     -6.272524      5.543711
  C      -8.659360     -4.917390      5.347172
  C      -7.735671     -4.036925      4.799598
  C      -6.457744     -4.506916      4.444993
  N      -5.466806     -3.771428      3.821297
  C      -5.622710     -2.408913      3.754903
  C      -5.377566     -1.695238      2.563137
  O      -5.201205     -2.071879      1.422249
  Cl     -5.425189      0.141848      2.894090
  C      -1.226650     -4.971869      5.604282
  C       0.104715     -5.089377      6.069625
  C       0.413289     -4.701164      7.361298
  C      -0.584299     -4.180397      8.214665
  C      -1.893654     -4.069933      7.785348
  C      -2.242015     -4.488259      6.483094
  N      -3.498495     -4.403563      5.928861
  C      -4.598920     -4.253249      6.716796
  C      -4.823528     -5.021059      7.897871
  O      -4.185337     -5.920097      8.401816
  Cl     -6.429971     -4.506513      8.678743
  H      -2.605553     -3.322445     -0.772166
  H      -1.603104     -1.126354     -1.203605
  H      -1.201492      0.485096      0.657123
  H      -1.662543     -0.182943      3.001129
  H      -2.633429     -2.168992      5.734381
  H      -6.841872     -7.810605      5.338449
  H      -9.067082     -6.947772      5.984891
  H      -9.651595     -4.556095      5.618837
  H      -8.003826     -2.997623      4.611409
  H      -6.066017     -1.875069      4.596850
  H       0.890576     -5.438921      5.401914
  H       1.444295     -4.764360      7.711686
  H      -0.314839     -3.839371      9.214811
  H      -2.657358     -3.638855      8.431087
  H      -5.422117     -3.648089      6.352540
  N      -7.221221     -5.075085      1.244720
  N      -8.027562     -4.323193      1.244025
73
Coordinates from ORCA-job orca E -7352.690741382115
  N      -3.245006     -4.212677      1.780168
  C      -3.701896     -5.144237      0.754148
  C      -3.828089     -6.534228      1.383423
  N      -2.965136     -6.560205      2.590162
  C      -3.190598     -7.746195      3.449860
  C      -4.556075     -7.626901      4.102167
  N      -4.883310     -6.208722      4.186872
  Mo     -3.541796     -4.718675      3.761221
  N      -1.665109     -5.270777      4.351070
  C      -0.740287     -5.946422      3.446144
  C      -1.524486     -6.450887      2.235580
  H      -0.248679     -6.776639      3.980479
  H       0.054311     -5.258600      3.112092
  H      -1.159188     -7.434499      1.898574
  H      -1.430253     -5.750985      1.401111
  H      -5.334091     -8.146144      3.515752
  H      -4.535146     -8.095421      5.100768
  H      -3.091120     -8.668669      2.854766
  H      -2.403172     -7.738356      4.212548
  H      -2.986168     -5.170109     -0.081899
  H      -4.670924     -4.813574      0.348108
  H      -3.523358     -7.327627      0.680296
  H      -4.857393     -6.726336      1.706194
  C      -2.631942     -3.069411      1.398130
  C      -2.345337     -2.674092      0.064453
  C      -1.798418     -1.430317     -0.175020
  C      -1.553450     -0.518903      0.881052
  C      -1.798842     -0.888255      2.184635
  C      -2.277195     -2.189137      2.468647
  N      -2.562295     -2.662123      3.719975
  C      -2.045563     -2.100602      4.819483
  C      -0.745222     -1.529141      5.036869
  O      -0.393703     -0.873310      5.988059
  Cl      0.567884     -2.088735      3.839872
  C      -6.131167     -5.876984      4.624591
  C      -7.085312     -6.755815      5.181182
  C      -8.331156     -6.266752      5.546764
  C      -8.658502     -4.912879      5.348505
  C      -7.735395     -4.034081      4.798823
  C      -6.457624     -4.504365      4.443776
  N      -5.466235     -3.770327      3.819215
  C      -5.623168     -2.408005      3.754699
  C      -5.377711     -1.692278      2.563946
  O      -5.202793     -2.066795      1.421330
  Cl     -5.421060      0.144599      2.900181
  C      -1.226527     -4.972296      5.604220
  C       0.103501     -5.092356      6.070419
  C       0.410722     -4.706592      7.362916
  C      -0.586868     -4.185436      8.215945
  C      -1.895046     -4.072268      7.785523
  C      -2.242321     -4.488730      6.482588
  N      -3.498033     -4.402476      5.927552
  C      -4.599031     -4.252088      6.714555
  C      -4.824572     -5.018647      7.896192
  O      -4.187774     -5.918336      8.400726
  Cl     -6.434964     -4.506694      8.672394
  H      -2.602223     -3.320416     -0.772641
  H      -1.601974     -1.122993     -1.203518
  H      -1.203204      0.488914      0.657368
  H      -1.664020     -0.180154      3.001360
  H      -2.629660     -2.168679      5.735075
  H      -6.840457     -7.804390      5.342553
  H      -9.064889     -6.940772      5.989940
  H      -9.650517     -4.551151      5.620769
  H      -8.003798     -2.995703      4.609532
  H      -6.066999     -1.875515      4.597642
  H       0.889367     -5.442568      5.403006
  H       1.440612     -4.772245      7.714219
  H      -0.318377     -3.846271      9.216834
  H      -2.658771     -3.641107      8.431291
  H      -5.421910     -3.647211      6.349219
  N      -7.237903     -5.103645      1.252875
  N      -8.058766     -4.367980      1.246330
73
Coordinates from ORCA-job orca E -7352.690746954886
  N      -3.244426     -4.213861      1.779269
  C      -3.698034     -5.146715      0.753089
  C      -3.826248     -6.535493      1.384240
  N      -2.964372     -6.561910      2.590424
  C      -3.190595     -7.748557      3.449106
  C      -4.555721     -7.628857      4.101599
  N      -4.882334     -6.211228      4.186785
  Mo     -3.541222     -4.721114      3.760441
  N      -1.664882     -5.273187      4.351925
  C      -0.740103     -5.951093      3.448792
  C      -1.523241     -6.453235      2.237164
  H      -0.252328     -6.782752      3.984146
  H       0.057287     -5.266025      3.116527
  H      -1.157862     -7.436307      1.898696
  H      -1.428096     -5.752037      1.404054
  H      -5.334110     -8.147244      3.516371
  H      -4.533740     -8.098030      5.099459
  H      -3.092837     -8.669817      2.852732
  H      -2.402949     -7.742846      4.211247
  H      -2.979466     -5.173783     -0.080107
  H      -4.665822     -4.816909      0.343354
  H      -3.523949     -7.330605      0.682507
  H      -4.854635     -6.724407      1.707084
  C      -2.633973     -3.069181      1.397682
  C      -2.347776     -2.673037      0.064171
  C      -1.803243     -1.428100     -0.174832
  C      -1.560299     -0.516620      0.881570
  C      -1.805061     -0.886950      2.185093
  C      -2.280949     -2.188821      2.468583
  N      -2.564397     -2.663300      3.719947
  C      -2.046637     -2.101777      4.819156
  C      -0.746214     -1.529375      5.034714
  O      -0.394334     -0.873018      5.985349
  Cl      0.566536     -2.088856      3.836730
  C      -6.130394     -5.879440      4.624389
  C      -7.084050     -6.758539      5.181819
  C      -8.329464     -6.268983      5.548866
  C      -8.656317     -4.913631      5.352041
  C      -7.733792     -4.034910      4.800834
  C      -6.456799     -4.506252      4.442989
  N      -5.466315     -3.772199      3.816520
  C      -5.624035     -2.409903      3.751489
  C      -5.378745     -1.694459      2.561323
  O      -5.203704     -2.069052      1.419125
  Cl     -5.422850      0.142275      2.898212
  C      -1.226771     -4.974085      5.605005
  C       0.103490     -5.093551      6.071333
  C       0.410928     -4.705923      7.363395
  C      -0.587360     -4.184800      8.215961
  C      -1.896168     -4.073079      7.785539
  C      -2.243024     -4.490159      6.482691
  N      -3.498421     -4.403535      5.927117
  C      -4.599393     -4.251077      6.713659
  C      -4.825243     -5.014696      7.896837
  O      -4.190418     -5.914720      8.402528
  Cl     -6.433870     -4.498119      8.672823
  H      -2.603278     -3.319721     -0.773089
  H      -1.607183     -1.119949     -1.203202
  H      -1.212085      0.491983      0.658165
  H      -1.671516     -0.179031      3.002156
  H      -2.629675     -2.169927      5.735449
  H      -6.839136     -7.807958      5.342890
  H      -9.062848     -6.943221      5.992896
  H      -9.647589     -4.550663      5.626732
  H      -8.001916     -2.995041      4.613216
  H      -6.067760     -1.877237      4.594334
  H       0.889695     -5.443899      5.403989
  H       1.441711     -4.769862      7.714585
