72
Coordinates from ORCA-job orca E -7297.570192870397
  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
  Mo     -3.595202     -4.570232      3.642811
  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
  H      -0.094407     -5.434414      3.076987
  H      -1.427249     -7.377057      1.678720
  H      -1.577574     -5.661649      1.293727
  H      -4.771792     -8.105491      4.856570
  H      -3.265696     -7.289772      5.311740
  H      -4.208491     -8.291244      2.606606
  H      -2.573189     -8.318592      3.282136
  H      -3.094947     -4.962130     -0.134012
  H      -4.733514     -4.471227      0.325605
  H      -3.813416     -7.090374      0.519731
  H      -5.088489     -6.437036      1.586035
  C      -2.684486     -2.951328      1.427320
  C      -2.383500     -2.492724      0.129391
  C      -1.766638     -1.277312     -0.038991
  C      -1.465885     -0.462349      1.058583
  C      -1.749645     -0.882868      2.334449
  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
  O      -0.379068     -1.064248      5.960904
  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
  C      -6.420284     -4.567983      4.397857
  N      -5.522678     -3.818240      3.666224
  C      -5.802201     -2.512325      3.541144
  C      -5.398691     -1.741090      2.431255
  O      -5.007640     -2.090636      1.348001
  Cl     -5.633406      0.024200      2.736555
  C      -1.441755     -5.112685      5.469058
  C      -0.170902     -5.439020      5.985639
  C       0.128735     -5.152284      7.292352
  C      -0.802601     -4.508061      8.120244
  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
  H      -6.367494     -7.617258      5.949393
  H      -8.644805     -6.936482      6.476619
  H      -9.556260     -4.807456      5.637750
  H      -8.161533     -3.296931      4.305485
  H      -6.442411     -2.024602      4.268364
  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
72
Coordinates from ORCA-job orca E -7297.615445093161
  N      -3.273928     -4.096262      1.732714
  C      -3.767519     -4.923340      0.634761
  C      -4.028724     -6.322748      1.227916
  N      -3.165551     -6.470333      2.420723
  C      -3.465130     -7.728229      3.166784
  C      -4.045789     -7.365684      4.545133
  N      -4.673792     -6.067939      4.379973
  Mo     -3.600112     -4.575633      3.621623
  N      -1.849396     -5.292873      4.189331
  C      -0.961281     -6.059990      3.322556
  C      -1.731185     -6.428558      2.056118
  H      -0.632914     -6.962498      3.858815
  H      -0.074658     -5.461199      3.071533
  H      -1.405621     -7.402107      1.666598
  H      -1.553142     -5.682764      1.278134
  H      -4.765396     -8.123535      4.867652
  H      -3.255242     -7.298551      5.307787
  H      -4.199485     -8.314372      2.603607
  H      -2.559269     -8.330433      3.282719
  H      -3.035585     -4.966781     -0.192688
  H      -4.689899     -4.476751      0.241527
  H      -3.790323     -7.102956      0.483776
  H      -5.121513     -6.445118      1.555396
  C      -2.645813     -2.940403      1.387992
  C      -2.325292     -2.488712      0.087272
  C      -1.705286     -1.270308     -0.078243
  C      -1.420562     -0.444721      1.025703
  C      -1.723133     -0.860168      2.302328
  C      -2.293203     -2.134119      2.508411
  N      -2.701494     -2.630556      3.719421
  C      -2.195873     -2.079766      4.846256
  C      -0.844864     -1.708794      5.104367
  O      -0.412661     -1.060506      6.032144
  Cl      0.375203     -2.508871      4.015089
  C      -5.936286     -5.840471      4.836064
  C      -6.739875     -6.687259      5.619097
  C      -8.028546     -6.301015      5.944303
  C      -8.548786     -5.086106      5.486386
  C      -7.765035     -4.224875      4.734240
  C      -6.443511     -4.575940      4.428398
  N      -5.551380     -3.810563      3.673780
  C      -5.857129     -2.492023      3.559378
  C      -5.528806     -1.685280      2.444639
  O      -5.192875     -1.998481      1.322277
  Cl     -5.795185      0.075756      2.812434
  C      -1.434679     -5.127377      5.479770
  C      -0.165213     -5.461605      5.996734
  C       0.140328     -5.174070      7.311816
  C      -0.789205     -4.523291      8.137885
  C      -2.043924     -4.205504      7.663497
  C      -2.408787     -4.545140      6.344726
  N      -3.615898     -4.247788      5.744755
  C      -4.692259     -3.895354      6.474274
  C      -5.054103     -4.476844      7.726478
  O      -4.637964     -5.447975      8.310854
  Cl     -6.500985     -3.598751      8.417356
  H      -2.588350     -3.069774     -0.787484
  H      -1.464397     -0.923028     -1.077780
  H      -0.981403      0.534946      0.868671
  H      -1.555741     -0.205346      3.151147
  H      -2.863607     -1.942612      5.697794
  H      -6.359043     -7.633165      5.986242
  H      -8.646055     -6.953364      6.552986
  H      -9.572948     -4.815929      5.720938
  H      -8.185342     -3.299161      4.356501
  H      -6.481331     -2.027062      4.320469
  H       0.590994     -5.901652      5.358145
  H       1.122536     -5.418187      7.703349
  H      -0.508992     -4.248028      9.149121
  H      -2.741868     -3.655116      8.282270
  H      -5.382484     -3.175689      6.056317
  N      -5.061222     -5.378253      2.260208
72
Coordinates from ORCA-job orca E -7297.643711667291
  N      -3.260239     -4.079187      1.685118
  C      -3.741613     -4.919643      0.582663
  C      -4.015985     -6.315534      1.200989
  N      -3.157515     -6.478358      2.404599
  C      -3.461718     -7.737523      3.166159
  C      -4.046682     -7.382479      4.552233
  N      -4.696328     -6.092228      4.398971
  Mo     -3.613982     -4.583901      3.604143
  N      -1.843490     -5.308909      4.188742
  C      -0.952903     -6.078213      3.319592
  C      -1.716750     -6.440218      2.047621
  H      -0.626628     -6.985330      3.855063
  H      -0.060938     -5.481625      3.072036
  H      -1.391960     -7.416395      1.657209
  H      -1.539523     -5.692921      1.269676
  H      -4.758234     -8.149669      4.878833
  H      -3.247424     -7.312047      5.306773
  H      -4.192528     -8.329604      2.600770
  H      -2.547941     -8.332315      3.281979
  H      -2.994973     -4.966668     -0.239329
  H      -4.663570     -4.488005      0.171591
  H      -3.777677     -7.106142      0.460304
  H      -5.157110     -6.445444      1.535316
  C      -2.630875     -2.917962      1.353061
  C      -2.301254     -2.462685      0.052243
  C      -1.686016     -1.236923     -0.104767
  C      -1.415326     -0.407665      1.008346
  C      -1.728018     -0.827677      2.283459
  C      -2.294614     -2.108238      2.480945
  N      -2.704475     -2.614591      3.691797
  C      -2.199283     -2.071121      4.830211
  C      -0.850468     -1.684163      5.105603
  O      -0.451336     -1.044903      6.057804
  Cl      0.411828     -2.433960      4.003323
  C      -5.960186     -5.856196      4.863712
  C      -6.754047     -6.701170      5.657963
  C      -8.046688     -6.313563      5.997564
  C      -8.569830     -5.098250      5.539266
  C      -7.788622     -4.235388      4.770647
  C      -6.472689     -4.588489      4.453496
  N      -5.579678     -3.813799      3.682238
  C      -5.863174     -2.483478      3.563022
  C      -5.506327     -1.700444      2.436661
  O      -5.153346     -2.037739      1.318811
  Cl     -5.721366      0.083149      2.791837
  C      -1.434702     -5.141716      5.494569
  C      -0.168080     -5.481094      6.010315
  C       0.141782     -5.194683      7.334087
  C      -0.787100     -4.543092      8.158504
  C      -2.047588     -4.220174      7.676721
  C      -2.408262     -4.556165      6.359106
  N      -3.630147     -4.247024      5.752290
  C      -4.706904     -3.884678      6.479128
  C      -5.079852     -4.464649      7.737734
  O      -4.661958     -5.439681      8.322578
  Cl     -6.523887     -3.564335      8.428312
  H      -2.555594     -3.048500     -0.827042
  H      -1.438454     -0.885441     -1.106004
  H      -0.979839      0.578976      0.856447
  H      -1.571198     -0.172419      3.138236
  H      -2.870597     -1.955631      5.680842
  H      -6.364067     -7.648278      6.025420
  H      -8.658955     -6.966177      6.618495
  H      -9.594720     -4.823416      5.784952
  H      -8.211370     -3.306215      4.392621
  H      -6.474887     -1.999448      4.326589
  H       0.588047     -5.924361      5.366358
  H       1.127439     -5.443564      7.725817
  H      -0.509192     -4.268188      9.174985
  H      -2.748555     -3.667426      8.297347
  H      -5.390436     -3.158571      6.056040
  N      -5.117211     -5.363390      2.238515
72
Coordinates from ORCA-job orca E -7297.662395758928
  N      -3.233292     -4.062888      1.637974
  C      -3.698788     -4.917158      0.540786
  C      -3.996327     -6.297115      1.178447
  N      -3.149794     -6.477040      2.387204
  C      -3.462169     -7.734145      3.160301
  C      -4.045380     -7.391115      4.553046
  N      -4.711129     -6.111460      4.414842
  Mo     -3.625822     -4.589630      3.579389
  N      -1.839984     -5.320648      4.187016
  C      -0.947171     -6.090647      3.321215
  C      -1.704002     -6.444446      2.042691
  H      -0.625399     -7.001674      3.855448
  H      -0.049061     -5.498645      3.079345
  H      -1.382604     -7.422401      1.651372
  H      -1.525549     -5.695151      1.266627
  H      -4.747874     -8.168040      4.881367
  H      -3.236734     -7.320896      5.298019
  H      -4.189405     -8.327457      2.590258
  H      -2.543456     -8.322988      3.274274
  H      -2.937656     -4.975907     -0.267494
  H      -4.616363     -4.497077      0.108869
  H      -3.766845     -7.100277      0.446919
  H      -5.178107     -6.427551      1.515863
  C      -2.598680     -2.904971      1.320878
  C      -2.248895     -2.450923      0.022948
  C      -1.635997     -1.222379     -0.123932
  C      -1.386607     -0.388411      0.994934
  C      -1.718348     -0.807581      2.265545
  C      -2.284365     -2.090809      2.453986
  N      -2.701156     -2.601819      3.658891
  C      -2.200745     -2.070097      4.806431
  C      -0.855796     -1.682074      5.099681
  O      -0.478762     -1.062008      6.072998
  Cl      0.432195     -2.410834      3.994246
  C      -5.967217     -5.868084      4.889732
  C      -6.748268     -6.710299      5.697636
  C      -8.039052     -6.321243      6.056833
  C      -8.566212     -5.106360      5.602963
  C      -7.793921     -4.244508      4.816764
  C      -6.486712     -4.600273      4.481963
  N      -5.607501     -3.818479      3.693112
  C      -5.890323     -2.485434      3.582552
  C      -5.574024     -1.705135      2.441787
  O      -5.273483     -2.036703      1.307197
  Cl     -5.773090      0.086297      2.817722
  C      -1.444296     -5.153146      5.501726
  C      -0.183119     -5.497547      6.019614
  C       0.125785     -5.212090      7.349166
  C      -0.802788     -4.559770      8.169219
  C      -2.064126     -4.231966      7.678796
  C      -2.416597     -4.564530      6.363023
  N      -3.643446     -4.242166      5.750410
  C      -4.716039     -3.869129      6.467932
  C      -5.104954     -4.445681      7.730198
  O      -4.693061     -5.420650      8.316249
  Cl     -6.544833     -3.522694      8.410026
  H      -2.489155     -3.041765     -0.858720
  H      -1.374638     -0.870488     -1.123161
  H      -0.953321      0.601347      0.847922
  H      -1.576904     -0.151418      3.123521
  H      -2.876184     -1.971680      5.654689
  H      -6.349017     -7.656502      6.062068
  H      -8.641344     -6.972378      6.691111
  H      -9.587190     -4.826457      5.864933
  H      -8.219303     -3.313125      4.442638
  H      -6.474146     -2.003272      4.370176
  H       0.573076     -5.943012      5.374888
  H       1.111445     -5.465188      7.741982
  H      -0.530636     -4.285375      9.188762
  H      -2.766512     -3.677437      8.298515
  H      -5.390350     -3.137768      6.036990
  N      -5.166262     -5.336582      2.209944
72
Coordinates from ORCA-job orca E -7297.675861387345
  N      -3.211098     -4.047226      1.598920
  C      -3.661400     -4.915833      0.512623
  C      -3.981301     -6.274784      1.166294
  N      -3.145770     -6.472291      2.374873
  C      -3.466047     -7.727149      3.156457
  C      -4.041608     -7.398533      4.556519
  N      -4.719389     -6.129371      4.434139
  Mo     -3.639216     -4.596649      3.555578
  N      -1.840967     -5.331003      4.186850
  C      -0.946377     -6.100878      3.326433
  C      -1.695938     -6.445842      2.042404
  H      -0.629769     -7.015999      3.858433
  H      -0.041819     -5.514908      3.090143
  H      -1.379814     -7.425113      1.649030
  H      -1.514479     -5.693949      1.269806
  H      -4.734003     -8.186453      4.883620
  H      -3.223746     -7.331559      5.292344
  H      -4.191368     -8.318357      2.581157
  H      -2.544383     -8.313007      3.265430
  H      -2.889790     -4.989631     -0.283265
  H      -4.575663     -4.505881      0.062991
  H      -3.771831     -7.092986      0.445012
  H      -5.196462     -6.399942      1.510728
  C      -2.578248     -2.892689      1.293965
  C      -2.215756     -2.436332     -0.001339
  C      -1.612361     -1.202745     -0.139616
  C      -1.383963     -0.365069      0.982860
  C      -1.727639     -0.785865      2.249140
  C      -2.286242     -2.074045      2.430405
  N      -2.703536     -2.591955      3.629251
  C      -2.208247     -2.070015      4.782814
  C      -0.868953     -1.672564      5.088279
  O      -0.507123     -1.069449      6.076777
  Cl      0.440334     -2.365462      3.969956
  C      -5.966513     -5.880005      4.914591
  C      -6.739980     -6.718939      5.735021
  C      -8.027872     -6.329400      6.106317
  C      -8.559842     -5.116038      5.653340
  C      -7.797352     -4.256826      4.852962
  C      -6.494854     -4.613628      4.505050
  N      -5.629349     -3.828400      3.704860
  C      -5.896785     -2.493295      3.595482
  C      -5.574347     -1.725101      2.446930
  O      -5.271715     -2.058857      1.316549
  Cl     -5.727982      0.078689      2.831735
  C      -1.458520     -5.165882      5.504684
  C      -0.201349     -5.516356      6.026252
  C       0.105427     -5.232813      7.358818
  C      -0.822021     -4.579270      8.176483
  C      -2.081827     -4.246164      7.680049
  C      -2.428356     -4.574648      6.364306
  N      -3.654606     -4.238845      5.748268
  C      -4.722974     -3.856748      6.454506
  C      -5.129555     -4.428128      7.721176
  O      -4.726711     -5.399865      8.312191
  Cl     -6.565306     -3.484178      8.383353
  H      -2.442026     -3.032007     -0.884438
  H      -1.343024     -0.848037     -1.136511
  H      -0.958893      0.629341      0.839343
  H      -1.601847     -0.128978      3.109490
  H      -2.884802     -1.992932      5.631661
  H      -6.333489     -7.662761      6.099647
  H      -8.621426     -6.978211      6.752062
  H      -9.577277     -4.832527      5.927568
  H      -8.225887     -3.325459      4.480774
  H      -6.459819     -2.000879      4.392770
  H       0.555110     -5.963357      5.382157
  H       1.090647     -5.490254      7.751695
  H      -0.554670     -4.305911      9.198102
  H      -2.783030     -3.689913      8.300098
  H      -5.388923     -3.122139      6.015409
  N      -5.212073     -5.304695      2.189497
72
Coordinates from ORCA-job orca E -7297.686033963528
  N      -3.187596     -4.033243      1.567055
  C      -3.625885     -4.914828      0.493949
  C      -3.969689     -6.250386      1.160232
  N      -3.144062     -6.464622      2.365212
  C      -3.472191     -7.717918      3.150942
  C      -4.034538     -7.403497      4.558480
  N      -4.720192     -6.143015      4.452328
  Mo     -3.652414     -4.602294      3.530935
  N      -1.845222     -5.337789      4.186910
  C      -0.948923     -6.107826      3.333236
  C      -1.690872     -6.444616      2.044229
  H      -0.638219     -7.026744      3.862875
  H      -0.037909     -5.528934      3.102393
  H      -1.381225     -7.424637      1.647952
  H      -1.504686     -5.689666      1.276231
  H      -4.717245     -8.202180      4.882139
  H      -3.208135     -7.342753      5.285809
  H      -4.198093     -8.303442      2.570576
  H      -2.550129     -8.304742      3.251749
  H      -2.847778     -5.008503     -0.290579
  H      -4.535595     -4.509371      0.028904
  H      -3.792477     -7.084933      0.449847
  H      -5.209308     -6.361573      1.516354
  C      -2.555071     -2.883476      1.272272
  C      -2.178380     -2.425089     -0.019531
  C      -1.584056     -1.187246     -0.149260
  C      -1.377081     -0.346491      0.975572
  C      -1.733272     -0.768675      2.237072
  C      -2.284877     -2.061000      2.411325
  N      -2.704600     -2.584541      3.603323
  C      -2.214552     -2.070323      4.759845
  C      -0.880235     -1.665592      5.071954
  O      -0.522551     -1.079474      6.070690
  Cl      0.438510     -2.334652      3.940465
  C      -5.958094     -5.890726      4.935968
  C      -6.727305     -6.727275      5.767236
  C      -8.011465     -6.339026      6.145992
  C      -8.549530     -5.127132      5.693082
  C      -7.797380     -4.271282      4.882225
  C      -6.496478     -4.627288      4.523573
  N      -5.647441     -3.840509      3.714791
  C      -5.902242     -2.504901      3.606463
  C      -5.589982     -1.746093      2.447474
  O      -5.313015     -2.077030      1.313626
  Cl     -5.718034      0.066299      2.841871
  C      -1.475449     -5.177086      5.503750
  C      -0.221445     -5.534444      6.031928
  C       0.080741     -5.253523      7.365464
  C      -0.846525     -4.598205      8.181487
  C      -2.102291     -4.259584      7.679716
  C      -2.443013     -4.583283      6.361889
  N      -3.662552     -4.233545      5.744194
  C      -4.725403     -3.842372      6.442152
  C      -5.142570     -4.405822      7.715569
  O      -4.745900     -5.371755      8.313845
  Cl     -6.570964     -3.443491      8.363602
  H      -2.389907     -3.024864     -0.903603
  H      -1.306118     -0.829792     -1.142741
  H      -0.960264      0.651645      0.835333
  H      -1.623689     -0.111324      3.099127
  H      -2.889630     -2.011863      5.610798
  H      -6.314494     -7.667759      6.133108
  H      -8.596978     -6.985678      6.800942
  H      -9.563612     -4.841859      5.977104
  H      -8.229240     -3.341111      4.511445
  H      -6.440370     -2.003266      4.415028
  H       0.536158     -5.982659      5.390661
  H       1.064449     -5.515206      7.759102
  H      -0.584164     -4.326506      9.204557
  H      -2.801892     -3.701925      8.299830
  H      -5.385596     -3.105716      5.998752
  N      -5.247558     -5.266922      2.174438
72
Coordinates from ORCA-job orca E -7297.693926147849
  N      -3.167789     -4.022815      1.543340
  C      -3.597821     -4.915673      0.481575
  C      -3.963834     -6.229425      1.159529
  N      -3.144145     -6.458138      2.358811
  C      -3.479914     -7.711111      3.144866
  C      -4.025245     -7.408244      4.559756
  N      -4.715225     -6.152889      4.470325
  Mo     -3.665538     -4.607557      3.508701
  N      -1.851362     -5.341331      4.187208
  C      -0.953627     -6.112680      3.339980
  C      -1.688082     -6.443449      2.046969
  H      -0.648310     -7.034617      3.867928
  H      -0.036946     -5.540684      3.113502
  H      -1.384757     -7.423671      1.647120
  H      -1.496810     -5.685163      1.284030
  H      -4.700265     -8.216112      4.878679
  H      -3.191482     -7.356132      5.279757
  H      -4.209945     -8.287703      2.560874
  H      -2.560148     -8.303592      3.234424
  H      -2.817124     -5.031056     -0.295073
  H      -4.502557     -4.510221      0.004317
  H      -3.830717     -7.080090      0.459558
  H      -5.218948     -6.318899      1.536018
  C      -2.536310     -2.876021      1.255688
  C      -2.148795     -2.415756     -0.033090
  C      -1.565687     -1.172720     -0.156645
  C      -1.379011     -0.328373      0.969025
  C      -1.743992     -0.752243      2.226854
  C      -2.285523     -2.049609      2.396581
  N      -2.705586     -2.579179      3.583919
  C      -2.220752     -2.070921      4.742132
  C      -0.890134     -1.659258      5.060194
  O      -0.533710     -1.086738      6.065914
  Cl      0.436174     -2.311683      3.921389
  C      -5.947880     -5.900908      4.954715
  C      -6.715892     -6.736926      5.792448
  C      -7.997713     -6.352007      6.173520
  C      -8.542246     -5.141385      5.720342
  C      -7.798126     -4.288178      4.903802
  C      -6.496194     -4.641673      4.539110
  N      -5.661323     -3.854547      3.725200
  C      -5.902294     -2.517901      3.613830
  C      -5.588519     -1.767599      2.448432
  O      -5.314783     -2.095048      1.315748
  Cl     -5.679709      0.052109      2.854699
  C      -1.490591     -5.185687      5.501365
  C      -0.238301     -5.550468      6.035444
  C       0.061457     -5.271184      7.367768
  C      -0.864242     -4.611649      8.183316
  C      -2.115744     -4.267397      7.678829
  C      -2.455332     -4.588136      6.358797
  N      -3.666315     -4.225538      5.740675
  C      -4.727175     -3.825228      6.431525
  C      -5.157859     -4.381440      7.708126
  O      -4.771986     -5.344918      8.314482
  Cl     -6.581342     -3.403720      8.338863
  H      -2.346246     -3.020035     -0.917366
  H      -1.282072     -0.812305     -1.147253
  H      -0.972769      0.674034      0.830479
  H      -1.650154     -0.093567      3.089540
  H      -2.893484     -2.030072      5.595656
  H      -6.297395     -7.674089      6.159991
  H      -8.577442     -6.997802      6.834161
  H      -9.554396     -4.856500      6.010558
  H      -8.232257     -3.359142      4.533346
  H      -6.419730     -2.004551      4.428190
  H       0.519569     -6.000873      5.396666
  H       1.044022     -5.536755      7.761262
  H      -0.603806     -4.340258      9.206638
  H      -2.811514     -3.706463      8.299219
  H      -5.382190     -3.086589      5.984730
  N      -5.271897     -5.228807      2.170253
72
Coordinates from ORCA-job orca E -7297.700374263675
  N      -3.150189     -4.016269      1.527117
  C      -3.574922     -4.917085      0.472282
  C      -3.961907     -6.212589      1.159866
  N      -3.145481     -6.453758      2.353413
  C      -3.489528     -7.707305      3.136158
  C      -4.015801     -7.412539      4.557904
  N      -4.706377     -6.158291      4.485755
  Mo     -3.678375     -4.611552      3.489137
  N      -1.859168     -5.342192      4.187560
  C      -0.960252     -6.116481      3.346394
  C      -1.686831     -6.442920      2.049511
  H      -0.660373     -7.040740      3.873660
  H      -0.038562     -5.550839      3.124163
  H      -1.388721     -7.422791      1.645899
  H      -1.490110     -5.681101      1.291917
  H      -4.686274     -8.226728      4.871946
  H      -3.175965     -7.370780      5.271696
  H      -4.227377     -8.271956      2.550524
  H      -2.574867     -8.309826      3.212262
  H      -2.793697     -5.053432     -0.298598
  H      -4.473414     -4.507232     -0.015239
  H      -3.881122     -7.076615      0.469431
  H      -5.224398     -6.273639      1.564000
  C      -2.518169     -2.871295      1.244855
  C      -2.120425     -2.410558     -0.040773
  C      -1.547027     -1.162824     -0.159779
  C      -1.378303     -0.314984      0.965817
  C      -1.751157     -0.739998      2.220716
  C      -2.283823     -2.041319      2.386977
  N      -2.704972     -2.574888      3.571139
  C      -2.224876     -2.068346      4.728516
  C      -0.896953     -1.646438      5.046786
  O      -0.538982     -1.080233      6.054303
  Cl      0.431534     -2.281722      3.897714
  C      -5.938314     -5.910617      4.969423
  C      -6.706186     -6.749736      5.807469
  C      -7.987490     -6.370515      6.188212
  C      -8.538374     -5.160399      5.736907
  C      -7.799777     -4.307020      4.919676
  C      -6.495374     -4.655939      4.552699
  N      -5.671730     -3.868571      3.735252
  C      -5.900746     -2.530336      3.618510
  C      -5.590344     -1.787322      2.446978
  O      -5.330378     -2.110506      1.311428
  Cl     -5.666247      0.038008      2.860051
  C      -1.504125     -5.192314      5.499853
  C      -0.254029     -5.565977      6.039542
  C       0.043828     -5.289481      7.370713
  C      -0.880109     -4.625318      8.186219
  C      -2.126793     -4.273919      7.679346
  C      -2.465816     -4.590129      6.356488
  N      -3.666516     -4.214160      5.737996
  C      -4.725059     -3.803967      6.425445
  C      -5.161068     -4.349738      7.706242
  O      -4.779712     -5.308280      8.322987
  Cl     -6.575657     -3.356627      8.329012
  H      -2.304682     -3.019315     -0.924771
  H      -1.258192     -0.800228     -1.147860
  H      -0.981584      0.691050      0.828224
  H      -1.671526     -0.079767      3.083551
  H      -2.893158     -2.042491      5.585819
  H      -6.282157     -7.684333      6.174858
  H      -8.563368     -7.017920      6.850377
  H      -9.549938     -4.878419      6.030864
  H      -8.235090     -3.378395      4.550006
  H      -6.398709     -2.005535      4.437248
  H       0.503551     -6.019288      5.403029
  H       1.024670     -5.559951      7.764709
  H      -0.620715     -4.355644      9.209975
  H      -2.819526     -3.709789      8.299755
  H      -5.376630     -3.063385      5.977753
  N      -5.283853     -5.191414      2.174248
72
Coordinates from ORCA-job orca E -7297.705843287697
  N      -3.135808     -4.012924      1.516404
  C      -3.557430     -4.918557      0.464259
  C      -3.962546     -6.200433      1.158799
  N      -3.147629     -6.451606      2.347857
  C      -3.500190     -7.705672      3.125818
  C      -4.005087     -7.415076      4.554691
  N      -4.693074     -6.158542      4.500620
  Mo     -3.690450     -4.613768      3.472280
  N      -1.867222     -5.340043      4.186914
  C      -0.967445     -6.118782      3.351370
  C      -1.686577     -6.442833      2.050965
  H      -0.672694     -7.044464      3.879237
  H      -0.041558     -5.558596      3.132870
  H      -1.391895     -7.422046      1.644177
  H      -1.484836     -5.677759      1.298306
  H      -4.673747     -8.232140      4.866351
  H      -3.158928     -7.384247      5.261561
  H      -4.249626     -8.256458      2.541894
  H      -2.592963     -8.321455      3.186590
  H      -2.776570     -5.072618     -0.302413
  H      -4.449053     -4.501927     -0.031783
  H      -3.937507     -7.073436      0.476944
  H      -5.225869     -6.228719      1.595844
  C      -2.503011     -2.868604      1.237610
  C      -2.097892     -2.408920     -0.045802
  C      -1.534388     -1.156478     -0.163442
  C      -1.381436     -0.304053      0.960564
  C      -1.758993     -0.729362      2.213957
  C      -2.281208     -2.034764      2.379942
  N      -2.701982     -2.570296      3.563644
  C      -2.226243     -2.063423      4.719461
  C      -0.898994     -1.636445      5.041008
  O      -0.542872     -1.074284      6.050391
  Cl      0.435006     -2.279915      3.902090
  C      -5.926993     -5.918067      4.984817
  C      -6.692923     -6.762561      5.820535
  C      -7.974385     -6.389491      6.202611
  C      -8.531590     -5.179304      5.755807
  C      -7.798042     -4.323743      4.938933
  C      -6.491904     -4.667778      4.569461
  N      -5.677562     -3.880717      3.747345
  C      -5.896545     -2.540239      3.622629
  C      -5.589865     -1.804137      2.446200
  O      -5.333398     -2.123790      1.309293
  Cl     -5.642159      0.025781      2.866210
  C      -1.515073     -5.195051      5.498719
  C      -0.266941     -5.577293      6.041581
  C       0.031452     -5.302830      7.371418
  C      -0.889350     -4.632817      8.187290
  C      -2.132315     -4.274557      7.679903
  C      -2.473940     -4.587908      6.355361
  N      -3.665563     -4.199918      5.735824
  C      -4.726651     -3.782745      6.416254
  C      -5.179244     -4.323798      7.692696