  H      -0.318867     -3.844132      9.216472
  H      -2.660382     -3.641783      8.431101
  H      -5.421191     -3.645240      6.347772
  N      -7.232224     -5.079993      1.242326
  N      -8.042586     -4.332841      1.246299
73
Coordinates from ORCA-job orca E -7352.690751914579
  N      -3.245243     -4.215219      1.779993
  C      -3.698649     -5.147962      0.753510
  C      -3.828170     -6.536291      1.384915
  N      -2.965397     -6.563099      2.590706
  C      -3.191181     -7.749697      3.449436
  C      -4.555267     -7.630593      4.103071
  N      -4.882120     -6.212667      4.189047
  Mo     -3.542148     -4.722375      3.761406
  N      -1.665253     -5.273846      4.351656
  C      -0.740953     -5.951902      3.448089
  C      -1.524500     -6.454343      2.236745
  H      -0.252695     -6.783333      3.983475
  H       0.056249     -5.266811      3.115119
  H      -1.159221     -7.437416      1.898238
  H      -1.429770     -5.753186      1.403508
  H      -5.333719     -8.149417      3.518191
  H      -4.532112     -8.100198      5.100476
  H      -3.093858     -8.671215      2.853081
  H      -2.402857     -7.743369      4.210902
  H      -2.979250     -5.175901     -0.079183
  H      -4.666036     -4.817977      0.342791
  H      -3.527061     -7.331815      0.683037
  H      -4.857088     -6.724299      1.708903
  C      -2.634169     -3.070833      1.398723
  C      -2.347144     -2.674859      0.065305
  C      -1.802050     -1.430258     -0.173499
  C      -1.559467     -0.518717      0.882925
  C      -1.805335     -0.888596      2.186260
  C      -2.281618     -2.190252      2.469682
  N      -2.566177     -2.663990      3.720800
  C      -2.050178     -2.101438      4.820221
  C      -0.750452     -1.527821      5.037349
  O      -0.400110     -0.871245      5.988732
  Cl      0.564482     -2.087023      3.841424
  C      -6.130348     -5.881419      4.626287
  C      -7.083028     -6.760578      5.184609
  C      -8.328904     -6.271792      5.550816
  C      -8.657234     -4.917716      5.351585
  C      -7.735455     -4.038763      4.799543
  C      -6.457748     -4.508813      4.443410
  N      -5.467215     -3.774241      3.817343
  C      -5.625320     -2.411995      3.750448
  C      -5.379051     -1.698136      2.558746
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  Cl     -5.421930      0.139618      2.893721
  C      -1.226124     -4.973386      5.604176
  C       0.104921     -5.091159      6.069600
  C       0.413164     -4.702204      7.361115
  C      -0.585030     -4.181520      8.214127
  C      -1.894476     -4.071432      7.784710
  C      -2.242066     -4.489581      6.482350
  N      -3.497902     -4.404339      5.927566
  C      -4.598666     -4.252309      6.714472
  C      -4.823794     -5.015865      7.897893
  O      -4.188083     -5.914826      8.404269
  Cl     -6.431164     -4.498227      8.675361
  H      -2.602316     -3.321542     -0.771977
  H      -1.605119     -1.122407     -1.201737
  H      -1.210582      0.489536      0.659613
  H      -1.672013     -0.180657      3.003307
  H      -2.634420     -2.169098      5.735478
  H      -6.837038     -7.809067      5.347398
  H      -9.061583     -6.945860      5.995772
  H      -9.649005     -4.555783      5.625188
  H      -8.004668     -3.000018      4.610011
  H      -6.069255     -1.878199      4.593033
  H       0.890930     -5.441208      5.401892
  H       1.444481     -4.764788      7.711560
  H      -0.315978     -3.839943      9.214202
  H      -2.658619     -3.640508      8.430582
  H      -5.420830     -3.647017      6.348611
  N      -7.232227     -5.053185      1.225764
  N      -8.029039     -4.291525      1.241716
73
Coordinates from ORCA-job orca E -7352.690755047000
  N      -3.245047     -4.215608      1.781073
  C      -3.700484     -5.147332      0.754583
  C      -3.829853     -6.536091      1.385627
  N      -2.966079     -6.562853      2.591089
  C      -3.191371     -7.749052      3.450452
  C      -4.555645     -7.630193      4.103893
  N      -4.882482     -6.211941      4.190604
  Mo     -3.542628     -4.722254      3.762826
  N      -1.664929     -5.272831      4.350891
  C      -0.741032     -5.949064      3.445582
  C      -1.525533     -6.454124      2.235750
  H      -0.249421     -6.778850      3.980227
  H       0.053619     -5.262034      3.110620
  H      -1.160304     -7.437727      1.898890
  H      -1.431854     -5.754611      1.401024
  H      -5.333799     -8.149079      3.518316
  H      -4.532657     -8.100425      5.101019
  H      -3.093589     -8.671188      2.854609
  H      -2.403008     -7.741610      4.211981
  H      -2.982348     -5.175250     -0.079348
  H      -4.668111     -4.816802      0.345636
  H      -3.528887     -7.331389      0.683254
  H      -4.859187     -6.724591      1.710435
  C      -2.631817     -3.072464      1.399940
  C      -2.343187     -2.677491      0.066518
  C      -1.796706     -1.433563     -0.172522
  C      -1.554359     -0.521464      0.883558
  C      -1.801779     -0.890270      2.186842
  C      -2.279245     -2.191447      2.470739
  N      -2.565749     -2.663714      3.721827
  C      -2.050961     -2.100612      4.821418
  C      -0.751563     -1.526981      5.040014
  O      -0.402303     -0.870557      5.991843
  Cl      0.564847     -2.086343      3.846102
  C      -6.131638     -5.880592      4.625776
  C      -7.085562     -6.760246      5.182032
  C      -8.332014     -6.271936      5.546734
  C      -8.659912     -4.917408      5.348396
  C      -7.737304     -4.038077      4.798049
  C      -6.459316     -4.508048      4.443157
  N      -5.467368     -3.773579      3.819227
  C      -5.626313     -2.411331      3.753842
  C      -5.377674     -1.694944      2.564038
  O      -5.199065     -2.068605      1.421612
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  C      -1.224666     -4.971563      5.602903
  C       0.106616     -5.088557      6.067307
  C       0.415414     -4.699785      7.358688
  C      -0.581909     -4.179238      8.212391
  C      -1.891366     -4.069370      7.783955
  C      -2.239966     -4.488021      6.481981
  N      -3.496375     -4.404276      5.928201
  C      -4.597233     -4.253924      6.715174
  C      -4.821006     -5.017095      7.899088
  O      -4.182911     -5.913480      8.407290
  Cl     -6.430032     -4.501886      8.675683
  H      -2.598286     -3.324371     -0.770652
  H      -1.598498     -1.126567     -1.200755
  H      -1.204402      0.486392      0.659920
  H      -1.668821     -0.181787      3.003505
  H      -2.636240     -2.167790      5.736105
  H      -6.840075     -7.809280      5.344403
  H      -9.065352     -6.946772      5.989982
  H      -9.651977     -4.555612      5.620909
  H      -8.005996     -2.998872      4.608938
  H      -6.072818     -1.879665      4.596065
  H       0.891937     -5.438559      5.399152
  H       1.446378     -4.762640      7.708568
  H      -0.312263     -3.837861      9.212348
  H      -2.654827     -3.638773      8.430371
  H      -5.420770     -3.650917      6.348530
  N      -7.245353     -5.063511      1.219470
  N      -8.046195     -4.305886      1.234461
73
Coordinates from ORCA-job orca E -7352.690757282468
  N      -3.244321     -4.216610      1.780879
  C      -3.698475     -5.148802      0.754207
  C      -3.829208     -6.537033      1.386068
  N      -2.965750     -6.563929      2.591525
  C      -3.191070     -7.750226      3.450956
  C      -4.555524     -7.630913      4.104727
  N      -4.882092     -6.212970      4.191190
  Mo     -3.542569     -4.723381      3.762711
  N      -1.664904     -5.273381      4.350999
  C      -0.740815     -5.949628      3.445952
  C      -1.524978     -6.455734      2.236519
  H      -0.248915     -6.778873      3.980938
  H       0.053507     -5.262545      3.110743
  H      -1.159761     -7.439696      1.900805
  H      -1.430931     -5.757182      1.401130
  H      -5.334223     -8.149647      3.519638
  H      -4.532135     -8.101153      5.102099
  H      -3.094113     -8.672064      2.854668
  H      -2.402379     -7.743675      4.212136
  H      -2.978907     -5.177476     -0.078377
  H      -4.665507     -4.818368      0.343470
  H      -3.529104     -7.333132      0.684256
  H      -4.858668     -6.724111      1.710723
  C      -2.632309     -3.072787      1.399988
  C      -2.343528     -2.677737      0.066614
  C      -1.798611     -1.433060     -0.172484