  O      -4.813648     -5.285141      8.315657
  Cl     -6.598668     -3.325798      8.294494
  H      -2.270570     -3.022719     -0.928612
  H      -1.242571     -0.792876     -1.150148
  H      -0.994974      0.705647      0.822111
  H      -1.692248     -0.066241      3.075598
  H      -2.891519     -2.047233      5.579055
  H      -6.263170     -7.695412      6.185601
  H      -8.546680     -7.039807      6.864909
  H      -9.542725     -4.901392      6.054285
  H      -8.233976     -3.394577      4.571363
  H      -6.376020     -2.004059      4.444577
  H       0.489196     -6.034101      5.406134
  H       1.010955     -5.577818      7.765321
  H      -0.628434     -4.363778      9.210669
  H      -2.820817     -3.705769      8.300048
  H      -5.372891     -3.040691      5.963737
  N      -5.285324     -5.155580      2.184598
72
Coordinates from ORCA-job orca E -7297.710441852143
  N      -3.123973     -4.012855      1.512550
  C      -3.543127     -4.919915      0.458809
  C      -3.965003     -6.193415      1.155356
  N      -3.152276     -6.452261      2.342748
  C      -3.514222     -7.706344      3.114492
  C      -3.997800     -7.417095      4.550059
  N      -4.680232     -6.155524      4.513518
  Mo     -3.703983     -4.614352      3.459751
  N      -1.877589     -5.336851      4.186802
  C      -0.977371     -6.121315      3.356923
  C      -1.689033     -6.443911      2.053286
  H      -0.688243     -7.047854      3.886538
  H      -0.047682     -5.566029      3.142352
  H      -1.395534     -7.422323      1.644352
  H      -1.482433     -5.675986      1.305091
  H      -4.667783     -8.233624      4.860862
  H      -3.145946     -7.397785      5.250354
  H      -4.278133     -8.241389      2.534870
  H      -2.616688     -8.337964      3.159254
  H      -2.760885     -5.087362     -0.302997
  H      -4.426395     -4.494720     -0.046066
  H      -3.993136     -7.070268      0.480570
  H      -5.224606     -6.186991      1.625637
  C      -2.488513     -2.869125      1.236688
  C      -2.074524     -2.412277     -0.044427
  C      -1.516394     -1.157034     -0.161849
  C      -1.375440     -0.300338      0.960110
  C      -1.759144     -0.724303      2.212314
  C      -2.276536     -2.031339      2.378532
  N      -2.699387     -2.564912      3.562779
  C      -2.226357     -2.053598      4.714104
  C      -0.899953     -1.612108      5.028266
  O      -0.543587     -1.040027      6.031203
  Cl      0.430913     -2.232976      3.874974
  C      -5.920234     -5.927201      4.993499
  C      -6.686100     -6.782136      5.818263
  C      -7.971094     -6.418481      6.195926
  C      -8.534036     -5.207950      5.754536
  C      -7.802305     -4.345355      4.944894
  C      -6.492104     -4.681030      4.580347
  N      -5.682680     -3.892122      3.757455
  C      -5.897677     -2.549186      3.622455
  C      -5.600883     -1.818636      2.441574
  O      -5.353802     -2.134159      1.301035
  Cl     -5.656586      0.015544      2.861897
  C      -1.525533     -5.197521      5.499256
  C      -0.280418     -5.590395      6.043477
  C       0.019059     -5.321026      7.373484
  C      -0.898305     -4.646914      8.191066
  C      -2.137523     -4.279241      7.683571
  C      -2.480253     -4.585145      6.356619
  N      -3.662934     -4.182700      5.737739
  C      -4.719634     -3.756898      6.419894
  C      -5.166034     -4.284877      7.702120
  O      -4.795065     -5.237206      8.336956
  Cl     -6.567488     -3.267510      8.314511
  H      -2.236731     -3.030741     -0.925966
  H      -1.219983     -0.794363     -1.147525
  H      -0.995106      0.711487      0.820622
  H      -1.702446     -0.058193      3.072491
  H      -2.884759     -2.047060      5.579042
  H      -6.251502     -7.713950      6.180149
  H      -8.542801     -7.075110      6.852494
  H      -9.547233     -4.937513      6.052515
  H      -8.238449     -3.415257      4.579729
  H      -6.362959     -2.004416      4.446495
  H       0.473428     -6.050796      5.408004
  H       0.996601     -5.602637      7.767495
  H      -0.635762     -4.382304      9.215176
  H      -2.823969     -3.708047      8.304258
  H      -5.362753     -3.011591      5.969151
  N      -5.280741     -5.122147      2.198754
72
Coordinates from ORCA-job orca E -7297.714309508280
  N      -3.113652     -4.013080      1.510872
  C      -3.531905     -4.919993      0.454221
  C      -3.967628     -6.189626      1.148568
  N      -3.157612     -6.453533      2.336830
  C      -3.529409     -7.706170      3.103268
  C      -3.987654     -7.415749      4.546841
  N      -4.661938     -6.147249      4.529593
  Mo     -3.714927     -4.611934      3.449979
  N      -1.884922     -5.330411      4.185161
  C      -0.985732     -6.122268      3.360461
  C      -1.692279     -6.444783      2.054623
  H      -0.702442     -7.048955      3.892972
  H      -0.052443     -5.572200      3.148231
  H      -1.398586     -7.422725      1.645037
  H      -1.481844     -5.675171      1.309507
  H      -4.660128     -8.228627      4.861688
  H      -3.127398     -7.408227      5.236799
  H      -4.311762     -8.223375      2.532256
  H      -2.643866     -8.355937      3.129659
  H      -2.746797     -5.096357     -0.302045
  H      -4.406698     -4.486820     -0.059341
  H      -4.043882     -7.066422      0.479868
  H      -5.220504     -6.147665      1.650689
  C      -2.476579     -2.869522      1.236631
  C      -2.058287     -2.415913     -0.043939
  C      -1.507887     -1.157282     -0.164658
  C      -1.377605     -0.294612      0.953719
  C      -1.762153     -0.716953      2.206300
  C      -2.270008     -2.027146      2.376882
  N      -2.691649     -2.556803      3.564335
  C      -2.221619     -2.041923      4.712139
  C      -0.893374     -1.599995      5.030382
  O      -0.544577     -1.027047      6.034784
  Cl      0.445295     -2.259547      3.911456
  C      -5.906928     -5.930045      5.008655
  C      -6.669981     -6.793409      5.826135
  C      -7.956444     -6.435244      6.205251
  C      -8.524042     -5.223851      5.770830
  C      -7.796084     -4.355760      4.963869
  C      -6.484943     -4.686679      4.598812
  N      -5.680927     -3.898636      3.770329
  C      -5.893836     -2.553477      3.620306
  C      -5.609051     -1.834429      2.431980
  O      -5.367032     -2.152637      1.290342
  Cl     -5.663909      0.006071      2.842531
  C      -1.532174     -5.194596      5.499041
  C      -0.288958     -5.596047      6.041502
  C       0.014451     -5.330024      7.371203
  C      -0.897725     -4.650968      8.190924
  C      -2.135510     -4.276130      7.686202
  C      -2.483491     -4.578305      6.359084
  N      -3.660870     -4.163429      5.740868
  C      -4.722193     -3.738394      6.416281
  C      -5.189546     -4.273219      7.686616
  O      -4.840889     -5.237660      8.316331
  Cl     -6.612897     -3.269276      8.273045
  H      -2.212159     -3.039470     -0.923363
  H      -1.210872     -0.796396     -1.150841
  H      -1.006460      0.720155      0.811021
  H      -1.715126     -0.046122      3.063433
  H      -2.878355     -2.038029      5.578246
  H      -6.231690     -7.724932      6.184192
  H      -8.526252     -7.096337      6.859061
  H      -9.537458     -4.958611      6.072606
  H      -8.232292     -3.424057      4.602669
  H      -6.343268     -1.998353      4.445679
  H       0.461697     -6.059719      5.404724
  H       0.991181     -5.616621      7.763602
  H      -0.630648     -4.388033      9.214331
  H      -2.817251     -3.700627      8.307571
  H      -5.360216     -2.992038      5.959664
  N      -5.273189     -5.087601      2.214762
72
Coordinates from ORCA-job orca E -7297.717762939404
  N      -3.105705     -4.014481      1.514485
  C      -3.523309     -4.919530      0.453698
  C      -3.971808     -6.189590      1.139938
  N      -3.167030     -6.456270      2.332172
  C      -3.549432     -7.706337      3.093052
  C      -3.980426     -7.414657      4.544864
  N      -4.645113     -6.138456      4.547479
  Mo     -3.727511     -4.607571      3.445981
  N      -1.893130     -5.323371      4.184306
  C      -0.996956     -6.124026      3.364495
  C      -1.700004     -6.446656      2.057676
  H      -0.720601     -7.050642      3.900699
  H      -0.059756     -5.580229      3.153441
  H      -1.404797     -7.424442      1.648797
  H      -1.486271     -5.676438      1.314458
  H      -4.656274     -8.222036      4.865871
  H      -3.110759     -7.419311      5.222689
  H      -4.353137     -8.202847      2.533513
  H      -2.678328     -8.376284      3.099111
  H      -2.731521     -5.100747     -0.294242
  H      -4.388224     -4.478997     -0.070674
  H      -4.086006     -7.063145      0.474737
  H      -5.215992     -6.113776      1.666910
  C      -2.465548     -2.871883      1.241991
  C      -2.040759     -2.422842     -0.038074
  C      -1.492287     -1.163535     -0.162525
  C      -1.367870     -0.295564      0.952167
  C      -1.755434     -0.714373      2.205060
  C      -2.261761     -2.024713      2.380071
  N      -2.685507     -2.546536      3.570947
  C      -2.216760     -2.027642      4.713636
  C      -0.888368     -1.573215      5.025814
  O      -0.545436     -0.982790      6.021573
  Cl      0.449298     -2.216113      3.901370
  C      -5.898300     -5.936080      5.017414
  C      -6.662480     -6.811769      5.819640
  C      -7.953620     -6.462349      6.192145
  C      -8.525308     -5.250475      5.763715
  C      -7.797927     -4.373018      4.966679
  C      -6.482691     -4.695479      4.609819
  N      -5.680369     -3.905217      3.781785
  C      -5.898963     -2.558752      3.614641
  C      -5.630477     -1.851556      2.418569
  O      -5.389401     -2.173565      1.277123
  Cl     -5.694270     -0.004375      2.815101
  C      -1.538251     -5.191549      5.499336
  C      -0.297045     -5.602886      6.038462
  C       0.010472     -5.344100      7.368941
  C      -0.896513     -4.663553      8.193161
  C      -2.132933     -4.279582      7.692287
  C      -2.484570     -4.572391      6.363879
  N      -3.657510     -4.142197      5.749826
  C      -4.717110     -3.716807      6.426098
  C      -5.184093     -4.249875      7.696656
  O      -4.831367     -5.209158      8.331736
  Cl     -6.595903     -3.233661      8.294146
  H      -2.187954     -3.050812     -0.915493
  H      -1.192468     -0.806566     -1.149349
  H      -1.000553      0.720185      0.806386
  H      -1.714507     -0.039030      3.059095
  H      -2.867642     -2.031207      5.584283
  H      -6.222181     -7.743270      6.175049
  H      -8.524724     -7.130930      6.837281
  H      -9.541704     -4.993430      6.062647
  H      -8.234498     -3.440002      4.609196
  H      -6.336671     -1.996550      4.440814
  H       0.450122     -6.068750      5.399302
  H       0.986175     -5.637545      7.758880
  H      -0.625464     -4.406818      9.217187
  H      -2.811723     -3.703567      8.316613
  H      -5.352244     -2.967344      5.970035
  N      -5.270599     -5.053881      2.232690
72
Coordinates from ORCA-job orca E -7297.721234113885
  N      -3.097972     -4.016116      1.520176
  C      -3.515790     -4.918538      0.455101
  C      -3.975385     -6.192680      1.128556
  N      -3.178110     -6.459887      2.327367
  C      -3.571750     -7.705668      3.083925
  C      -3.973539     -7.412687      4.544011
  N      -4.627255     -6.128429      4.566683
  Mo     -3.738132     -4.600979      3.445779
  N      -1.898636     -5.315278      4.182733
  C      -1.007583     -6.126361      3.367358
  C      -1.709596     -6.449983      2.060983
  H      -0.738888     -7.052526      3.908104
  H      -0.066166     -5.590331      3.155357
  H      -1.412486     -7.428358      1.654572
  H      -1.492728     -5.680834      1.318027
  H      -4.652593     -8.213301      4.873764
  H      -3.093280     -7.429115      5.207498
  H      -4.398430     -8.179617      2.538493
  H      -2.717086     -8.396794      3.068881
  H      -2.714949     -5.101292     -0.282801
  H      -4.370298     -4.471476     -0.080774
  H      -4.116405     -7.061281      0.464205
  H      -5.206813     -6.084105      1.671927
  C      -2.455337     -2.874368      1.248984
  C      -2.026477     -2.429811     -0.031653
  C      -1.479977     -1.170153     -0.161729
  C      -1.359416     -0.296210      0.948494
  C      -1.747586     -0.711114      2.202423
  C      -2.251907     -2.021574      2.383838
  N      -2.676626     -2.533246      3.579340
  C      -2.208852     -2.010914      4.716624
  C      -0.879655     -1.547405      5.025240
  O      -0.544907     -0.946726      6.017179
  Cl      0.459270     -2.202997      3.917104
  C      -5.888220     -5.939311      5.026089
  C      -6.654386     -6.825085      5.814823
  C      -7.949723     -6.482491      6.179887
  C      -8.524565     -5.270657      5.755295
  C      -7.797596     -4.385657      4.966650
  C      -6.478785     -4.701540      4.618253
  N      -5.676603     -3.909781      3.790290
  C      -5.904904     -2.562338      3.604750
  C      -5.654927     -1.868373      2.400518
  O      -5.419738     -2.195433      1.258694
  Cl     -5.749422     -0.014046      2.776346
  C      -1.541867     -5.185721      5.498836
  C      -0.302016     -5.605378      6.034258
  C       0.009782     -5.353768      7.365499
  C      -0.892315     -4.673252      8.194862
  C      -2.128133     -4.281467      7.698560
  C      -2.483092     -4.564790      6.369175
  N      -3.653308     -4.119411      5.762099
  C      -4.710873     -3.697730      6.440744
  C      -5.175436     -4.235667      7.710432
  O      -4.821170     -5.196812      8.340870
  Cl     -6.592828     -3.226601      8.311280
  H      -2.169028     -3.062006     -0.906773
  H      -1.179258     -0.818017     -1.150082
  H      -0.996316      0.720488      0.798616
  H      -1.711504     -0.030724      3.052827
  H      -2.855379     -2.020346      5.590628
  H      -6.213952     -7.756503      6.169924
  H      -8.522502     -7.157167      6.817291
  H      -9.543760     -5.020453      6.050674
  H      -8.234616     -3.451868      4.611843
  H      -6.332158     -1.995470      4.432330