  C      -1.557969     -0.520386      0.883491
  C      -1.805329     -0.889389      2.186788
  C      -2.281176     -2.191204      2.470790
  N      -2.567199     -2.663754      3.722075
  C      -2.051972     -2.100742      4.821478
  C      -0.752723     -1.526702      5.039229
  O      -0.403560     -0.869796      5.990550
  Cl      0.563256     -2.085423      3.844880
  C      -6.131187     -5.881647      4.626651
  C      -7.084395     -6.761137      5.184236
  C      -8.330800     -6.272912      5.549290
  C      -8.659139     -4.918664      5.349911
  C      -7.737020     -4.039473      4.798303
  C      -6.459100     -4.509315      4.442945
  N      -5.467722     -3.774766      3.818008
  C      -5.627466     -2.412686      3.751249
  C      -5.379457     -1.697282      2.561045
  O      -5.200801     -2.071692      1.418939
  Cl     -5.427225      0.139843      2.897645
  C      -1.224792     -4.972213      5.603010
  C       0.106229     -5.089590      6.067351
  C       0.414997     -4.700865      7.358736
  C      -0.582120     -4.179984      8.212338
  C      -1.891409     -4.069736      7.783856
  C      -2.240010     -4.488433      6.481927
  N      -3.496342     -4.404585      5.928083
  C      -4.597188     -4.253945      6.714993
  C      -4.820625     -5.016201      7.899584
  O      -4.182524     -5.912332      8.408208
  Cl     -6.430447     -4.501588      8.675387
  H      -2.597500     -3.325141     -0.770544
  H      -1.600419     -1.125964     -1.200726
  H      -1.209393      0.488024      0.659765
  H      -1.673748     -0.180495      3.003340
  H      -2.636465     -2.168570      5.736926
  H      -6.838360     -7.809844      5.347649
  H      -9.063718     -6.947610      5.993590
  H      -9.651149     -4.556932      5.622651
  H      -8.006170     -3.000685      4.608372
  H      -6.074014     -1.880428      4.593058
  H       0.891410     -5.439882      5.399184
  H       1.445825     -4.763998      7.708620
  H      -0.312502     -3.838624      9.212289
  H      -2.654673     -3.638907      8.430311
  H      -5.420877     -3.651444      6.347942
  N      -7.241048     -5.044189      1.211609
  N      -8.032272     -4.276996      1.236560
73
Coordinates from ORCA-job orca E -7352.690758572154
  N      -3.243424     -4.216744      1.780327
  C      -3.697022     -5.148698      0.753183
  C      -3.828357     -6.536949      1.384999
  N      -2.965789     -6.564236      2.590774
  C      -3.191897     -7.750914      3.449652
  C      -4.556239     -7.631117      4.103724
  N      -4.882234     -6.213313      4.190871
  Mo     -3.542694     -4.724160      3.762241
  N      -1.665213     -5.274267      4.350671
  C      -0.740828     -5.950103      3.445620
  C      -1.524748     -6.456700      2.236317
  H      -0.248427     -6.779106      3.980676
  H       0.053200     -5.262599      3.110392
  H      -1.159800     -7.440989      1.901292
  H      -1.430284     -5.758750      1.400473
  H      -5.335400     -8.149124      3.518763
  H      -4.532594     -8.101990      5.100803
  H      -3.096087     -8.672298      2.852633
  H      -2.402956     -7.745669      4.210588
  H      -2.976847     -5.177465     -0.078872
  H      -4.663862     -4.818106      0.341888
  H      -3.527916     -7.333151      0.683445
  H      -4.857788     -6.724070      1.708976
  C      -2.631568     -3.072582      1.400309
  C      -2.341833     -2.677074      0.067253
  C      -1.796940     -1.432293     -0.171125
  C      -1.557290     -0.519868      0.885248
  C      -1.805643     -0.889259      2.188236
  C      -2.281370     -2.191221      2.471579
  N      -2.567973     -2.663999      3.722652
  C      -2.053215     -2.100954      4.822239
  C      -0.754150     -1.526448      5.040478
  O      -0.405699     -0.869420      5.992143
  Cl      0.562724     -2.084486      3.846526
  C      -6.131266     -5.881416      4.626676
  C      -7.084126     -6.760384      5.185224
  C      -8.330245     -6.271652      5.551002
  C      -8.658592     -4.917481      5.351192
  C      -7.736696     -4.038822      4.798622
  C      -6.459006     -4.509018      4.442615
  N      -5.467821     -3.774753      3.817006
  C      -5.627770     -2.412716      3.749618
  C      -5.379798     -1.697857      2.559130
  O      -5.201333     -2.072666      1.416972
  Cl     -5.427246      0.139629      2.895554
  C      -1.224934     -4.972906      5.602610
  C       0.106526     -5.089448      6.066537
  C       0.415681     -4.699980      7.357682
  C      -0.581794     -4.179817      8.211558
  C      -1.891602     -4.070539      7.783479
  C      -2.240227     -4.489240      6.481573
  N      -3.496512     -4.405015      5.927698
  C      -4.597405     -4.253695      6.714311
  C      -4.821179     -5.014937      7.899477
  O      -4.183847     -5.911002      8.408860
  Cl     -6.431077     -4.499542      8.674316
  H      -2.595016     -3.324297     -0.770261
  H      -1.597960     -1.124929     -1.199133
  H      -1.208673      0.488574      0.662066
  H      -1.674823     -0.180595      3.005078
  H      -2.638007     -2.168666      5.737390
  H      -6.837927     -7.808910      5.349364
  H      -9.062797     -6.945863      5.996294
  H      -9.650362     -4.555260      5.624488
  H      -8.005872     -3.000067      4.608458
  H      -6.074276     -1.880086      4.591354
  H       0.891955     -5.439038      5.398022
  H       1.447219     -4.761782      7.707107
  H      -0.312035     -3.838032      9.211356
  H      -2.655078     -3.640083      8.430237
  H      -5.420898     -3.651476      6.346613
  N      -7.243661     -5.047703      1.215518
  N      -8.036935     -4.282805      1.243018
73
Coordinates from ORCA-job orca E -7352.690760179036
  N      -3.243203     -4.216994      1.780483
  C      -3.696550     -5.148790      0.753204
  C      -3.828507     -6.536841      1.385208
  N      -2.966127     -6.564417      2.591156
  C      -3.192680     -7.751149      3.449832
  C      -4.556847     -7.631277      4.103714
  N      -4.882599     -6.213380      4.191353
  Mo     -3.543056     -4.724596      3.762804
  N      -1.665184     -5.274510      4.350685
  C      -0.740827     -5.949659      3.445204
  C      -1.525068     -6.457514      2.236585
  H      -0.247090     -6.777891      3.980146
  H       0.052190     -5.261368      3.109235
  H      -1.160470     -7.442296      1.902616
  H      -1.430589     -5.760626      1.399860
  H      -5.335862     -8.148808      3.518340
  H      -4.533550     -8.102639      5.100472
  H      -3.096923     -8.672471      2.852783
  H      -2.403865     -7.746140      4.210865
  H      -2.976185     -5.177788     -0.078578
  H      -4.663133     -4.818015      0.341697
  H      -3.528215     -7.333201      0.683917
  H      -4.857704     -6.723551      1.709106
  C      -2.631465     -3.072683      1.400845
  C      -2.341358     -2.677044      0.067860
  C      -1.796739     -1.432121     -0.170356
  C      -1.557669     -0.519637      0.886121
  C      -1.806325     -0.889191      2.189013
  C      -2.281739     -2.191316      2.472226
  N      -2.568381     -2.664117      3.723329
  C      -2.053615     -2.100674      4.822678
  C      -0.754649     -1.525649      5.040577
  O      -0.406160     -0.868609      5.992202
  Cl      0.562298     -2.083968      3.846983
  C      -6.131716     -5.881288      4.626886
  C      -7.084605     -6.760243      5.185337
  C      -8.330899     -6.271593      5.550539
  C      -8.659158     -4.917549      5.350228
  C      -7.737024     -4.038840      4.797925
  C      -6.459205     -4.508926      4.442382
  N      -5.467809     -3.774547      3.817092
  C      -5.627797     -2.412563      3.749130
  C      -5.379476     -1.698230      2.558400
  O      -5.200555     -2.073233      1.416305
  Cl     -5.428028      0.139475      2.894141
  C      -1.224507     -4.973001      5.602437
  C       0.107023     -5.089482      6.065905
  C       0.416490     -4.700102      7.356958
  C      -0.580635     -4.179903      8.211169
  C      -1.890458     -4.070503      7.783467
  C      -2.239473     -4.489284      6.481710
  N      -3.495965     -4.405137      5.928213
  C      -4.596867     -4.254075      6.714830
  C      -4.820077     -5.014510      7.900684
  O      -4.181945     -5.909394      8.411155
  Cl     -6.430286     -4.499585      8.675157
  H      -2.594150     -3.324317     -0.769747
  H      -1.597558     -1.124670     -1.198314