  H       0.442043     -6.072674      5.392685
  H       0.984892     -5.653372      7.752299
  H      -0.617471     -4.422980      9.219571
  H      -2.804745     -3.706232      8.326465
  H      -5.345867     -2.946551      5.986530
  N      -5.272696     -5.017608      2.252452
72
Coordinates from ORCA-job orca E -7297.725288793940
  N      -3.092010     -4.019284      1.528161
  C      -3.510300     -4.919442      0.457926
  C      -3.979336     -6.201849      1.114816
  N      -3.189860     -6.465851      2.322042
  C      -3.593146     -7.705939      3.076305
  C      -3.968105     -7.412073      4.543602
  N      -4.610210     -6.119994      4.584728
  Mo     -3.747730     -4.593918      3.449445
  N      -1.902618     -5.308279      4.180169
  C      -1.016885     -6.128234      3.367521
  C      -1.720350     -6.453832      2.062922
  H      -0.754210     -7.053658      3.912338
  H      -0.072332     -5.598841      3.152936
  H      -1.419671     -7.432875      1.660024
  H      -1.502180     -5.686464      1.319078
  H      -4.650457     -8.205159      4.882745
  H      -3.078094     -7.439169      5.193196
  H      -4.441104     -8.158959      2.545895
  H      -2.754401     -8.416170      3.042768
  H      -2.698210     -5.100376     -0.268410
  H      -4.354127     -4.466745     -0.089690
  H      -4.136447     -7.065362      0.449455
  H      -5.191273     -6.061518      1.667606
  C      -2.446958     -2.878233      1.258613
  C      -2.014840     -2.438261     -0.023269
  C      -1.468990     -1.179125     -0.160375
  C      -1.349885     -0.298826      0.944806
  C      -1.737921     -0.709077      2.200162
  C      -2.242011     -2.018866      2.389471
  N      -2.666313     -2.517983      3.591149
  C      -2.197861     -1.993338      4.722239
  C      -0.867392     -1.520087      5.025875
  O      -0.541919     -0.905817      6.012249
  Cl      0.470152     -2.177052      3.926634
  C      -5.878190     -5.942389      5.033507
  C      -6.647014     -6.836180      5.810478
  C      -7.946392     -6.498758      6.166956
  C      -8.523611     -5.287770      5.743717
  C      -7.796638     -4.396779      4.962075
  C      -6.474712     -4.707680      4.623212
  N      -5.670447     -3.914397      3.795231
  C      -5.913347     -2.565307      3.594713
  C      -5.682976     -1.880330      2.385810
  O      -5.449047     -2.208051      1.243394
  Cl     -5.807591     -0.020638      2.748017
  C      -1.545203     -5.180430      5.497728
  C      -0.306186     -5.607350      6.028964
  C       0.010606     -5.362492      7.360715
  C      -0.886047     -4.682100      8.195655
  C      -2.121927     -4.283268      7.704876
  C      -2.481313     -4.558459      6.375334
  N      -3.651058     -4.098022      5.778022
  C      -4.706538     -3.679917      6.457868
  C      -5.172436     -4.226133      7.724999
  O      -4.817745     -5.190531      8.348434
  Cl     -6.593680     -3.222114      8.329894
  H      -2.154337     -3.074338     -0.896050
  H      -1.168065     -0.833098     -1.150931
  H      -0.989643      0.718272      0.790323
  H      -1.704594     -0.023380      3.046634
  H      -2.839575     -2.008724      5.599941
  H      -6.208377     -7.767550      6.167596
  H      -8.521236     -7.178241      6.797590
  H      -9.545632     -5.043287      6.034515
  H      -8.234287     -3.462870      4.608508
  H      -6.332852     -2.000484      4.426533
  H       0.434931     -6.075601      5.384809
  H       0.985678     -5.667646      7.743454
  H      -0.606693     -4.437514      9.220664
  H      -2.795828     -3.708394      8.336522
  H      -5.340261     -2.926452      6.004190
  N      -5.278528     -4.977894      2.274230
72
Coordinates from ORCA-job orca E -7297.728983347891
  N      -3.086238     -4.022369      1.536116
  C      -3.504493     -4.920563      0.460960
  C      -3.983427     -6.210543      1.101321
  N      -3.202043     -6.471479      2.316936
  C      -3.615478     -7.705788      3.068514
  C      -3.962725     -7.411004      4.542737
  N      -4.592969     -6.111205      4.602787
  Mo     -3.757787     -4.587008      3.452600
  N      -1.907112     -5.300834      4.178014
  C      -1.026807     -6.129895      3.368400
  C      -1.731401     -6.457535      2.065404
  H      -0.770467     -7.054499      3.917480
  H      -0.078969     -5.607438      3.151441
  H      -1.427235     -7.437246      1.666083
  H      -1.511753     -5.691947      1.320706
  H      -4.647942     -8.196550      4.891746
  H      -3.062895     -7.448980      5.177691
  H      -4.484357     -8.136932      2.553905
  H      -2.793905     -8.435189      3.016033
  H      -2.681213     -5.100284     -0.253343
  H      -4.337241     -4.462308     -0.098617
  H      -4.158244     -7.068619      0.435382
  H      -5.175950     -6.038082      1.664661
  C      -2.438736     -2.882087      1.268127
  C      -2.003256     -2.446709     -0.014891
  C      -1.457867     -1.188176     -0.158769
  C      -1.340056     -0.301785      0.941501
  C      -1.727963     -0.707507      2.198232
  C      -2.232036     -2.016535      2.395135
  N      -2.655984     -2.503415      3.602666
  C      -2.186890     -1.976466      4.727554
  C      -0.855382     -1.492846      5.025649
  O      -0.539054     -0.863725      6.005261
  Cl      0.480458     -2.147325      3.932314
  C      -5.867908     -5.945376      5.040747
  C      -6.639084     -6.847626      5.805456
  C      -7.942263     -6.515503      6.153973
  C      -8.521891     -5.304982      5.733114
  C      -7.795165     -4.407606      4.958869
  C      -6.470299     -4.713427      4.628879
  N      -5.664446     -3.918542      3.801135
  C      -5.921070     -2.568197      3.585164
  C      -5.710466     -1.893105      2.371331
  O      -5.478342     -2.221974      1.228346
  Cl     -5.860945     -0.028358      2.720133
  C      -1.548778     -5.174735      5.496925
  C      -0.310608     -5.608833      6.023900
  C       0.011138     -5.370614      7.356094
  C      -0.880095     -4.690276      8.196456
  C      -2.116036     -4.284604      7.711186
  C      -2.479820     -4.551898      6.381571
  N      -3.648558     -4.076539      5.793536
  C      -4.702409     -3.662703      6.474475
  C      -5.170909     -4.218652      7.737737
  O      -4.816922     -5.187270      8.353302
  Cl     -6.596149     -3.219948      8.346800
  H      -2.139709     -3.086605     -0.885339
  H      -1.156649     -0.848085     -1.151393
  H      -0.982546      0.715652      0.782530
  H      -1.697291     -0.016679      3.040850
  H      -2.823359     -1.998074      5.609156
  H      -6.202070     -7.779170      6.163765
  H      -8.518976     -7.200107      6.777547
  H      -9.546556     -5.066331      6.019849
  H      -8.233365     -3.473241      4.607339
  H      -6.331323     -2.003957      4.420905
  H       0.427557     -6.078001      5.377162
  H       0.986144     -5.681165      7.734822
  H      -0.596228     -4.451166      9.221657
  H      -2.787153     -3.709956      8.346443
  H      -5.334710     -2.906669      6.021650
  N      -5.283113     -4.939753      2.295453
72
Coordinates from ORCA-job orca E -7297.731911543156
  N      -3.081200     -4.025858      1.542890
  C      -3.499037     -4.923604      0.463875
  C      -3.988390     -6.219350      1.090522
  N      -3.214398     -6.476393      2.314272
  C      -3.639022     -7.704049      3.063956
  C      -3.955300     -7.407933      4.544809
  N      -4.574511     -6.101170      4.623246
  Mo     -3.766683     -4.578893      3.456519
  N      -1.909557     -5.291336      4.176202
  C      -1.036343     -6.132045      3.370575
  C      -1.742649     -6.462248      2.069764
  H      -0.788256     -7.055604      3.925098
  H      -0.084096     -5.618912      3.150513
  H      -1.435817     -7.443270      1.674934
  H      -1.521222     -5.699493      1.323262
  H      -4.641444     -8.186273      4.906249
  H      -3.044556     -7.455060      5.162881
  H      -4.530183     -8.110423      2.567525
  H      -2.837322     -8.453936      2.990937
  H      -2.663555     -5.103532     -0.236577
  H      -4.319792     -4.461728     -0.109903
  H      -4.180241     -7.073060      0.425550
  H      -5.163363     -6.018304      1.663857
  C      -2.431415     -2.886564      1.274876
  C      -1.993562     -2.457043     -0.009972
  C      -1.449329     -1.198984     -0.162190
  C      -1.332585     -0.305496      0.932226
  C      -1.719068     -0.705834      2.191048
  C      -2.221435     -2.014411      2.397158
  N      -2.644176     -2.488608      3.610931
  C      -2.176628     -1.956777      4.730148
  C      -0.845232     -1.462170      5.025069
  O      -0.540816     -0.816895      5.997691
  Cl      0.493632     -2.125841      3.949621
  C      -5.858698     -5.949082      5.044441
  C      -6.633264     -6.861798      5.793244
  C      -7.941617     -6.537514      6.130718
  C      -8.523956     -5.327331      5.713266
  C      -7.796379     -4.421044      4.950539
  C      -6.467593     -4.719705      4.631700
  N      -5.658996     -3.919570      3.808896
  C      -5.927218     -2.567271      3.584761
  C      -5.734451     -1.896940      2.368858
  O      -5.504059     -2.222751      1.224277
  Cl     -5.909985     -0.029344      2.712273
  C      -1.550518     -5.167589      5.496331
  C      -0.313742     -5.609970      6.019330
  C       0.012212     -5.379884      7.352381
  C      -0.873725     -4.700047      8.198282
  C      -2.109093     -4.286288      7.717984
  C      -2.476420     -4.544241      6.387872
  N      -3.643312     -4.052631      5.808714
  C      -4.695273     -3.643600      6.491598
  C      -5.164470     -4.209064      7.751885
  O      -4.809765     -5.181497      8.359336
  Cl     -6.591350     -3.214358      8.367985
  H      -2.127532     -3.101670     -0.877304
  H      -1.148777     -0.865563     -1.157384
  H      -0.978500      0.712308      0.767548
  H      -1.690847     -0.009205      3.029172
  H      -2.810013     -1.982311      5.614037
  H      -6.197591     -7.793553      6.152348
  H      -8.520953     -7.229388      6.743973
  H      -9.552263     -5.096235      5.993518
  H      -8.235368     -3.485880      4.602228
  H      -6.326732     -2.006324      4.427062
  H       0.421512     -6.079923      5.369955
  H       0.986708     -5.696843      7.727311
  H      -0.586036     -4.467581      9.224082
  H      -2.777453     -3.712163      8.357073
  H      -5.326635     -2.884699      6.040789
  N      -5.288084     -4.905305      2.314619
72
Coordinates from ORCA-job orca E -7297.733989923305
  N      -3.075768     -4.026376      1.548402
  C      -3.492287     -4.922866      0.465606
  C      -3.993647     -6.221001      1.081449
  N      -3.227298     -6.477976      2.312497
  C      -3.668114     -7.698895      3.058201
  C      -3.947543     -7.403047      4.545919
  N      -4.556221     -6.089916      4.643777
  Mo     -3.774296     -4.569496      3.459995
  N      -1.910775     -5.280318      4.175175
  C      -1.047053     -6.136915      3.375782
  C      -1.754072     -6.468392      2.076435
  H      -0.811587     -7.059650      3.937054
  H      -0.088001     -5.637594      3.153320
  H      -1.447193     -7.451550      1.686309
  H      -1.527787     -5.709225      1.328286
  H      -4.631269     -8.175575      4.922643
  H      -3.023885     -7.457816      5.143261
  H      -4.584061     -8.072915      2.581792
  H      -2.892144     -8.473028      2.960625
  H      -2.644567     -5.105599     -0.219638
  H      -4.299595     -4.457909     -0.124189
  H      -4.203339     -7.070354      0.417909
  H      -5.153891     -5.997523      1.663461
  C      -2.421878     -2.889067      1.280524
  C      -1.979950     -2.465957     -0.005484
  C      -1.433094     -1.209782     -0.164532
  C      -1.314980     -0.310909      0.924906
  C      -1.702084     -0.705794      2.185313
  C      -2.207141     -2.012302      2.398655
  N      -2.631324     -2.474623      3.617038
  C      -2.166291     -1.937410      4.731629
  C      -0.837782     -1.425233      5.020482
  O      -0.544648     -0.757931      5.981491
  Cl      0.502520     -2.072504      3.943681
  C      -5.848711     -5.949563      5.050846
  C      -6.624783     -6.871238      5.787307
  C      -7.936521     -6.553986      6.118873
  C      -8.522226     -5.343811      5.706857
  C      -7.795617     -4.429849      4.952816
  C      -6.464403     -4.722406      4.639813
  N      -5.656668     -3.918536      3.817501
  C      -5.935511     -2.566292      3.581755
  C      -5.762986     -1.907460      2.358957
  O      -5.539431     -2.237950      1.214294
  Cl     -5.962010     -0.036162      2.687275
  C      -1.551483     -5.158622      5.495888
  C      -0.316468     -5.609652      6.016180
  C       0.012521     -5.387779      7.349934
  C      -0.868831     -4.708448      8.200872
  C      -2.102897     -4.286717      7.724527
  C      -2.472818     -4.534980      6.393314
  N      -3.637913     -4.030018      5.822222
  C      -4.692344     -3.635801      6.507321
  C      -5.163500     -4.221386      7.758873
  O      -4.809789     -5.203722      8.349672
  Cl     -6.608836     -3.251572      8.374243
  H      -2.112738     -3.114552     -0.870000
  H      -1.131502     -0.882923     -1.161635
  H      -0.960820      0.706134      0.755617
  H      -1.674371     -0.004602      3.019784
  H      -2.795428     -1.969408      5.618500
  H      -6.189439     -7.803394      6.145499
  H      -8.516547     -7.252736      6.723757
  H      -9.552918     -5.119327      5.983929
  H      -8.235966     -3.493814      4.608669
  H      -6.320787     -2.002798      4.428398
  H       0.416301     -6.080277      5.364622
  H       0.986141     -5.711255      7.721671
  H      -0.578367     -4.482759      9.227465
  H      -2.768587     -3.713320      8.367188
  H      -5.328247     -2.877753      6.060464
  N      -5.292243     -4.872766      2.330221
72
Coordinates from ORCA-job orca E -7297.735446614614
  N      -3.070755     -4.029089      1.551480
  C      -3.484509     -4.925562      0.466007
  C      -3.997444     -6.223639      1.074272
  N      -3.238906     -6.480603      2.312212
  C      -3.697896     -7.693948      3.054159