  H      -1.209299      0.488927      0.663066
  H      -1.676021     -0.180512      3.005926
  H      -2.638220     -2.168032      5.737808
  H      -6.838366     -7.808749      5.349813
  H      -9.063624     -6.945850      5.995671
  H      -9.651002     -4.555301      5.623035
  H      -8.006199     -3.000126      4.607495
  H      -6.074593     -1.879696      4.590515
  H       0.892186     -5.439028      5.397110
  H       1.447961     -4.762035      7.706076
  H      -0.310612     -3.838230      9.210917
  H      -2.653615     -3.640014      8.430537
  H      -5.421008     -3.653158      6.346514
  N      -7.243799     -5.047599      1.211740
  N      -8.036841     -4.282565      1.243274
73
Coordinates from ORCA-job orca E -7352.690762362864
  N      -3.242367     -4.217490      1.780656
  C      -3.695669     -5.148564      0.752805
  C      -3.829041     -6.536596      1.384309
  N      -2.966936     -6.564815      2.590906
  C      -3.194088     -7.751677      3.449203
  C      -4.558161     -7.631614      4.103016
  N      -4.883378     -6.213456      4.191556
  Mo     -3.543769     -4.725335      3.763395
  N      -1.665622     -5.275088      4.350345
  C      -0.741194     -5.948591      3.443797
  C      -1.525792     -6.458836      2.236270
  H      -0.244526     -6.775273      3.978209
  H       0.049515     -5.258331      3.106534
  H      -1.161770     -7.444554      1.904528
  H      -1.431038     -5.763978      1.397951
  H      -5.337192     -8.148395      3.516819
  H      -4.535565     -8.103682      5.099407
  H      -3.098300     -8.673122      2.852063
  H      -2.405258     -7.746848      4.210376
  H      -2.974903     -5.177890     -0.078605
  H      -4.661713     -4.816910      0.340963
  H      -3.528442     -7.332925      0.683112
  H      -4.858686     -6.722978      1.707837
  C      -2.630233     -3.073136      1.402012
  C      -2.338816     -2.677347      0.069296
  C      -1.794304     -1.432324     -0.168422
  C      -1.556589     -0.519688      0.888294
  C      -1.806445     -0.889381      2.190871
  C      -2.281653     -2.191708      2.473719
  N      -2.569122     -2.664366      3.724696
  C      -2.055008     -2.100651      4.824115
  C      -0.756314     -1.525231      5.042504
  O      -0.408289     -0.868251      5.994295
  Cl      0.561167     -2.083061      3.849380
  C      -6.132437     -5.881049      4.627156
  C      -7.085290     -6.759853      5.185738
  C      -8.331463     -6.270739      5.551047
  C      -8.659424     -4.916577      5.350448
  C      -7.737160     -4.038248      4.797860
  C      -6.459359     -4.508621      4.442470
  N      -5.467810     -3.774422      3.817271
  C      -5.628028     -2.412550      3.747833
  C      -5.380316     -1.699693      2.556101
  O      -5.200667     -2.075732      1.414560
  Cl     -5.431678      0.138513      2.889235
  C      -1.224154     -4.973175      5.601825
  C       0.107707     -5.088852      6.064544
  C       0.417777     -4.698948      7.355304
  C      -0.578879     -4.178677      8.209916
  C      -1.888941     -4.069795      7.782887
  C      -2.238653     -4.489391      6.481562
  N      -3.495558     -4.405800      5.928699
  C      -4.596326     -4.254964      6.715387
  C      -4.818723     -5.014253      7.902201
  O      -4.179333     -5.907428      8.414174
  Cl     -6.429934     -4.500901      8.675463
  H      -2.590671     -3.324689     -0.768539
  H      -1.594220     -1.124848     -1.196189
  H      -1.208368      0.489023      0.665600
  H      -1.677332     -0.180612      3.007901
  H      -2.639841     -2.168325      5.739280
  H      -6.839078     -7.808373      5.350603
  H      -9.064146     -6.944651      5.996587
  H      -9.651150     -4.553832      5.623231
  H      -8.006179     -2.999352      4.607274
  H      -6.075050     -1.878972      4.588626
  H       0.892582     -5.438147      5.395425
  H       1.449343     -4.760466      7.703863
  H      -0.308349     -3.836581      9.209400
  H      -2.651636     -3.639130      8.430232
  H      -5.421432     -3.655999      6.346120
  N      -7.244232     -5.049299      1.208856
  N      -8.037668     -4.284898      1.247491
73
Coordinates from ORCA-job orca E -7352.690763435927
  N      -3.242029     -4.217303      1.780806
  C      -3.695705     -5.148086      0.752970
  C      -3.829468     -6.536135      1.384229
  N      -2.967353     -6.564721      2.591033
  C      -3.194851     -7.751656      3.449132
  C      -4.558966     -7.631249      4.102868
  N      -4.883782     -6.212988      4.191541
  Mo     -3.543899     -4.725313      3.763718
  N      -1.665644     -5.275253      4.350324
  C      -0.741257     -5.948077      3.443262
  C      -1.526237     -6.459154      2.236212
  H      -0.243334     -6.774233      3.977338
  H       0.048466     -5.256906      3.105438
  H      -1.162544     -7.445254      1.905219
  H      -1.431366     -5.764974      1.397300
  H      -5.338139     -8.147368      3.516332
  H      -4.536973     -8.103517      5.099228
  H      -3.099233     -8.673011      2.851924
  H      -2.406035     -7.747228      4.210425
  H      -2.975238     -5.177473     -0.078781
  H      -4.661786     -4.815921      0.341425
  H      -3.528750     -7.332501      0.683082
  H      -4.859087     -6.722297      1.707773
  C      -2.629807     -3.072961      1.402425
  C      -2.338224     -2.677040      0.069759
  C      -1.793862     -1.431935     -0.167827
  C      -1.556385     -0.519334      0.889010
  C      -1.806292     -0.889206      2.191522
  C      -2.281417     -2.191623      2.474250
  N      -2.568873     -2.664420      3.725190
  C      -2.054734     -2.100667      4.824582
  C      -0.755966     -1.525211      5.042903
  O      -0.407701     -0.868611      5.994903
  Cl      0.561482     -2.082972      3.849447
  C      -6.132822     -5.880377      4.627065
  C      -7.085966     -6.759048      5.185472
  C      -8.332306     -6.269923      5.550039
  C      -8.660048     -4.915912      5.348863
  C      -7.737341     -4.037569      4.796804
  C      -6.459367     -4.507991      4.442217
  N      -5.467542     -3.773893      3.817336
  C      -5.627636     -2.411964      3.747968
  C      -5.379870     -1.699086      2.556393
  O      -5.199957     -2.075044      1.414952
  Cl     -5.431739      0.139305      2.889434
  C      -1.223911     -4.973383      5.601699
  C       0.108054     -5.088989      6.064150
  C       0.418413     -4.698938      7.354778
  C      -0.578017     -4.178423      8.209522
  C      -1.888165     -4.069559      7.782740
  C      -2.238207     -4.489488      6.481617
  N      -3.495309     -4.406004      5.929057
  C      -4.596006     -4.255357      6.715872
  C      -4.818092     -5.014299      7.903069
  O      -4.178004     -5.906692      8.415592
  Cl     -6.429565     -4.501569      8.676062
  H      -2.589899     -3.324413     -0.768110
  H      -1.593714     -1.124346     -1.195553
  H      -1.208339      0.489475      0.666433
  H      -1.677344     -0.180509      3.008650
  H      -2.639594     -2.168361      5.739742
  H      -6.839921     -7.807529      5.350529
  H      -9.065359     -6.943843      5.995243
  H      -9.651978     -4.553290      5.620691
  H      -8.006336     -2.999004      4.605562
  H      -6.074738     -1.878349      4.588639
  H       0.892822     -5.438281      5.394904
  H       1.450064     -4.760419      7.703112
  H      -0.307215     -3.836101      9.208849
  H      -2.650637     -3.638615      8.430136
  H      -5.421558     -3.657144      6.346316
  N      -7.243320     -5.056799      1.208971
  N      -8.040126     -4.296068      1.249873
73
Coordinates from ORCA-job orca E -7352.690764879180
  N      -3.241173     -4.216719      1.780894
  C      -3.694848     -5.147118      0.752774
  C      -3.829895     -6.535157      1.383431
  N      -2.967893     -6.564706      2.590593
  C      -3.195984     -7.751999      3.447913
  C      -4.559977     -7.631046      4.101772
  N      -4.883912     -6.212549      4.191174
  Mo     -3.543848     -4.725329      3.763746
  N      -1.665624     -5.275713      4.350257
  C      -0.741456     -5.948551      3.443002
  C      -1.526710     -6.459497      2.235962
  H      -0.243227     -6.774741      3.976780
  H       0.047977     -5.257035      3.105076
  H      -1.163368     -7.445809      1.905158
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  H      -4.538975     -8.103816      5.097895
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  H      -2.974214     -5.176753     -0.078926
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  H      -3.529540     -7.331729      0.682302
  H      -4.859730     -6.720326      1.706897
  C      -2.629024     -3.072229      1.402995
  C      -2.337199     -2.675914      0.070482
  C      -1.793272     -1.430585     -0.166678
  C      -1.556377     -0.518172      0.890492
  C      -1.806352     -0.888466      2.192847
  C      -2.281160     -2.191106      2.475149
  N      -2.568750     -2.664314      3.725857
  C      -2.054998     -2.100487      4.825380
  C      -0.756161     -1.525150      5.043985
  O      -0.407729     -0.868486      5.995925
  Cl      0.561139     -2.083059      3.850423
  C      -6.132642     -5.879679      4.627275
  C      -7.085899     -6.758095      5.185988
  C      -8.332040     -6.268534      5.550682
  C      -8.659502     -4.914426      5.349195
  C      -7.736712     -4.036374      4.796897
  C      -6.458772     -4.507233      4.442481
  N      -5.467033     -3.773694      3.816975
  C      -5.627317     -2.411836      3.746359
  C      -5.380709     -1.700355      2.553709
  O      -5.200724     -2.077651      1.412776
  Cl     -5.434414      0.138611      2.883901
  C      -1.223857     -4.974115      5.601618
  C       0.108006     -5.090144      6.064145
  C       0.418461     -4.699864      7.354621
  C      -0.577730     -4.178364      8.209125
  C      -1.887760     -4.069114      7.782276
  C      -2.237988     -4.489752      6.481468
  N      -3.495213     -4.406338      5.929138
  C      -4.595656     -4.255298      6.716191
  C      -4.817662     -5.013537      7.903979
  O      -4.177251     -5.905519      8.416853
  Cl     -6.429209     -4.501011      8.676504
  H      -2.588365     -3.323317     -0.767506
  H      -1.592990     -1.122652     -1.194270
  H      -1.208776      0.490829      0.668240
  H      -1.677768     -0.180010      3.010250
  H      -2.640189     -2.167913      5.740068
  H      -6.840074     -7.806662      5.350903
  H      -9.065150     -6.942138      5.996229
  H      -9.651384     -4.551507      5.620908
  H      -8.005677     -2.997781      4.605401
  H      -6.074274     -1.877372      4.586462
  H       0.892693     -5.440011      5.395088
  H       1.449986     -4.761851      7.702998
  H      -0.306780     -3.835605      9.208216
  H      -2.650064     -3.637356      8.429390
  H      -5.421353     -3.657347      6.346456
  N      -7.240414     -5.065740      1.209726
  N      -8.041746     -4.310226      1.257539
73
Coordinates from ORCA-job orca E -7352.690767270604
  N      -3.240187     -4.215865      1.781175
  C      -3.694143     -5.145770      0.752821
  C      -3.830491     -6.533886      1.382776
  N      -2.968570     -6.564684      2.590079
  C      -3.197275     -7.752472      3.446424
  C      -4.561057     -7.630899      4.100653
  N      -4.883830     -6.212128      4.191038
  Mo     -3.543528     -4.725337      3.763692
  N      -1.665475     -5.276441      4.350340
  C      -0.741815     -5.950059      3.443167
  C      -1.527293     -6.459785      2.235728
  H      -0.244547     -6.776912      3.976714
  H       0.048220     -5.259136      3.105590
  H      -1.164205     -7.445980      1.904283
  H      -1.431224     -5.764975      1.397461
  H      -5.341102     -8.144256      3.512793
  H      -4.540910     -8.104376      5.096347
  H      -3.103039     -8.673210      2.847972
  H      -2.408181     -7.750357      4.207472
  H      -2.973550     -5.175579     -0.078956
  H      -4.659504     -4.811521      0.340658
  H      -3.530924     -7.330773      0.681653
  H      -4.860592     -6.717585      1.706229
  C      -2.628366     -3.071169      1.403610
  C      -2.336626     -2.674361      0.071234
  C      -1.793388     -1.428685     -0.165476
  C      -1.557077     -0.516513      0.892054
  C      -1.806769     -0.887320      2.194296
  C      -2.281006     -2.190283      2.476140
  N      -2.568359     -2.664261      3.726590
  C      -2.054439     -2.101005      4.826422
  C      -0.755264     -1.526523      5.044936
  O      -0.406164     -0.870435      5.996962
  Cl      0.561375     -2.084413      3.850260
  C      -6.132378     -5.879026      4.627440
  C      -7.085899     -6.757121      5.186454
  C      -8.331943     -6.267304      5.550919
  C      -8.659277     -4.913301      5.348741
  C      -7.736385     -4.035470      4.796219
  C      -6.458372     -4.506616      4.442404
  N      -5.466434     -3.773674      3.816391
  C      -5.626893     -2.411747      3.745022
  C      -5.381057     -1.701075      2.551811
  O      -5.201315     -2.079302      1.411086
  Cl     -5.435508      0.138353      2.880502
  C      -1.223770     -4.974915      5.601681
  C       0.108078     -5.091194      6.064470
  C       0.418706     -4.699949      7.354642
  C      -0.577405     -4.177220      8.208617
  C      -1.887529     -4.068198      7.781700
  C      -2.237868     -4.489947      6.481271
  N      -3.495184     -4.406825      5.929034
  C      -4.595289     -4.254942      6.716324
  C      -4.817130     -5.011938      7.904928
  O      -4.176557     -5.903579      8.418224
  Cl     -6.428315     -4.498609      8.677175
  H      -2.587294     -3.321824     -0.766843
  H      -1.593189     -1.120261     -1.192930
  H      -1.210151      0.492769      0.670095
  H      -1.678403     -0.179184      3.012010
  H      -2.639742     -2.168959      5.741415
  H      -6.840300     -7.805638      5.351421
  H      -9.065143     -6.940617      5.996784
  H      -9.651241     -4.550307      5.620052
  H      -8.005421     -2.997029      4.604164
  H      -6.073611     -1.876574      4.584885
  H       0.892757     -5.441910      5.395788
  H       1.450354     -4.761989      7.703105
  H      -0.306244     -3.833298      9.207271
  H      -2.649832     -3.635441      8.428230
  H      -5.420811     -3.656682      6.346542
  N      -7.236763     -5.076954      1.207931
  N      -8.043514     -4.327947      1.265539
73
Coordinates from ORCA-job orca E -7352.690769420863
  N      -3.239426     -4.215226      1.781310
  C      -3.693546     -5.144832      0.752657
  C      -3.830779     -6.533027      1.382298
  N      -2.968857     -6.564674      2.589437
  C      -3.197825     -7.752833      3.445206
  C      -4.561471     -7.630814      4.099712
  N      -4.883371     -6.211990      4.191180
  Mo     -3.543222     -4.725217      3.763309
  N      -1.665287     -5.276769      4.350150
  C      -0.742042     -5.951495      3.443344
  C      -1.527500     -6.459805      2.235342
  H      -0.246336     -6.779242      3.977021
  H       0.049202     -5.261714      3.106256
  H      -1.164362     -7.445659      1.902944
  H      -1.431133     -5.764073      1.397879
  H      -5.341836     -8.143082      3.511377
  H      -4.541792     -8.105189      5.094986
  H      -3.104605     -8.673174      2.846092
  H      -2.408475     -7.751789      4.205982
  H      -2.972725     -5.174837     -0.078945
  H      -4.658618     -4.809999      0.340140
  H      -3.532218     -7.330240      0.681061
  H      -4.861206     -6.715559      1.705700
  C      -2.627593     -3.070528      1.403828
  C      -2.335660     -2.673568      0.071555
  C      -1.792634     -1.427747     -0.164844
  C      -1.556730     -0.515682      0.892876
  C      -1.806518     -0.886610      2.195052
  C      -2.280624     -2.189689      2.476598
  N      -2.568442     -2.663878      3.726768
  C      -2.055250     -2.100598      4.826961
  C      -0.756136     -1.526273      5.046215
  O      -0.407473     -0.869849      5.998219
  Cl      0.561019     -2.084228      3.852233
  C      -6.131761     -5.878849      4.627963
  C      -7.085201     -6.756829      5.187350
  C      -8.330997     -6.266841      5.552398
  C      -8.658419     -4.912701      5.350350
  C      -7.735898     -4.035065      4.797041
  C      -6.458085     -4.506465      4.442788
  N      -5.466251     -3.774099      3.815797
  C      -5.627170     -2.412205      3.743248
  C      -5.381696     -1.702443      2.549423
  O      -5.201725     -2.081686      1.409001
  Cl     -5.436497      0.137269      2.876667
  C      -1.223820     -4.975382      5.601518
  C       0.107827     -5.092278      6.064675
  C       0.418332     -4.700683      7.354744
  C      -0.577720     -4.176980      8.208232