  C      -3.937537     -7.398679      4.547802
  N      -4.538451     -6.080805      4.663258
  Mo     -3.780192     -4.561797      3.462854
  N      -1.909807     -5.269252      4.173960
  C      -1.056642     -6.143723      3.382256
  C      -1.764354     -6.477290      2.084530
  H      -0.835263     -7.064909      3.951674
  H      -0.090099     -5.660236      3.157036
  H      -1.458119     -7.463027      1.699856
  H      -1.532914     -5.722469      1.333912
  H      -4.615086     -8.167137      4.942326
  H      -3.000045     -7.457204      5.122070
  H      -4.639032     -8.031218      2.599851
  H      -2.951733     -8.493567      2.930238
  H      -2.624339     -5.112486     -0.202836
  H      -4.277961     -4.459854     -0.141316
  H      -4.222010     -7.069954      0.412892
  H      -5.145787     -5.984397      1.662074
  C      -2.415245     -2.892675      1.282141
  C      -1.972674     -2.475572     -0.005963
  C      -1.428593     -1.219214     -0.173484
  C      -1.312754     -0.313304      0.909896
  C      -1.697223     -0.703284      2.172691
  C      -2.196808     -2.010420      2.395332
  N      -2.619100     -2.463244      3.618586
  C      -2.160360     -1.919228      4.730447
  C      -0.834902     -1.395873      5.022643
  O      -0.556934     -0.716237      5.979401
  Cl      0.518950     -2.076546      3.989570
  C      -5.841470     -5.954273      5.049025
  C      -6.620247     -6.886787      5.769172
  C      -7.937273     -6.580035      6.089735
  C      -8.526955     -5.370361      5.682680
  C      -7.799821     -4.446417      4.941840
  C      -6.464808     -4.730208      4.638441
  N      -5.655698     -3.917112      3.824505
  C      -5.939826     -2.562471      3.591468
  C      -5.781558     -1.903464      2.368363
  O      -5.559322     -2.228826      1.222098
  Cl     -5.982558     -0.030786      2.702169
  C      -1.550768     -5.148561      5.495014
  C      -0.317347     -5.606681      6.013742
  C       0.013900     -5.391138      7.347914
  C      -0.863618     -4.711747      8.202717
  C      -2.096119     -4.283176      7.728996
  C      -2.468122     -4.524221      6.397025
  N      -3.631047     -4.007267      5.832790
  C      -4.685395     -3.620941      6.520362
  C      -5.154477     -4.216030      7.769392
  O      -4.790269     -5.195105      8.358446
  Cl     -6.585549     -3.238438      8.406823
  H      -2.103605     -3.129166     -0.866926
  H      -1.128683     -0.898358     -1.173059
  H      -0.963715      0.704479      0.734554
  H      -1.673013      0.003516      3.002559
  H      -2.790939     -1.954129      5.616319
  H      -6.184531     -7.818764      6.127122
  H      -8.518749     -7.287652      6.682873
  H      -9.561334     -5.154469      5.952841
  H      -8.241814     -3.509590      4.602096
  H      -6.308344     -2.002218      4.447278
  H       0.413467     -6.078141      5.360714
  H       0.986684     -5.720027      7.717135
  H      -0.571159     -4.491365      9.229920
  H      -2.759737     -3.710001      8.374230
  H      -5.323003     -2.861507      6.077494
  N      -5.296443     -4.849073      2.341569
72
Coordinates from ORCA-job orca E -7297.736608934419
  N      -3.065255     -4.029723      1.554289
  C      -3.474855     -4.925468      0.465703
  C      -4.001346     -6.220661      1.068246
  N      -3.251133     -6.481467      2.312284
  C      -3.733546     -7.686675      3.048460
  C      -3.928106     -7.394861      4.547725
  N      -4.522290     -6.073112      4.681141
  Mo     -3.784453     -4.554622      3.466142
  N      -1.907619     -5.259319      4.173437
  C      -1.066958     -6.153976      3.390583
  C      -1.775188     -6.488448      2.094028
  H      -0.862351     -7.073483      3.968857
  H      -0.091684     -5.689389      3.163058
  H      -1.471767     -7.477299      1.714629
  H      -1.536562     -5.738330      1.341135
  H      -4.595224     -8.161280      4.962468
  H      -2.975173     -7.454621      5.094939
  H      -4.700864     -7.978618      2.618255
  H      -3.024451     -8.514639      2.894077
  H      -2.602259     -5.118939     -0.185472
  H      -4.252812     -4.459247     -0.160620
  H      -4.240237     -7.063977      0.408704
  H      -5.139927     -5.971898      1.659379
  C      -2.406226     -2.894958      1.284456
  C      -1.960759     -2.483733     -0.004748
  C      -1.414706     -1.228871     -0.178317
  C      -1.298104     -0.318327      0.900527
  C      -1.683046     -0.703567      2.164804
  C      -2.183594     -2.009197      2.393721
  N      -2.606760     -2.453793      3.620059
  C      -2.154016     -1.903443      4.729613
  C      -0.834812     -1.359812      5.019081
  O      -0.570687     -0.656834      5.962757
  Cl      0.526906     -2.026763      3.991341
  C      -5.833693     -5.956988      5.050745
  C      -6.613311     -6.897545      5.759968
  C      -7.933684     -6.599442      6.074708
  C      -8.527579     -5.390260      5.673007
  C      -7.801559     -4.458793      4.940954
  C      -6.464416     -4.735839      4.641678
  N      -5.656818     -3.915268      3.831704
  C      -5.943768     -2.559005      3.600516
  C      -5.802107     -1.903816      2.373982
  O      -5.593836     -2.230073      1.225657
  Cl     -6.012462     -0.029924      2.705608
  C      -1.549358     -5.139467      5.494542
  C      -0.317476     -5.604156      6.012619
  C       0.015846     -5.393280      7.346645
  C      -0.858104     -4.712929      8.204589
  C      -2.089019     -4.278823      7.732929
  C      -2.463238     -4.514394      6.400336
  N      -3.624761     -3.988528      5.842529
  C      -4.681069     -3.613999      6.532464
  C      -5.150218     -4.223918      7.775210
  O      -4.790438     -5.214329      8.347481
  Cl     -6.599607     -3.270643      8.407764
  H      -2.091030     -3.140969     -0.862978
  H      -1.113976     -0.913698     -1.179460
  H      -0.949316      0.698801      0.721031
  H      -1.659736      0.007175      2.991375
  H      -2.783080     -1.945476      5.616346
  H      -6.176627     -7.829409      6.116893
  H      -8.514743     -7.314332      6.659522
  H      -9.564220     -5.181078      5.939780
  H      -8.245485     -3.521311      4.605578
  H      -6.291339     -1.998004      4.464325
  H       0.411584     -6.076650      5.358446
  H       0.987927     -5.726783      7.713630
  H      -0.563861     -4.496412      9.232101
  H      -2.750528     -3.705313      8.380153
  H      -5.322655     -2.854902      6.094312
  N      -5.300163     -4.827820      2.349830
72
Coordinates from ORCA-job orca E -7297.737499087608
  N      -3.057861     -4.028016      1.555119
  C      -3.460436     -4.922204      0.462629
  C      -4.002280     -6.211753      1.060356
  N      -3.262277     -6.480767      2.310269
  C      -3.773729     -7.677178      3.038361
  C      -3.921090     -7.392508      4.542327
  N      -4.509978     -6.068113      4.692667
  Mo     -3.787163     -4.549236      3.466870
  N      -1.905121     -5.251192      4.172526
  C      -1.077368     -6.167091      3.400162
  C      -1.784842     -6.502035      2.103934
  H      -0.891214     -7.084338      3.988082
  H      -0.092864     -5.723076      3.171361
  H      -1.486072     -7.494539      1.730088
  H      -1.536499     -5.757126      1.349034
  H      -4.573655     -8.159444      4.978131
  H      -2.952433     -7.450309      5.060387
  H      -4.765931     -7.915952      2.632526
  H      -3.108473     -8.534555      2.850923
  H      -2.575998     -5.124016     -0.170283
  H      -4.221586     -4.455459     -0.183416
  H      -4.254116     -7.051729      0.401497
  H      -5.134319     -5.960464      1.651118
  C      -2.396051     -2.894061      1.286378
  C      -1.947207     -2.486564     -0.002890
  C      -1.400735     -1.232178     -0.179905
  C      -1.286293     -0.318427      0.895822
  C      -1.672864     -0.701020      2.160607
  C      -2.172341     -2.006233      2.393153
  N      -2.596737     -2.446923      3.620717
  C      -2.152075     -1.891309      4.729927
  C      -0.840697     -1.327763      5.019942
  O      -0.590325     -0.610201      5.956257
  Cl      0.533299     -1.995858      4.011586
  C      -5.826785     -5.957549      5.053907
  C      -6.605400     -6.902158      5.759264
  C      -7.926702     -6.609468      6.074392
  C      -8.524522     -5.400934      5.677021
  C      -7.801117     -4.466067      4.947156
  C      -6.463607     -4.739293      4.646542
  N      -5.660746     -3.915492      3.833800
  C      -5.948610     -2.559769      3.597443
  C      -5.825753     -1.917694      2.361842
  O      -5.634037     -2.255430      1.214433
  Cl     -6.023035     -0.039136      2.679730
  C      -1.547916     -5.129764      5.493080
  C      -0.316985     -5.598218      6.012098
  C       0.017260     -5.389270      7.345519
  C      -0.855093     -4.708533      8.205387
  C      -2.084747     -4.272129      7.734423
  C      -2.459869     -4.504215      6.400923
  N      -3.621969     -3.976305      5.848566
  C      -4.682408     -3.619881      6.541360
  C      -5.146317     -4.247019      7.777936
  O      -4.773294     -5.237109      8.342470
  Cl     -6.598955     -3.309714      8.424675
  H      -2.075364     -3.146415     -0.859351
  H      -1.098334     -0.920674     -1.181656
  H      -0.938790      0.698663      0.713976
  H      -1.652506      0.012529      2.984811
  H      -2.781538     -1.941284      5.615970
  H      -6.167272     -7.833811      6.114878
  H      -8.505542     -7.328718      6.656018
  H      -9.561708     -5.195537      5.944422
  H      -8.246856     -3.528428      4.614585
  H      -6.271496     -1.989833      4.464816
  H       0.411239     -6.071633      5.357709
  H       0.989012     -5.725059      7.711257
  H      -0.560293     -4.494157      9.233127
  H      -2.745801     -3.699186      8.382676
  H      -5.333274     -2.865245      6.109257
  N      -5.301323     -4.811378      2.350538
72
Coordinates from ORCA-job orca E -7297.738204416471
  N      -3.050954     -4.031226      1.555591
  C      -3.444777     -4.925376      0.460166
  C      -4.002782     -6.207318      1.054866
  N      -3.272661     -6.484431      2.310236
  C      -3.813260     -7.670297      3.032357
  C      -3.915634     -7.394008      4.539029
  N      -4.500992     -6.068449      4.703232
  Mo     -3.788302     -4.548884      3.468878
  N      -1.900773     -5.246995      4.171849
  C      -1.085551     -6.182702      3.409151
  C      -1.794379     -6.520262      2.114670
  H      -0.914998     -7.096430      4.007153
  H      -0.093459     -5.757722      3.177111
  H      -1.500328     -7.516658      1.747162
  H      -1.538082     -5.781282      1.356390
  H      -4.551509     -8.162731      4.995632
  H      -2.932743     -7.446236      5.029002
  H      -4.827167     -7.853788      2.651832
  H      -3.194307     -8.554622      2.813059
  H      -2.548617     -5.136773     -0.153601
  H      -4.188262     -4.459708     -0.206624
  H      -4.264557     -7.045083      0.396659
  H      -5.129803     -5.959250      1.642246
  C      -2.388248     -2.897088      1.287217
  C      -1.937567     -2.492935     -0.002557
  C      -1.393492     -1.237902     -0.183692
  C      -1.283227     -0.320072      0.888472
  C      -1.670511     -0.699984      2.154049
  C      -2.165677     -2.005864      2.391042
  N      -2.588716     -2.444599      3.620035
  C      -2.152602     -1.883430      4.729101
  C      -0.850288     -1.298793      5.020069
  O      -0.615177     -0.562951      5.945973
  Cl      0.537125     -1.962136      4.027960
  C      -5.824419     -5.964046      5.049521
  C      -6.603837     -6.913061      5.748298
  C      -7.927878     -6.627265      6.057858
  C      -8.528699     -5.419660      5.662381
  C      -7.805383     -4.480676      4.937840
  C      -6.466553     -4.749567      4.639947
  N      -5.663891     -3.917105      3.834710
  C      -5.941981     -2.556116      3.617131
  C      -5.834618     -1.906180      2.383598
  O      -5.669504     -2.238121      1.230839
  Cl     -6.000743     -0.027737      2.719954
  C      -1.544307     -5.122076      5.491855
  C      -0.313125     -5.591037      6.011583
  C       0.023998     -5.378495      7.343107
  C      -0.845856     -4.694314      8.203333
  C      -2.075663     -4.259030      7.733235
  C      -2.454384     -4.494871      6.400992
  N      -3.618657     -3.967639      5.853549
  C      -4.679458     -3.616934      6.548515
  C      -5.140084     -4.249304      7.784146
  O      -4.767709     -5.244787      8.339785
  Cl     -6.600048     -3.324766      8.429848
  H      -2.062616     -3.155989     -0.856959
  H      -1.090289     -0.929904     -1.186279
  H      -0.938978      0.697574      0.703713
  H      -1.654375      0.017006      2.975340
  H      -2.783029     -1.941722      5.613957
  H      -6.164526     -7.843949      6.104585
  H      -8.506040     -7.351130      6.634398
  H      -9.567423     -5.218235      5.926745
  H      -8.251952     -3.542647      4.607341
  H      -6.232626     -1.989090      4.497685
  H       0.413743     -6.066666      5.357230
  H       0.996540     -5.713792      7.707252
  H      -0.548798     -4.476912      9.229746
  H      -2.735607     -3.683996      8.380942
  H      -5.333825     -2.863268      6.119914
  N      -5.302905     -4.805460      2.349911
72
Coordinates from ORCA-job orca E -7297.738708339851
  N      -3.040239     -4.027727      1.556820
  C      -3.423103     -4.919649      0.456583
  C      -4.002325     -6.191098      1.046562
  N      -3.283561     -6.483524      2.306577
  C      -3.857696     -7.658135      3.020521
  C      -3.917663     -7.396426      4.529100
  N      -4.496809     -6.069436      4.708088
  Mo     -3.787687     -4.548339      3.469878
  N      -1.896923     -5.246534      4.170582
  C      -1.094250     -6.200308      3.416228
  C      -1.804930     -6.538631      2.123432
  H      -0.937785     -7.110733      4.022957
  H      -0.095448     -5.793455      3.180898
  H      -1.518535     -7.539411      1.761718
  H      -1.538219     -5.805871      1.362439
  H      -4.536262     -8.168398      5.003723