  C      -1.887683     -4.067685      7.781097
  C      -2.237937     -4.489906      6.480798
  N      -3.495162     -4.406924      5.928450
  C      -4.595122     -4.254363      6.715875
  C      -4.817159     -5.010974      7.904715
  O      -4.177074     -5.903050      8.417760
  Cl     -6.427614     -4.496341      8.677439
  H      -2.585996     -3.321052     -0.766595
  H      -1.592276     -1.119103     -1.192198
  H      -1.210024      0.493712      0.671058
  H      -1.678336     -0.178595      3.012914
  H      -2.641339     -2.167924      5.741180
  H      -6.839703     -7.805484      5.351979
  H      -9.063980     -6.940078      5.998672
  H      -9.650260     -4.549599      5.622176
  H      -8.005142     -2.996674      4.604890
  H      -6.073862     -1.876321      4.582767
  H       0.892454     -5.443887      5.396357
  H       1.449855     -4.763221      7.703458
  H      -0.306599     -3.832534      9.206692
  H      -2.650032     -3.634280      8.427171
  H      -5.420158     -3.655278      6.346344
  N      -7.235301     -5.081506      1.205347
  N      -8.044579     -4.336206      1.274214
73
Coordinates from ORCA-job orca E -7352.690771707027
  N      -3.238973     -4.214471      1.781576
  C      -3.693552     -5.143708      0.752626
  C      -3.831053     -6.532092      1.382078
  N      -2.969136     -6.564348      2.588877
  C      -3.198187     -7.752790      3.444319
  C      -4.561639     -7.630627      4.099125
  N      -4.883040     -6.211862      4.191631
  Mo     -3.543097     -4.724817      3.762926
  N      -1.665162     -5.276806      4.349846
  C      -0.742287     -5.952446      3.443352
  C      -1.527712     -6.459558      2.234901
  H      -0.248094     -6.780988      3.977244
  H       0.050200     -5.263925      3.106643
  H      -1.164476     -7.445073      1.901643
  H      -1.431338     -5.763133      1.398039
  H      -5.342052     -8.142394      3.510397
  H      -4.542083     -8.105937      5.093865
  H      -3.105884     -8.672872      2.844582
  H      -2.408521     -7.752454      4.204631
  H      -2.972750     -5.173686     -0.078926
  H      -4.658575     -4.808651      0.340354
  H      -3.533342     -7.329381      0.680576
  H      -4.861674     -6.713933      1.705206
  C      -2.626940     -3.069863      1.404045
  C      -2.334694     -2.672908      0.071866
  C      -1.791316     -1.427181     -0.164270
  C      -1.555468     -0.515264      0.893555
  C      -1.805659     -0.886094      2.195675
  C      -2.280113     -2.189089      2.476990
  N      -2.568500     -2.663368      3.726958
  C      -2.055742     -2.100410      4.827580
  C      -0.756674     -1.526409      5.047506
  O      -0.408529     -0.870191      5.999826
  Cl      0.561095     -2.084057      3.854174
  C      -6.131396     -5.878748      4.628531
  C      -7.084782     -6.756680      5.188047
  C      -8.330453     -6.266726      5.553498
  C      -8.658016     -4.912586      5.351690
  C      -7.735721     -4.034921      4.797914
  C      -6.458180     -4.506402      4.443119
  N      -5.466390     -3.774408      3.815394
  C      -5.627694     -2.412587      3.741593
  C      -5.382132     -1.703647      2.547199
  O      -5.201905     -2.083779      1.406975
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  C      -1.223862     -4.975460      5.601227
  C       0.107700     -5.092705      6.064622
  C       0.418085     -4.700896      7.354656
  C      -0.578048     -4.176905      8.207910
  C      -1.887949     -4.067603      7.780696
  C      -2.238044     -4.489773      6.480321
  N      -3.495111     -4.406817      5.927753
  C      -4.594982     -4.253524      6.715227
  C      -4.817079     -5.009910      7.904099
  O      -4.177558     -5.902540      8.416822
  Cl     -6.426788     -4.493824      8.677609
  H      -2.584975     -3.320261     -0.766396
  H      -1.590619     -1.118485     -1.191541
  H      -1.208374      0.494013      0.671845
  H      -1.677424     -0.178154      3.013572
  H      -2.642498     -2.167590      5.741540
  H      -6.839363     -7.805309      5.352559
  H      -9.063253     -6.939970      5.999979
  H      -9.649690     -4.549438      5.624171
  H      -8.005000     -2.996350      4.606044
  H      -6.074602     -1.876206      4.580648
  H       0.892309     -5.444777      5.396474
  H       1.449590     -4.763585      7.703508
  H      -0.307036     -3.832247      9.206324
  H      -2.650484     -3.634146      8.426568
  H      -5.419474     -3.653558      6.345977
  N      -7.235250     -5.086222      1.201249
  N      -8.047000     -4.344970      1.283633
73
Coordinates from ORCA-job orca E -7352.690773672231
  N      -3.238970     -4.213923      1.781673
  C      -3.693903     -5.142862      0.752439
  C      -3.831164     -6.531450      1.381825
  N      -2.969349     -6.563802      2.588411
  C      -3.198291     -7.752307      3.443999
  C      -4.561713     -7.630270      4.098775
  N      -4.883102     -6.211685      4.191941
  Mo     -3.543279     -4.724208      3.762498
  N      -1.665312     -5.276624      4.349458
  C      -0.742595     -5.952563      3.443096
  C      -1.527874     -6.459164      2.234453
  H      -0.249228     -6.781444      3.977154
  H       0.050630     -5.264875      3.106596
  H      -1.164621     -7.444534      1.900858
  H      -1.431675     -5.762622      1.397733
  H      -5.341892     -8.142075      3.509767
  H      -4.542155     -8.106424      5.093094
  H      -3.106312     -8.672288      2.844078
  H      -2.408444     -7.751970      4.204143
  H      -2.973024     -5.172669     -0.078892
  H      -4.658956     -4.807952      0.340596
  H      -3.533680     -7.328477      0.679972
  H      -4.861944     -6.713381      1.704370
  C      -2.626442     -3.069514      1.404077
  C      -2.333734     -2.672726      0.071977
  C      -1.789538     -1.427278     -0.164018
  C      -1.553432     -0.515450      0.893799
  C      -1.804291     -0.886036      2.195872
  C      -2.279533     -2.188785      2.477070
  N      -2.568630     -2.662893      3.726955
  C      -2.056437     -2.100063      4.827908
  C      -0.757603     -1.525925      5.048725
  O      -0.410382     -0.869800      6.001451
  Cl      0.561191     -2.082981      3.856598
  C      -6.131407     -5.878571      4.628976
  C      -7.084738     -6.756540      5.188338
  C      -8.330248     -6.266479      5.554382
  C      -8.657735     -4.912242      5.353258
  C      -7.735603     -4.034666      4.799054
  C      -6.458403     -4.506180      4.443472
  N      -5.466723     -3.774339      3.815275
  C      -5.627862     -2.412483      3.740686
  C      -5.382101     -1.704211      2.546039
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  C      -1.224017     -4.975270      5.600840
  C       0.107530     -5.092646      6.064256
  C       0.417868     -4.700907      7.354340
  C      -0.578264     -4.177178      8.207656
  C      -1.888146     -4.067877      7.780501
  C      -2.238197     -4.489590      6.479925
  N      -3.495125     -4.406502      5.927128
  C      -4.595053     -4.252840      6.714604
  C      -4.817338     -5.009873      7.902928
  O      -4.178512     -5.903357      8.414977
  Cl     -6.426390     -4.492725      8.677563
  H      -2.584296     -3.319795     -0.766428
  H      -1.588424     -1.118705     -1.191248
  H      -1.205515      0.493602      0.672150
  H      -1.675935     -0.178026      3.013685
  H      -2.643876     -2.166947      5.741415
  H      -6.839560     -7.805383      5.352498
  H      -9.063031     -6.939818      6.000730
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  H      -6.074326     -1.875601      4.579825
  H       0.892056     -5.444693      5.396043
  H       1.449361     -4.763531      7.703186
  H      -0.307317     -3.832725      9.206183
  H      -2.650714     -3.634752      8.426455
  H      -5.419122     -3.652135      6.345729
  N      -7.236171     -5.091321      1.196956
  N      -8.050395     -4.354323      1.292501
73
Coordinates from ORCA-job orca E -7352.690775028448
  N      -3.239367     -4.213373      1.781709
  C      -3.694751     -5.142166      0.752431
  C      -3.831161     -6.530969      1.381800
  N      -2.969340     -6.563015      2.588265
  C      -3.198046     -7.751425      3.444224
  C      -4.561493     -7.629682      4.098943
  N      -4.883377     -6.211336      4.192047
  Mo     -3.543594     -4.723399      3.762227
  N      -1.665525     -5.276052      4.349135
  C      -0.742616     -5.951465      3.442608
  C      -1.527895     -6.458398      2.234085
  H      -0.248834     -6.780231      3.976686
  H       0.050543     -5.263583      3.106008
  H      -1.164722     -7.443863      1.900643
  H      -1.432060     -5.762184      1.397002
  H      -5.341412     -8.142005      3.510001
  H      -4.541764     -8.106094      5.093186
  H      -3.105861     -8.671450      2.844446
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  H      -2.974125     -5.171624     -0.079094
  H      -4.660240     -4.807599      0.341478
  H      -3.533302     -7.327458      0.679479
  H      -4.861875     -6.713890      1.703868
  C      -2.626280     -3.069189      1.404054
  C      -2.333222     -2.672613      0.071988
  C      -1.787938     -1.427594     -0.164005
  C      -1.551166     -0.515895      0.893752
  C      -1.802664     -0.886225      2.195796
  C      -2.278973     -2.188595      2.476989
  N      -2.568483     -2.662484      3.726944
  C      -2.056275     -2.099905      4.827995
  C      -0.757518     -1.525772      5.049261
  O      -0.410727     -0.870293      6.002578
  Cl      0.561730     -2.082130      3.857590
  C      -6.131658     -5.878223      4.629059
  C      -7.085006     -6.756204      5.188155
  C      -8.330543     -6.266152      5.554285
  C      -8.657786     -4.911854      5.353780
  C      -7.735466     -4.034182      4.799802
  C      -6.458532     -4.505750      4.443619
  N      -5.467088     -3.773803      3.815315
  C      -5.627904     -2.411976      3.740319
  C      -5.381979     -1.704124      2.545382
  O      -5.202210     -2.085415      1.405399
  Cl     -5.435386      0.135334      2.870011
  C      -1.224198     -4.974881      5.600557
  C       0.107390     -5.092230      6.063824
  C       0.417613     -4.701179      7.354122
  C      -0.578629     -4.178410      8.207865
  C      -1.888475     -4.068892      7.780772
  C      -2.238426     -4.489559      6.479826
  N      -3.495192     -4.405941      5.926851
  C      -4.595259     -4.252165      6.714267
  C      -4.817931     -5.010320      7.901712
  O      -4.179732     -5.904639      8.413083
  Cl     -6.426710     -4.492691      8.677169
  H      -2.584318     -3.319337     -0.766537
  H      -1.586456     -1.119263     -1.191238
  H      -1.202138      0.492807      0.672156
  H      -1.673918     -0.178161      3.013486
  H      -2.643905     -2.166886      5.741500
  H      -6.839952     -7.804915      5.352484
  H      -9.063434     -6.939503      6.000392
  H      -9.648998     -4.548490      5.627535
  H      -8.004280     -2.995324      4.608741
  H      -6.074217     -1.875045      4.579342
  H       0.891943     -5.443593      5.395293
  H       1.449096     -4.763658      7.702879
  H      -0.307835     -3.834829      9.206729
  H      -2.651088     -3.636533      8.427170
  H      -5.419041     -3.650930      6.345695
  N      -7.238235     -5.097689      1.194008
  N      -8.055207     -4.365204      1.300439
73
Coordinates from ORCA-job orca E -7352.690776750344
  N      -3.239878     -4.212903      1.781502
  C      -3.695341     -5.141703      0.752271
  C      -3.830951     -6.530650      1.381533
  N      -2.969297     -6.562185      2.588158
  C      -3.197776     -7.750424      3.444461
  C      -4.561349     -7.629078      4.099015
  N      -4.883830     -6.210825      4.191576
  Mo     -3.543817     -4.722660      3.761967
  N      -1.665836     -5.275632      4.349012
  C      -0.742726     -5.950419      3.442314
  C      -1.527870     -6.457594      2.233873
  H      -0.248477     -6.778940      3.976182
  H       0.050095     -5.262175      3.105855
  H      -1.164921     -7.443207      1.900644
  H      -1.432111     -5.761701      1.396559
  H      -5.341112     -8.142149      3.510400
  H      -4.541325     -8.105233      5.093380
  H      -3.104728     -8.670628      2.845019
  H      -2.408039     -7.748877      4.204708
  H      -2.974869     -5.170822     -0.079333
  H      -4.661127     -4.807459      0.341917
  H      -3.532182     -7.326485      0.678882
  H      -4.861516     -6.714787      1.703134
  C      -2.626383     -3.068846      1.403931
  C      -2.333279     -2.672301      0.071881
  C      -1.787216     -1.427600     -0.164131
  C      -1.549750     -0.516079      0.893614
  C      -1.801534     -0.886388      2.195636
  C      -2.278587     -2.188480      2.476808
  N      -2.568069     -2.662313      3.726892
  C      -2.055633     -2.099937      4.827865
  C      -0.756928     -1.525626      5.049341
  O      -0.410404     -0.870435      6.002949
  Cl      0.562453     -2.081459      3.857826
  C      -6.131991     -5.877494      4.628743
  C      -7.085526     -6.755402      5.187540
  C      -8.330980     -6.265051      5.553781
  C      -8.657739     -4.910654      5.353805
  C      -7.735141     -4.033149      4.800090
  C      -6.458335     -4.504844      4.443628
  N      -5.467088     -3.772854      3.815419
  C      -5.627075     -2.410925      3.740712
  C      -5.381511     -1.703351      2.545641
  O      -5.202855     -2.084999      1.405651
  Cl     -5.433347      0.136058      2.869953
  C      -1.224460     -4.974751      5.600523
  C       0.107150     -5.092070      6.063644
  C       0.417369     -4.701677      7.354158
  C      -0.578867     -4.179733      8.208298
  C      -1.888723     -4.069947      7.781220
  C      -2.238690     -4.489726      6.479975
  N      -3.495347     -4.405449      5.926880
  C      -4.595525     -4.251665      6.714238
  C      -4.818776     -5.011105      7.900670
  O      -4.181220     -5.906334      8.411325
  Cl     -6.427552     -4.493365      8.676496
  H      -2.584965     -3.318677     -0.766744
  H      -1.585654     -1.119385     -1.191384
  H      -1.199951      0.492390      0.672120
  H      -1.672403     -0.178334      3.013266
  H      -2.643065     -2.167258      5.741439
  H      -6.840844     -7.804389      5.351657
  H      -9.064204     -6.938388      5.999458
  H      -9.648815     -4.547166      5.627666
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  H      -6.072347     -1.873861      4.580234
  H       0.891696     -5.442703      5.394815
  H       1.448855     -4.763987      7.702833
  H      -0.308105     -3.836959      9.207472
  H      -2.651199     -3.638131      8.428037
  H      -5.419032     -3.649849      6.345996
  N      -7.240244     -5.106917      1.193207
  N      -8.061217     -4.379933      1.306421
73
Coordinates from ORCA-job orca E -7352.690778201460
  N      -3.240322     -4.212432      1.781212
  C      -3.695988     -5.141357      0.752270
  C      -3.830664     -6.530434      1.381405
  N      -2.969006     -6.561470      2.588177
  C      -3.197312     -7.749543      3.444732
  C      -4.560975     -7.628439      4.099223
  N      -4.884023     -6.210252      4.190912
  Mo     -3.543805     -4.722009      3.761768
  N      -1.665963     -5.275106      4.349064
  C      -0.742529     -5.949319      3.442221
  C      -1.527642     -6.456638      2.233764
  H      -0.247665     -6.777712      3.975870
  H       0.049896     -5.260403      3.105933
  H      -1.164832     -7.442326      1.900511
  H      -1.431966     -5.760719      1.396390
  H      -5.340794     -8.142126      3.511236
  H      -4.540558     -8.103882      5.094024
  H      -3.103439     -8.669816      2.845691
  H      -2.407827     -7.747454      4.205307
  H      -2.976018     -5.170138     -0.079846
  H      -4.662242     -4.807341      0.342614
  H      -3.531001     -7.325700      0.678445
  H      -4.861019     -6.715957      1.702979
  C      -2.626592     -3.068467      1.403682
  C      -2.333729     -2.671904      0.071586
  C      -1.787265     -1.427395     -0.164547
  C      -1.549137     -0.516020      0.893186
  C      -1.800774     -0.886415      2.195237
  C      -2.278241     -2.188322      2.476471
  N      -2.567363     -2.662181      3.726720
  C      -2.054292     -2.100025      4.827446
  C      -0.755416     -1.525852      5.048593
  O      -0.408518     -0.870967      6.002249
  Cl      0.563372     -2.081701      3.856508
  C      -6.132141     -5.876814      4.628029
  C      -7.085837     -6.754670      5.186659
  C      -8.331312     -6.264214      5.552698
  C      -8.657684     -4.909698      5.353023
  C      -7.734785     -4.032203      4.799805
  C      -6.457970     -4.504045      4.443308