  H      -2.922395     -7.443710      4.992592
  H      -4.890032     -7.780172      2.664807
  H      -3.290077     -8.567730      2.767485
  H      -2.516602     -5.143361     -0.138222
  H      -4.146475     -4.452522     -0.231049
  H      -4.275442     -7.024239      0.386163
  H      -5.126349     -5.951087      1.627440
  C      -2.376272     -2.892776      1.292420
  C      -1.920899     -2.489036      0.004170
  C      -1.379793     -1.232463     -0.176709
  C      -1.277546     -0.312882      0.894208
  C      -1.668741     -0.692950      2.158783
  C      -2.159191     -2.000290      2.395833
  N      -2.582588     -2.441848      3.623867
  C      -2.157014     -1.876690      4.734452
  C      -0.865972     -1.268789      5.028242
  O      -0.646484     -0.519453      5.946874
  Cl      0.537746     -1.928086      4.055603
  C      -5.821629     -5.962902      5.054577
  C      -6.598777     -6.909811      5.758731
  C      -7.921858     -6.624841      6.072548
  C      -8.525109     -5.418862      5.675647
  C      -7.804393     -4.482829      4.944744
  C      -6.466621     -4.752109      4.642801
  N      -5.669548     -3.922530      3.829428
  C      -5.938933     -2.562839      3.599816
  C      -5.857864     -1.938016      2.350424
  O      -5.733696     -2.297708      1.201380
  Cl     -5.984706     -0.051793      2.653649
  C      -1.540639     -5.117534      5.489601
  C      -0.308841     -5.585923      6.010271
  C       0.030802     -5.369371      7.339743
  C      -0.837800     -4.683218      8.200561
  C      -2.068136     -4.250754      7.731245
  C      -2.449460     -4.489254      6.399572
  N      -3.618299     -3.968062      5.858063
  C      -4.680816     -3.633123      6.558186
  C      -5.129265     -4.277965      7.791852
  O      -4.740690     -5.271643      8.340312
  Cl     -6.593333     -3.373328      8.451848
  H      -2.040030     -3.153624     -0.849877
  H      -1.073068     -0.925422     -1.178512
  H      -0.936310      0.705796      0.709727
  H      -1.658992      0.025669      2.978728
  H      -2.789533     -1.944993      5.616977
  H      -6.157892     -7.839836      6.115627
  H      -8.496899     -7.348016      6.653025
  H      -9.562923     -5.216746      5.942932
  H      -8.251586     -3.545761      4.611982
  H      -6.191463     -1.975042      4.478393
  H       0.416582     -6.063880      5.355875
  H       1.004312     -5.703385      7.702529
  H      -0.539136     -4.463192      9.225891
  H      -2.728513     -3.675547      8.378626
  H      -5.346439     -2.885435      6.137388
  N      -5.300721     -4.797363      2.343891
72
Coordinates from ORCA-job orca E -7297.739030175860
  N      -3.033718     -4.030380      1.557059
  C      -3.406529     -4.921636      0.454068
  C      -4.002298     -6.183818      1.041097
  N      -3.290192     -6.488391      2.303398
  C      -3.885932     -7.654112      3.013939
  C      -3.924777     -7.404916      4.522746
  N      -4.498517     -6.076879      4.710254
  Mo     -3.787005     -4.555557      3.471136
  N      -1.893527     -5.250258      4.169318
  C      -1.096847     -6.212712      3.418600
  C      -1.811738     -6.556291      2.128993
  H      -0.941946     -7.119080      4.031579
  H      -0.096935     -5.812379      3.177118
  H      -1.530553     -7.560769      1.773511
  H      -1.539120     -5.829680      1.364093
  H      -4.533540     -8.179390      5.006146
  H      -2.923963     -7.448747      4.973663
  H      -4.928072     -7.734783      2.673979
  H      -3.353149     -8.578247      2.737770
  H      -2.493715     -5.155182     -0.127906
  H      -4.115038     -4.453796     -0.248568
  H      -4.282391     -7.013315      0.377886
  H      -5.124724     -5.956534      1.615421
  C      -2.371340     -2.893499      1.295854
  C      -1.911789     -2.489758      0.009016
  C      -1.374919     -1.231149     -0.171381
  C      -1.281367     -0.309738      0.898537
  C      -1.676280     -0.689882      2.162113
  C      -2.162088     -1.998714      2.398957
  N      -2.583680     -2.444197      3.626207
  C      -2.164375     -1.875744      4.736929
  C      -0.883902     -1.244848      5.028165
  O      -0.674586     -0.488392      5.942951
  Cl      0.529834     -1.891119      4.059353
  C      -5.825265     -5.967940      5.052035
  C      -6.601972     -6.911412      5.760809
  C      -7.925284     -6.625715      6.073922
  C      -8.528235     -5.420994      5.672431
  C      -7.807101     -4.488847      4.936488
  C      -6.470465     -4.760977      4.633068
  N      -5.673226     -3.931796      3.820732
  C      -5.916889     -2.565142      3.609229
  C      -5.863339     -1.937116      2.358912
  O      -5.791114     -2.299756      1.206513
  Cl     -5.896212     -0.050259      2.670895
  C      -1.537556     -5.114618      5.487842
  C      -0.303628     -5.576805      6.009488
  C       0.039037     -5.350221      7.336170
  C      -0.829215     -4.660371      8.194981
  C      -2.062088     -4.236010      7.725962
  C      -2.447127     -4.485035      6.396941
  N      -3.622545     -3.974504      5.859070
  C      -4.684865     -3.644355      6.561681
  C      -5.126400     -4.292310      7.796094
  O      -4.727467     -5.282715      8.343574
  Cl     -6.593612     -3.398996      8.460702
  H      -2.023526     -3.156281     -0.844562
  H      -1.064422     -0.924789     -1.172248
  H      -0.942966      0.709959      0.714491
  H      -1.671930      0.030231      2.980806
  H      -2.795201     -1.954773      5.619741
  H      -6.160203     -7.839702      6.121457
  H      -8.499405     -7.346132      6.658684
  H      -9.565401     -5.216344      5.940324
  H      -8.252578     -3.552037      4.600208
  H      -6.116065     -1.972560      4.498395
  H       0.420803     -6.057578      5.355889
  H       1.014690     -5.678670      7.698336
  H      -0.528153     -4.431912      9.217738
  H      -2.723456     -3.658726      8.370672
  H      -5.358422     -2.902989      6.142040
  N      -5.298268     -4.804863      2.339750
72
Coordinates from ORCA-job orca E -7297.739261199458
  N      -3.028289     -4.028604      1.559334
  C      -3.397018     -4.919140      0.454668
  C      -4.003515     -6.176703      1.038691
  N      -3.292907     -6.489815      2.300389
  C      -3.895900     -7.652148      3.010382
  C      -3.933620     -7.410899      4.519718
  N      -4.502105     -6.081287      4.710152
  Mo     -3.784851     -4.560066      3.473970
  N      -1.892316     -5.257487      4.168878
  C      -1.096304     -6.218394      3.415843
  C      -1.815241     -6.564328      2.128787
  H      -0.934959     -7.123294      4.029200
  H      -0.098968     -5.814528      3.169438
  H      -1.537912     -7.571093      1.776756
  H      -1.539575     -5.841450      1.361431
  H      -4.543284     -8.185477      5.001764
  H      -2.933128     -7.456901      4.971634
  H      -4.940358     -7.719701      2.673698
  H      -3.374141     -8.579972      2.725069
  H      -2.483248     -5.158241     -0.123946
  H      -4.099099     -4.448774     -0.252994
  H      -4.287086     -7.002605      0.371567
  H      -5.126303     -5.958124      1.608674
  C      -2.368666     -2.889478      1.301729
  C      -1.907450     -2.483257      0.016057
  C      -1.378142     -1.221249     -0.163027
  C      -1.294864     -0.298680      0.906796
  C      -1.690583     -0.681175      2.169446
  C      -2.166624     -1.993606      2.405921
  N      -2.583398     -2.444757      3.633060
  C      -2.166939     -1.876509      4.744667
  C      -0.889888     -1.239569      5.039305
  O      -0.687207     -0.476310      5.949632
  Cl      0.530931     -1.884864      4.077845
  C      -5.827900     -5.967282      5.054828
  C      -6.603568     -6.905108      5.771639
  C      -7.926908     -6.616379      6.083528
  C      -8.529139     -5.414380      5.672810
  C      -7.807761     -4.487842      4.929344
  C      -6.471588     -4.762981      4.627750
  N      -5.673149     -3.940510      3.811171
  C      -5.892484     -2.570716      3.595062
  C      -5.866606     -1.959213      2.335366
  O      -5.853726     -2.343108      1.187533
  Cl     -5.848709     -0.069589      2.618232
  C      -1.536627     -5.120141      5.487776
  C      -0.301742     -5.579273      6.008756
  C       0.043473     -5.347116      7.334085
  C      -0.823847     -4.654694      8.191735
  C      -2.058420     -4.234139      7.723363
  C      -2.445918     -4.489128      6.396369
  N      -3.625377     -3.983131      5.861199
  C      -4.683843     -3.650197      6.567608
  C      -5.117505     -4.295463      7.806297
  O      -4.713631     -5.284600      8.352398
  Cl     -6.586474     -3.408272      8.473375
  H      -2.012070     -3.150668     -0.837817
  H      -1.066447     -0.913308     -1.163102
  H      -0.962815      0.723309      0.723632
  H      -1.693257      0.039929      2.987250
  H      -2.798958     -1.959531      5.626252
  H      -6.161165     -7.830942      6.138031
  H      -8.500706     -7.331548      6.675025
  H      -9.565895     -5.206630      5.940144
  H      -8.251797     -3.552631      4.586296
  H      -6.044729     -1.961644      4.482399
  H       0.421138     -6.062287      5.354900
  H       1.020234     -5.672944      7.695744
  H      -0.520788     -4.421517      9.212877
  H      -2.720309     -3.655258      8.366443
  H      -5.360779     -2.910814      6.150142
  N      -5.295035     -4.808718      2.338288
72
Coordinates from ORCA-job orca E -7297.739534105835
  N      -3.027072     -4.025645      1.561944
  C      -3.394235     -4.915310      0.456111
  C      -4.006780     -6.171911      1.036656
  N      -3.294934     -6.490914      2.296835
  C      -3.896811     -7.652892      3.007660
  C      -3.942440     -7.416387      4.517803
  N      -4.507256     -6.084928      4.709234
  Mo     -3.786843     -4.564619      3.476967
  N      -1.896700     -5.263997      4.169059
  C      -1.096898     -6.217933      3.412418
  C      -1.817969     -6.567246      2.126797
  H      -0.923765     -7.121778      4.024021
  H      -0.104765     -5.803325      3.162246
  H      -1.542664     -7.575997      1.778828
  H      -1.539618     -5.848062      1.357105
  H      -4.559253     -8.189870      4.992201
  H      -2.945312     -7.468357      4.978041
  H      -4.940243     -7.724462      2.667987
  H      -3.372511     -8.578879      2.720819
  H      -2.482283     -5.156542     -0.124527
  H      -4.094919     -4.441542     -0.251045
  H      -4.293518     -6.993546      0.365102
  H      -5.130548     -5.961096      1.605624
  C      -2.370112     -2.884705      1.308309
  C      -1.906717     -2.475733      0.023949
  C      -1.381667     -1.211628     -0.152802
  C      -1.303532     -0.289873      0.918337
  C      -1.699234     -0.675290      2.180107
  C      -2.172286     -1.989154      2.414471
  N      -2.584339     -2.444096      3.641671
  C      -2.163329     -1.877204      4.751404
  C      -0.888749     -1.230528      5.038303
  O      -0.682707     -0.477133      5.955689
  Cl      0.528619     -1.865174      4.063351
  C      -5.832391     -5.968186      5.057828
  C      -6.605507     -6.899974      5.784211
  C      -7.929150     -6.607824      6.094601
  C      -8.531160     -5.409528      5.673329
  C      -7.810607     -4.488634      4.921132
  C      -6.475170     -4.767001      4.621456
  N      -5.674851     -3.953418      3.799119
  C      -5.858026     -2.577443      3.581916
  C      -5.879814     -1.980471      2.315221
  O      -5.934156     -2.384500      1.175140
  Cl     -5.751758     -0.093185      2.564217
  C      -1.541116     -5.124254      5.488505
  C      -0.305039     -5.579161      6.008291
  C       0.042892     -5.340207      7.332339
  C      -0.823672     -4.644826      8.187909
  C      -2.060464     -4.228877      7.720168
  C      -2.450355     -4.491410      6.395687
  N      -3.634412     -3.991243      5.862369
  C      -4.689686     -3.658456      6.572757
  C      -5.115767     -4.305213      7.813446
  O      -4.702267     -5.290336      8.359349
  Cl     -6.588751     -3.427969      8.484491
  H      -2.005733     -3.143161     -0.830679
  H      -1.068409     -0.901872     -1.151906
  H      -0.974149      0.733401      0.737222
  H      -1.703656      0.045208      2.998560
  H      -2.787685     -1.968078      5.637849
  H      -6.161274     -7.821780      6.158594
  H      -8.502287     -7.316447      6.694578
  H      -9.567447     -5.199015      5.940668
  H      -8.253212     -3.555113      4.571134
  H      -5.940828     -1.952729      4.467609
  H       0.416359     -6.064349      5.354291
  H       1.020858     -5.662560      7.693937
  H      -0.518332     -4.405731      9.207074
  H      -2.722881     -3.647721      8.360834
  H      -5.373189     -2.924618      6.156178
  N      -5.293306     -4.814516      2.341158
72
Coordinates from ORCA-job orca E -7297.739866247382
  N      -3.026713     -4.023924      1.563267
  C      -3.396238     -4.914127      0.458188
  C      -4.008371     -6.173679      1.036344
  N      -3.295097     -6.491922      2.295723
  C      -3.890153     -7.655045      3.008652
  C      -3.945571     -7.417389      4.519427
  N      -4.509672     -6.084625      4.710474
  Mo     -3.790872     -4.566016      3.480047
  N      -1.904127     -5.267686      4.171386
  C      -1.098771     -6.214178      3.412910
  C      -1.818386     -6.565550      2.126150
  H      -0.916641     -7.118179      4.021620
  H      -0.111024     -5.788454      3.163136
  H      -1.542739     -7.575554      1.781903
  H      -1.538001     -5.849096      1.354807
  H      -4.572630     -8.188466      4.984009
  H      -2.952854     -7.477589      4.989272
  H      -4.930206     -7.743682      2.662704
  H      -3.353462     -8.576064      2.728889
  H      -2.486523     -5.153680     -0.126234
  H      -4.099898     -4.439094     -0.245370
  H      -4.296607     -6.993033      0.362856
  H      -5.134148     -5.964942      1.607625
  C      -2.371685     -2.882580      1.311451
  C      -1.911542     -2.471369      0.026118
  C      -1.390429     -1.205819     -0.151343
  C      -1.311612     -0.284514      0.920327
  C      -1.701095     -0.672656      2.183080
  C      -2.169732     -1.988033      2.418681
  N      -2.573297     -2.443622      3.648283
  C      -2.144529     -1.878976      4.755330
  C      -0.866916     -1.234050      5.037559
  O      -0.657108     -0.482019      5.955033
  Cl      0.543545     -1.858341      4.045809
  C      -5.837070     -5.970418      5.056426
  C      -6.609434     -6.899423      5.786123
  C      -7.934645     -6.605460      6.091580
  C      -8.535755     -5.409578      5.663648
  C      -7.814858     -4.490393      4.908657
  C      -6.479937     -4.771110      4.612838
  N      -5.674491     -3.963097      3.789457
  C      -5.809590     -2.577952      3.582462
  C      -5.891080     -1.984562      2.316645
  O      -6.033010     -2.397647      1.187095
  Cl     -5.709617     -0.101560      2.541511
  C      -1.548938     -5.125172      5.491232
  C      -0.312554     -5.577692      6.010477
  C       0.037079     -5.333083      7.333804
  C      -0.828358     -4.633837      8.186512
  C      -2.066297     -4.220062      7.718493
  C      -2.457662     -4.489589      6.396311
  N      -3.644408     -3.992088      5.863041
  C      -4.698937     -3.664434      6.575820
  C      -5.122710     -4.320290      7.813375
  O      -4.697424     -5.299572      8.359865
  Cl     -6.595491     -3.448691      8.493447
  H      -2.010501     -3.138743     -0.828599
  H      -1.080921     -0.894650     -1.151216
  H      -0.986549      0.740143      0.739089
  H      -1.704466      0.047606      3.001796
  H      -2.762044     -1.972607      5.646492
  H      -6.164242     -7.817599      6.168117
  H      -8.508851     -7.310173      6.695118
  H      -9.572395     -5.198288      5.929267
  H      -8.255472     -3.556891      4.555823
  H      -5.814133     -1.948827      4.468740
  H       0.407889     -6.064971      5.357128
  H       1.015447     -5.653414      7.696058
  H      -0.521358     -4.389466      9.203970
  H      -2.728011     -3.635114      8.356300
  H      -5.389836     -2.937302      6.159200
  N      -5.294056     -4.816988      2.347049
72
Coordinates from ORCA-job orca E -7297.740367862332
  N      -3.029269     -4.019196      1.563336
  C      -3.401432     -4.911197      0.459394
  C      -4.010908     -6.175912      1.034657
  N      -3.297950     -6.489533      2.294590
  C      -3.886481     -7.653182      3.009183
  C      -3.944517     -7.413399      4.520526
  N      -4.510007     -6.080269      4.714256
  Mo     -3.801070     -4.561541      3.484438
  N      -1.917444     -5.265579      4.173766
  C      -1.105873     -6.205522      3.415409
  C      -1.821377     -6.558214      2.126029
  H      -0.917830     -7.110398      4.020941
  H      -0.121467     -5.769689      3.168965
  H      -1.543200     -7.569091      1.785944
  H      -1.539209     -5.844270      1.353021
  H      -4.579690     -8.182392      4.977557
  H      -2.954526     -7.481604      4.994807
  H      -4.924071     -7.757560      2.660595
  H      -3.339772     -8.570559      2.736617
  H      -2.490797     -5.147666     -0.124843
  H      -4.106649     -4.438039     -0.243922
  H      -4.299387     -6.994223      0.360454
  H      -5.139246     -5.969362      1.608561
  C      -2.371654     -2.880207      1.312894
  C      -1.917621     -2.468189      0.024768
  C      -1.395121     -1.203727     -0.155797
  C      -1.306763     -0.283324      0.915945
  C      -1.685784     -0.673419      2.181183
  C      -2.154209     -1.988444      2.420610
  N      -2.547047     -2.440767      3.654582
  C      -2.110120     -1.877952      4.758225
  C      -0.829634     -1.234546      5.037394
  O      -0.618230     -0.485591      5.957050
  Cl      0.576390     -1.852842      4.036737
  C      -5.842179     -5.974930      5.054546
  C      -6.612223     -6.905043      5.784069
  C      -7.940629     -6.614077      6.082493
  C      -8.543898     -5.421640      5.650423
  C      -7.824617     -4.499755      4.895863
  C      -6.489590     -4.778995      4.605567
  N      -5.680052     -3.975720      3.779311
  C      -5.747447     -2.581007      3.584683
  C      -5.941411     -1.988082      2.330489
  O      -6.208213     -2.411218      1.227691
  Cl     -5.645163     -0.119462      2.507030
  C      -1.562552     -5.119345      5.493739
  C      -0.326098     -5.569883      6.013505
  C       0.023965     -5.320521      7.336607
  C      -0.841346     -4.618848      8.186592
  C      -2.079657     -4.206383      7.717274
  C      -2.470293     -4.480961      6.396499
  N      -3.659055     -3.983668      5.864473
  C      -4.711329     -3.666810      6.584395
  C      -5.120480     -4.332915      7.822899
  O      -4.683607     -5.312011      8.359273
  Cl     -6.611214     -3.491901      8.503569
  H      -2.023548     -3.134873     -0.829678
  H      -1.092414     -0.892701     -1.157855
  H      -0.983262      0.741615      0.733288
  H      -1.681808      0.046336      3.000412
  H      -2.720984     -1.974412      5.654192
  H      -6.164549     -7.819065      6.173012
  H      -8.515144     -7.318711      6.685830
  H      -9.582136     -5.213970      5.912960
  H      -8.265419     -3.566463      4.542459
  H      -5.623894     -1.953409      4.462660
  H       0.394336     -6.058705      5.361558
  H       1.002331     -5.639385      7.700131
  H      -0.534272     -4.371045      9.203254
  H      -2.742280     -3.619239      8.352490
  H      -5.414424     -2.947629      6.174192
  N      -5.301266     -4.814717      2.353497
72
Coordinates from ORCA-job orca E -7297.753371629519
  N      -3.032032     -4.007753      1.565357
  C      -3.420731     -4.896746      0.471733
  C      -4.021657     -6.151717      1.064346
  N      -3.301716     -6.474164      2.310830
  C      -3.888362     -7.641380      3.025942
  C      -3.942971     -7.414942      4.534383
  N      -4.510381     -6.085592      4.726847
  Mo     -3.791065     -4.554288      3.498110
  N      -1.903864     -5.257282      4.178757
  C      -1.098721     -6.199667      3.420346
  C      -1.824722     -6.553057      2.135384
  H      -0.911148     -7.104410      4.026146
  H      -0.113582     -5.770198      3.166750
  H      -1.557364     -7.564955      1.791889
  H      -1.540261     -5.841495      1.361425
  H      -4.577302     -8.191920      4.982876
  H      -2.953518     -7.484815      5.012407
  H      -4.925428     -7.743319      2.676368
  H      -3.341711     -8.556195      2.747971
  H      -2.525694     -5.142459     -0.125937
  H      -4.134380     -4.422053     -0.222120
  H      -4.295506     -6.972401      0.385487
  H      -5.088755     -5.950487      1.619445
  C      -2.373918     -2.872960      1.308019
  C      -1.931868     -2.464079      0.016532
  C      -1.405071     -1.201983     -0.167076
  C      -1.303307     -0.284035      0.904306
  C      -1.673797     -0.674173      2.172476
  C      -2.145771     -1.985871      2.412746
  N      -2.535421     -2.441736      3.646706
  C      -2.092018     -1.890861      4.762214
  C      -0.812584     -1.259040      5.060616
  O      -0.595031     -0.523479      5.990226
  Cl      0.607635     -1.877153      4.073031
  C      -5.848090     -5.970102      5.058686
  C      -6.620870     -6.895498      5.792245
  C      -7.950821     -6.612808      6.083927
  C      -8.560970     -5.428030      5.640798
  C      -7.838117     -4.512734      4.882327
  C      -6.502001     -4.786477      4.599097
  N      -5.689780     -3.972768      3.768185
  C      -5.763169     -2.582854      3.571398
  C      -5.944530     -2.000234      2.308364
  O      -6.190495     -2.432144      1.205895
  Cl     -5.666548     -0.128323      2.486340
  C      -1.550698     -5.111964      5.486983
  C      -0.308861     -5.560315      6.010637
  C       0.039272     -5.314900      7.327421
  C      -0.829934     -4.616464      8.183780
  C      -2.064038     -4.209266      7.716290
  C      -2.460035     -4.481049      6.389230
  N      -3.640693     -3.994263      5.860881
  C      -4.710655     -3.682401      6.569866
  C      -5.137756     -4.347718      7.800158
  O      -4.706328     -5.328145      8.348744
  Cl     -6.643735     -3.519126      8.442695
  H      -2.050827     -3.131585     -0.835259
  H      -1.109653     -0.890605     -1.170585
  H      -0.976804      0.738918      0.719454
  H      -1.660915      0.042772      2.993214
  H      -2.705636     -1.993444      5.655418
  H      -6.165331     -7.803189      6.187696
  H      -8.522127     -7.316974      6.689934
  H      -9.600522     -5.222358      5.895998
  H      -8.279615     -3.583921      4.518262
  H      -5.653402     -1.951444      4.448421
  H       0.412220     -6.045400      5.356522
  H       1.018764     -5.632286      7.687854
  H      -0.524391     -4.370557      9.200568
  H      -2.724348     -3.627554      8.354939
  H      -5.417651     -2.971685      6.153493
  N      -5.296678     -4.763393      2.416847
72
Coordinates from ORCA-job orca E -7297.764722648759
  N      -3.039824     -3.999931      1.568158
  C      -3.442223     -4.890357      0.482600
  C      -4.034884     -6.143536      1.086762
  N      -3.304733     -6.464050      2.323336
  C      -3.883566     -7.635240      3.040119
  C      -3.938398     -7.418176      4.546156
  N      -4.507857     -6.091952      4.737649
  Mo     -3.782658     -4.546028      3.515163
  N      -1.891883     -5.249245      4.181285
  C      -1.089758     -6.188448      3.417867
  C      -1.827787     -6.543049      2.138145
  H      -0.897916     -7.093791      4.021275
  H      -0.106678     -5.759103      3.156895
  H      -1.563603     -7.554302      1.791217
  H      -1.547849     -5.831736      1.362465
  H      -4.572158     -8.200298      4.988783
  H      -2.949877     -7.488354      5.027637
  H      -4.920242     -7.739705      2.690929
  H      -3.332561     -8.546170      2.759622
  H      -2.554973     -5.140374     -0.121219
  H      -4.161098     -4.417914     -0.207118
  H      -4.284539     -6.968612      0.402158
  H      -5.043555     -5.947837      1.619263
  C      -2.379846     -2.869021      1.305012
  C      -1.950318     -2.462849      0.009153
  C      -1.415962     -1.204780     -0.179085
  C      -1.294719     -0.289431      0.891843
  C      -1.654293     -0.678804      2.163656
  C      -2.134682     -1.985718      2.406825
  N      -2.518141     -2.440375      3.643207
  C      -2.067866     -1.898087      4.765554
  C      -0.790026     -1.272260      5.074949
  O      -0.567839     -0.551254      6.015568
  Cl      0.637003     -1.882203      4.089416
  C      -5.850347     -5.968934      5.060437
  C      -6.625529     -6.890576      5.797048
  C      -7.957742     -6.615119      6.080591
  C      -8.573247     -5.437833      5.626608
  C      -7.847400     -4.526964      4.865087
  C      -6.510745     -4.795944      4.589842
  N      -5.695202     -3.971662      3.753190
  C      -5.767909     -2.581131      3.569701
  C      -5.959639     -1.997179      2.307964
  O      -6.209569     -2.431205      1.208504
  Cl     -5.689935     -0.125227      2.491712
  C      -1.544078     -5.107228      5.482600
  C      -0.298979     -5.554206      6.011181
  C       0.044955     -5.313725      7.324464
  C      -0.829014     -4.619418      8.185328
  C      -2.059380     -4.215660      7.717816
  C      -2.456986     -4.483727      6.385202
  N      -3.631669     -4.001112      5.860225
  C      -4.714087     -3.687096      6.557941
  C      -5.159257     -4.349701      7.782258
  O      -4.733980     -5.330710      8.341280
  Cl     -6.672570     -3.523031      8.394441
  H      -2.084919     -3.129855     -0.840520
  H      -1.129008     -0.894704     -1.185128
  H      -0.961796      0.730651      0.704491
  H      -1.626556      0.035384      2.985990
  H      -2.682310     -2.005415      5.657578
  H      -6.165027     -7.792728      6.200099
  H      -8.526976     -7.319218      6.688180
  H      -9.614577     -5.234364      5.874017
  H      -8.290548     -3.602554      4.491895
  H      -5.653003     -1.958300      4.451659
  H       0.424415     -6.034634      5.356040
  H       1.025049     -5.629881      7.683729
  H      -0.526297     -4.376076      9.203116
  H      -2.719415     -3.638567      8.358620
  H      -5.420229     -2.980787      6.133401
  N      -5.298974     -4.715524      2.469431
72
Coordinates from ORCA-job orca E -7297.770713681198
  N      -3.047418     -3.999381      1.568384
  C      -3.460534     -4.890836      0.489176
  C      -4.040531     -6.144182      1.104728
  N      -3.299803     -6.459244      2.334912
  C      -3.867346     -7.636823      3.054084
  C      -3.934756     -7.418961      4.557968
  N      -4.509443     -6.096360      4.739188
  Mo     -3.769121     -4.542096      3.522827
  N      -1.875403     -5.245489      4.181999
  C      -1.076623     -6.183346      3.413805
  C      -1.823221     -6.536236      2.138143
  H      -0.884412     -7.089799      4.015484
  H      -0.093631     -5.757225      3.148114
  H      -1.560526     -7.545342      1.784487
  H      -1.550438     -5.821312      1.363254
  H      -4.566536     -8.204710      4.998187
  H      -2.948687     -7.482660      5.046476
  H      -4.899737     -7.754501      2.696924
  H      -3.300951     -8.540042      2.780676
  H      -2.582070     -5.139800     -0.126031
  H      -4.190584     -4.420070     -0.189539
  H      -4.264036     -6.975995      0.417977
  H      -5.020024     -5.949343      1.622037
  C      -2.389268     -2.869277      1.298504
  C      -1.966357     -2.464773      0.000706
  C      -1.427288     -1.209050     -0.188562
  C      -1.296780     -0.295248      0.882698
  C      -1.654241     -0.682598      2.155782
  C      -2.141013     -1.986707      2.398598
  N      -2.528917     -2.441118      3.633646
  C      -2.077766     -1.903033      4.761684
  C      -0.797395     -1.292218      5.080015
  O      -0.568764     -0.578286      6.025112
  Cl      0.631285     -1.909597      4.098660
  C      -5.850190     -5.963363      5.059330
  C      -6.629798     -6.883201      5.795066
  C      -7.961405     -6.609100      6.077607
  C      -8.576572     -5.431866      5.622526
  C      -7.846097     -4.523031      4.863321
  C      -6.509062     -4.790627      4.589712