  N      -5.466877     -3.771884      3.815344
  C      -5.626214     -2.409869      3.741447
  C      -5.380845     -1.701989      2.546496
  O      -5.203035     -2.083534      1.406404
  Cl     -5.431434      0.137417      2.871010
  C      -1.224703     -4.974663      5.600737
  C       0.106861     -5.092119      6.063889
  C       0.416903     -4.702677      7.354716
  C      -0.579466     -4.181498      8.209175
  C      -1.889237     -4.071170      7.781897
  C      -2.239053     -4.489960      6.480303
  N      -3.495556     -4.404836      5.927081
  C      -4.595897     -4.251056      6.714268
  C      -4.820051     -5.011595      7.899789
  O      -4.183231     -5.907680      8.409890
  Cl     -6.428835     -4.493522      8.675558
  H      -2.585909     -3.318097     -0.767041
  H      -1.585873     -1.119234     -1.191852
  H      -1.198992      0.492344      0.671731
  H      -1.671200     -0.178424      3.012862
  H      -2.641139     -2.167797      5.741377
  H      -6.841190     -7.803518      5.351017
  H      -9.064706     -6.937420      5.998244
  H      -9.648698     -4.546058      5.626885
  H      -8.002772     -2.993171      4.609217
  H      -6.070795     -1.873021      4.581428
  H       0.891513     -5.442094      5.394860
  H       1.448310     -4.765111      7.703486
  H      -0.308864     -3.839698      9.208718
  H      -2.651673     -3.639806      8.429085
  H      -5.418997     -3.648480      6.346280
  N      -7.242881     -5.116222      1.192929
  N      -8.067663     -4.394489      1.311869
73
Coordinates from ORCA-job orca E -7352.690778616656
  N      -3.240466     -4.211883      1.780860
  C      -3.696283     -5.140927      0.752221
  C      -3.830308     -6.530100      1.381195
  N      -2.968701     -6.560816      2.588078
  C      -3.196917     -7.748783      3.444631
  C      -4.560627     -7.627881      4.099194
  N      -4.883961     -6.209599      4.190108
  Mo     -3.543497     -4.721493      3.761527
  N      -1.665978     -5.274754      4.349237
  C      -0.742357     -5.948779      3.442375
  C      -1.527366     -6.455747      2.233709
  H      -0.247456     -6.777258      3.975768
  H       0.049908     -5.259537      3.106486
  H      -1.164606     -7.441349      1.900140
  H      -1.431565     -5.759439      1.396664
  H      -5.340657     -8.142131      3.511937
  H      -4.539632     -8.102393      5.094417
  H      -3.102261     -8.669180      2.845838
  H      -2.407704     -7.746318      4.205422
  H      -2.976844     -5.169493     -0.080423
  H      -4.662853     -4.806996      0.342981
  H      -3.529881     -7.325015      0.678138
  H      -4.860423     -6.716573      1.702914
  C      -2.626728     -3.067927      1.403398
  C      -2.334320     -2.671199      0.071252
  C      -1.787883     -1.426717     -0.164945
  C      -1.549314     -0.515527      0.892841
  C      -1.800478     -0.886144      2.194930
  C      -2.277906     -2.188017      2.476176
  N      -2.566491     -2.662054      3.726528
  C      -2.052783     -2.100150      4.827036
  C      -0.753700     -1.526174      5.047705
  O      -0.406333     -0.871155      6.001091
  Cl      0.564403     -2.082478      3.854977
  C      -6.132002     -5.875968      4.627334
  C      -7.085883     -6.753736      5.185932
  C      -8.331291     -6.263101      5.551881
  C      -8.657414     -4.908500      5.352250
  C      -7.734342     -4.031099      4.799347
  C      -6.457446     -4.503102      4.443034
  N      -5.466403     -3.770999      3.815142
  C      -5.625249     -2.408939      3.741948
  C      -5.380245     -1.700828      2.546988
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  C      -1.224980     -4.974884      5.601139
  C       0.106447     -5.092746      6.064532
  C       0.416300     -4.704131      7.355661
  C      -0.580184     -4.183260      8.210180
  C      -1.889837     -4.072315      7.782563
  C      -2.239463     -4.490333      6.480669
  N      -3.495786     -4.404354      5.927272
  C      -4.596234     -4.250435      6.714246
  C      -4.821313     -5.011631      7.899149
  O      -4.185252     -5.908551      8.408799
  Cl     -6.430014     -4.492964      8.674628
  H      -2.586792     -3.317325     -0.767329
  H      -1.586831     -1.118465     -1.192283
  H      -1.199272      0.492848      0.671442
  H      -1.670524     -0.178313      3.012634
  H      -2.638944     -2.168405      5.741319
  H      -6.841331     -7.802736      5.350138
  H      -9.064853     -6.936263      5.997309
  H      -9.648487     -4.544834      5.625827
  H      -8.002129     -2.992111      4.608726
  H      -6.069190     -1.872221      4.582267
  H       0.891211     -5.442454      5.395499
  H       1.447626     -4.766907      7.704673
  H      -0.309727     -3.842154      9.210001
  H      -2.652242     -3.641060      8.429871
  H      -5.418749     -3.646835      6.346520
  N      -7.245489     -5.125900      1.193382
  N      -8.074239     -4.409734      1.318058
73
Coordinates from ORCA-job orca E -7352.690779732558
  N      -3.240489     -4.211545      1.780510
  C      -3.696558     -5.140722      0.752201
  C      -3.829979     -6.529960      1.381136
  N      -2.968306     -6.560421      2.587993
  C      -3.196425     -7.748277      3.444626
  C      -4.560173     -7.627444      4.099202
  N      -4.883664     -6.209104      4.189502
  Mo     -3.543084     -4.721141      3.761308
  N      -1.665903     -5.274458      4.349478
  C      -0.742138     -5.948543      3.442687
  C      -1.527008     -6.455039      2.233722
  H      -0.247534     -6.777235      3.975985
  H       0.050197     -5.259243      3.107169
  H      -1.164053     -7.440412      1.899687
  H      -1.431202     -5.758170      1.397130
  H      -5.340327     -8.142146      3.512555
  H      -4.538616     -8.101078      5.094864
  H      -3.101332     -8.668745      2.846122
  H      -2.407464     -7.745554      4.205692
  H      -2.977683     -5.169159     -0.080957
  H      -4.663362     -4.806948      0.343259
  H      -3.529147     -7.324788      0.678145
  H      -4.859942     -6.716998      1.703203
  C      -2.626855     -3.067609      1.402919
  C      -2.334977     -2.670793      0.070678
  C      -1.788775     -1.426253     -0.165655
  C      -1.549886     -0.515144      0.892128
  C      -1.800391     -0.885886      2.194303
  C      -2.277605     -2.187788      2.475651
  N      -2.565741     -2.661916      3.726056
  C      -2.051542     -2.100129      4.826389
  C      -0.752251     -1.526423      5.046447
  O      -0.404281     -0.870957      5.999297
  Cl      0.565184     -2.083718      3.853250
  C      -6.131758     -5.875527      4.626646
  C      -7.085695     -6.753340      5.185225
  C      -8.331114     -6.262795      5.551044
  C      -8.657294     -4.908150      5.351361
  C      -7.734189     -4.030644      4.798753
  C      -6.457191     -4.502664      4.442651
  N      -5.466006     -3.770472      3.814973
  C      -5.624599     -2.408346      3.742758
  C      -5.379427     -1.699468      2.548264
  O      -5.202869     -2.080250      1.407780
  Cl     -5.427816      0.139885      2.874448
  C      -1.225231     -4.975028      5.601599
  C       0.106019     -5.093434      6.065395
  C       0.415614     -4.705494      7.356796
  C      -0.581003     -4.184598      8.211165
  C      -1.890486     -4.073058      7.783139
  C      -2.239863     -4.490511      6.480981
  N      -3.496011     -4.403904      5.927346
  C      -4.596597     -4.249904      6.714036
  C      -4.822430     -5.011366      7.898642
  O      -4.187013     -5.908934      8.407958
  Cl     -6.430881     -4.491964      8.673937
  H      -2.587645     -3.316988     -0.767784
  H      -1.588154     -1.117912     -1.193048
  H      -1.200176      0.493315      0.670649
  H      -1.670098     -0.178179      3.012068
  H      -2.637154     -2.168537      5.740947
  H      -6.840951     -7.802226      5.349426
  H      -9.064609     -6.935946      5.996546
  H      -9.648467     -4.544529      5.624753
  H      -8.001953     -2.991526      4.608322
  H      -6.068238     -1.871898      4.583500
  H       0.890883     -5.443272      5.396536
  H       1.446789     -4.768869      7.706178
  H      -0.310747     -3.843984      9.211206
  H      -2.652976     -3.641781      8.430364
  H      -5.418561     -3.645387      6.346491
  N      -7.247655     -5.131833      1.193439
  N      -8.078717     -4.419135      1.322478