  N      -5.693805     -3.955186      3.753260
  C      -5.823324     -2.570043      3.572576
  C      -5.918178     -1.979716      2.303134
  O      -6.042659     -2.403412      1.178883
  Cl     -5.751298     -0.097973      2.536956
  C      -1.529736     -5.108006      5.479900
  C      -0.283839     -5.556609      6.011372
  C       0.054989     -5.325089      7.324781
  C      -0.823821     -4.637862      8.189745
  C      -2.051408     -4.233265      7.721461
  C      -2.446008     -4.490976      6.383287
  N      -3.615966     -4.010699      5.856975
  C      -4.706314     -3.689969      6.543887
  C      -5.162999     -4.338774      7.769937
  O      -4.744789     -5.316973      8.342686
  Cl     -6.680222     -3.506312      8.356386
  H      -2.109304     -3.130980     -0.848171
  H      -1.143257     -0.899119     -1.195330
  H      -0.958050      0.722597      0.694313
  H      -1.619813      0.029787      2.979190
  H      -2.699603     -2.003340      5.648988
  H      -6.169427     -7.786405      6.196313
  H      -8.530942     -7.314366      6.683441
  H      -9.618183     -5.226978      5.866445
  H      -8.289618     -3.599767      4.487883
  H      -5.826442     -1.955794      4.468024
  H       0.441958     -6.032038      5.354985
  H       1.034557     -5.642755      7.684024
  H      -0.525419     -4.401929      9.210341
  H      -2.712722     -3.663072      8.366051
  H      -5.406330     -2.984135      6.109500
  N      -5.300357     -4.690949      2.492372
72
Coordinates from ORCA-job orca E -7297.777914084353
  N      -3.059776     -3.994854      1.569442
  C      -3.493623     -4.884024      0.497692
  C      -4.053392     -6.142737      1.123880
  N      -3.296525     -6.449931      2.346107
  C      -3.844064     -7.637970      3.066639
  C      -3.929539     -7.419016      4.569084
  N      -4.515128     -6.102653      4.740668
  Mo     -3.762031     -4.535462      3.537769
  N      -1.868999     -5.244640      4.187299
  C      -1.069208     -6.174879      3.412064
  C      -1.820897     -6.520904      2.136318
  H      -0.873344     -7.085571      4.006127
  H      -0.088162     -5.744540      3.146459
  H      -1.558882     -7.527032      1.774243
  H      -1.554244     -5.800830      1.363938
  H      -4.563195     -8.209504      4.999363
  H      -2.948770     -7.479119      5.069191
  H      -4.867548     -7.785812      2.696240
  H      -3.249198     -8.526573      2.806862
  H      -2.629677     -5.127201     -0.138527
  H      -4.243298     -4.413835     -0.159430
  H      -4.241764     -6.980358      0.432965
  H      -5.008792     -5.951525      1.629388
  C      -2.400160     -2.868432      1.294441
  C      -1.991902     -2.462294     -0.007718
  C      -1.438893     -1.213151     -0.197597
  C      -1.280459     -0.306849      0.876737
  C      -1.626637     -0.694962      2.152541
  C      -2.130698     -1.992458      2.394953
  N      -2.519238     -2.443146      3.630098
  C      -2.056870     -1.914869      4.760854
  C      -0.769766     -1.325461      5.081373
  O      -0.523989     -0.633324      6.038900
  Cl      0.649570     -1.948665      4.086768
  C      -5.857205     -5.966540      5.051291
  C      -6.639362     -6.885475      5.786375
  C      -7.973009     -6.616296      6.062018
  C      -8.589574     -5.441718      5.603153
  C      -7.855270     -4.532091      4.847545
  C      -6.517989     -4.796723      4.580121
  N      -5.701323     -3.952598      3.739775
  C      -5.835644     -2.565022      3.579043
  C      -5.914536     -1.963820      2.313326
  O      -6.006930     -2.380969      1.183886
  Cl     -5.788958     -0.082806      2.569921
  C      -1.524764     -5.104041      5.481529
  C      -0.277151     -5.549035      6.017809
  C       0.058682     -5.312488      7.328951
  C      -0.823219     -4.622351      8.191539
  C      -2.049309     -4.221694      7.720564
  C      -2.443947     -4.485986      6.381548
  N      -3.615192     -4.018019      5.853453
  C      -4.712084     -3.696357      6.533716
  C      -5.172860     -4.336342      7.762277
  O      -4.753224     -5.308464      8.346430
  Cl     -6.696974     -3.508501      8.328737
  H      -2.156427     -3.122991     -0.856891
  H      -1.164076     -0.901599     -1.206295
  H      -0.929417      0.706690      0.688347
  H      -1.571010      0.011539      2.979675
  H      -2.678631     -2.010452      5.648853
  H      -6.176539     -7.786377      6.190233
  H      -8.542886     -7.323421      6.665200
  H      -9.632515     -5.238075      5.841333
  H      -8.299274     -3.609883      4.470128
  H      -5.862038     -1.965204      4.483151
  H       0.450202     -6.024677      5.363271
  H       1.038558     -5.626864      7.690052
  H      -0.526851     -4.381963      9.211493
  H      -2.710536     -3.650206      8.363326
  H      -5.414076     -2.998261      6.091955
  N      -5.313331     -4.655294      2.529289
72
Coordinates from ORCA-job orca E -7297.781881451745
  N      -3.066519     -3.996641      1.568064
  C      -3.508698     -4.886171      0.500694
  C      -4.052566     -6.148313      1.134490
  N      -3.287705     -6.446949      2.353823
  C      -3.821786     -7.642880      3.074935
  C      -3.925336     -7.418663      4.575485
  N      -4.520000     -6.107067      4.733999
  Mo     -3.749792     -4.533324      3.541711
  N      -1.856760     -5.245041      4.188527
  C      -1.057934     -6.172729      3.409503
  C      -1.812854     -6.513399      2.134296
  H      -0.863554     -7.085940      4.000322
  H      -0.076227     -5.744155      3.144171
  H      -1.550567     -7.516436      1.764348
  H      -1.552477     -5.787686      1.364758
  H      -4.556701     -8.212662      5.003217
  H      -2.948363     -7.469790      5.084286
  H      -4.837221     -7.811963      2.692294
  H      -3.205293     -8.520074      2.828135
  H      -2.653781     -5.123390     -0.149146
  H      -4.272444     -4.417602     -0.140838
  H      -4.210001     -6.992103      0.442972
  H      -4.998224     -5.957523      1.629157
  C      -2.410154     -2.869872      1.287770
  C      -2.008121     -2.462902     -0.015748
  C      -1.449457     -1.216421     -0.204567
  C      -1.281271     -0.313419      0.871535
  C      -1.626228     -0.700672      2.147785
  C      -2.138165     -1.995442      2.388198
  N      -2.533214     -2.445642      3.621032
  C      -2.068735     -1.921443      4.755217
  C      -0.776536     -1.351075      5.079803
  O      -0.520544     -0.666976      6.040884
  Cl      0.637300     -1.986108      4.082512
  C      -5.857929     -5.962932      5.046675
  C      -6.642617     -6.880064      5.782694
  C      -7.974412     -6.609262      6.062215
  C      -8.589173     -5.432297      5.606637
  C      -7.852016     -4.523784      4.852617
  C      -6.515572     -4.789620      4.582113
  N      -5.701289     -3.938419      3.739477
  C      -5.890091     -2.557625      3.580042
  C      -5.873749     -1.939051      2.321062
  O      -5.837996     -2.333353      1.180072
  Cl     -5.862170     -0.057312      2.620227
  C      -1.514391     -5.107429      5.481587
  C      -0.267779     -5.554184      6.021407
  C       0.062898     -5.321775      7.333477
  C      -0.822699     -4.633958      8.195843
  C      -2.046476     -4.231864      7.722016
  C      -2.436871     -4.491700      6.379976
  N      -3.605615     -4.027828      5.847390
  C      -4.706446     -3.697768      6.519431
  C      -5.174437     -4.322422      7.751951
  O      -4.760955     -5.290403      8.348528
  Cl     -6.697785     -3.484508      8.301650
  H      -2.181290     -3.120741     -0.865330
  H      -1.177172     -0.903476     -1.213430
  H      -0.923731      0.697852      0.683493
  H      -1.563666      0.003025      2.976664
  H      -2.696512     -2.006731      5.639732
  H      -6.180881     -7.783706      6.181691
  H      -8.544404     -7.317085      6.664417
  H      -9.631048     -5.225519      5.846157
  H      -8.295846     -3.600764      4.477237
  H      -6.031522     -1.976050      4.485393
  H       0.461566     -6.028016      5.367638
  H       1.041489     -5.637464      7.696836
  H      -0.530413     -4.397213      9.217714
  H      -2.709105     -3.663235      8.365557
  H      -5.401925     -2.999547      6.068920
  N      -5.315827     -4.640254      2.537865
72
Coordinates from ORCA-job orca E -7297.787203193505
  N      -3.075399     -3.997331      1.564524
  C      -3.528887     -4.885902      0.501907
  C      -4.050187     -6.156804      1.140009
  N      -3.277699     -6.442184      2.358420
  C      -3.792303     -7.648768      3.078566
  C      -3.920736     -7.417521      4.577279
  N      -4.530629     -6.113353      4.722009
  Mo     -3.743376     -4.529807      3.549243
  N      -1.854237     -5.247258      4.193340
  C      -1.051216     -6.167664      3.410944
  C      -1.803762     -6.499797      2.131533
  H      -0.856363     -7.085350      3.994722
  H      -0.070059     -5.734317      3.151767
  H      -1.538763     -7.499044      1.753581
  H      -1.547575     -5.767592      1.366314
  H      -4.551864     -8.216274      4.997065
  H      -2.950310     -7.460113      5.098966
  H      -4.793983     -7.852861      2.678295
  H      -3.144058     -8.508245      2.852206
  H      -2.685695     -5.111222     -0.166691
  H      -4.312290     -4.420030     -0.117228
  H      -4.163025     -7.005488      0.446125
  H      -4.993807     -5.971027      1.621709
  C      -2.421304     -2.871571      1.280150
  C      -2.033152     -2.460518     -0.026909
  C      -1.463440     -1.219533     -0.215337
  C      -1.271298     -0.324273      0.863995
  C      -1.606163     -0.713296      2.141989
  C      -2.132102     -2.002975      2.381517
  N      -2.528331     -2.450006      3.613703
  C      -2.054051     -1.933162      4.748374
  C      -0.753570     -1.387123      5.071759
  O      -0.480224     -0.718238      6.039176
  Cl      0.646033     -2.032923      4.058628
  C      -5.865706     -5.966526      5.034849
  C      -6.649600     -6.882122      5.774327
  C      -7.980403     -6.610838      6.057673
  C      -8.594429     -5.432339      5.606468
  C      -7.856592     -4.522878      4.853043
  C      -6.522435     -4.790588      4.578171
  N      -5.710119     -3.935605      3.727106
  C      -5.896257     -2.549638      3.599270
  C      -5.868847     -1.908557      2.351762
  O      -5.812356     -2.284741      1.205349
  Cl     -5.881196     -0.034008      2.682631
  C      -1.515187     -5.105718      5.485598
  C      -0.270373     -5.549875      6.033086
  C       0.053476     -5.310369      7.345249
  C      -0.836874     -4.617677      8.200052
  C      -2.058514     -4.218422      7.718929
  C      -2.442613     -4.486765      6.376616
  N      -3.613000     -4.036358      5.836809
  C      -4.716744     -3.705369      6.504628
  C      -5.180687     -4.318849      7.743754
  O      -4.760277     -5.276880      8.351276
  Cl     -6.711500     -3.488798      8.280558
  H      -2.225568     -3.111631     -0.877373
  H      -1.200206     -0.903471     -1.225557
  H      -0.904113      0.683588      0.676472
  H      -1.525896     -0.015365      2.974119
  H      -2.682802     -2.007874      5.633241
  H      -6.186783     -7.786745      6.169703
  H      -8.549545     -7.319569      6.659515
  H      -9.634879     -5.223205      5.849607
  H      -8.300392     -3.598104      4.482438
  H      -6.048545     -1.989620      4.515885
  H       0.461494     -6.026695      5.384386
  H       1.030339     -5.623662      7.715091
  H      -0.549550     -4.375503      9.221953
  H      -2.724163     -3.647150      8.357132
  H      -5.416159     -3.016760      6.046563
  N      -5.326966     -4.620694      2.549229
72
Coordinates from ORCA-job orca E -7297.791779007897
  N      -3.080021     -4.002023      1.563427
  C      -3.539846     -4.888117      0.502105
  C      -4.045665     -6.165156      1.141931
  N      -3.268778     -6.440444      2.362398
  C      -3.772091     -7.654968      3.079838
  C      -3.915797     -7.416915      4.576945
  N      -4.538260     -6.119565      4.708156
  Mo     -3.732149     -4.528506      3.554156
  N      -1.845850     -5.252965      4.196299
  C      -1.044314     -6.172764      3.411513
  C      -1.796051     -6.493969      2.129331
  H      -0.855448     -7.094420      3.991171
  H      -0.060397     -5.743288      3.157024
  H      -1.530195     -7.489162      1.741553
  H      -1.543660     -5.754050      1.369712
  H      -4.540372     -8.219943      4.998420
  H      -2.947879     -7.445887      5.103649
  H      -4.765361     -7.877120      2.669071
  H      -3.105893     -8.503524      2.865036
  H      -2.705667     -5.103896     -0.180959
  H      -4.337525     -4.422473     -0.098464
  H      -4.117143     -7.017151      0.447119
  H      -4.990327     -5.981401      1.609484
  C      -2.430614     -2.874787      1.275273
  C      -2.050522     -2.459837     -0.033250
  C      -1.473184     -1.222503     -0.219249
  C      -1.267464     -0.333073      0.863219
  C      -1.600236     -0.722577      2.141231
  C      -2.136832     -2.008850      2.377706
  N      -2.539657     -2.455044      3.607017
  C      -2.061924     -1.942890      4.743057
  C      -0.755206     -1.417497      5.065545
  O      -0.467927     -0.758066      6.035662
  Cl      0.631967     -2.079265      4.043549
  C      -5.867968     -5.967980      5.024717
  C      -6.651442     -6.883595      5.765934
  C      -7.980662     -6.612089      6.054627
  C      -8.594218     -5.431135      5.609012
  C      -7.856196     -4.520489      4.856927
  C      -6.522798     -4.788037      4.578113
  N      -5.715323     -3.926706      3.722694
  C      -5.944921     -2.545362      3.604028
  C      -5.842290     -1.877621      2.375685
  O      -5.684941     -2.222146      1.228158
  Cl     -5.949942     -0.011358      2.742987
  C      -1.508524     -5.111038      5.488989
  C      -0.266533     -5.556598      6.041680
  C       0.053111     -5.312083      7.354016
  C      -0.838373     -4.612396      8.202623
  C      -2.057948     -4.212312      7.716368
  C      -2.438743     -4.487618      6.374925
  N      -3.609920     -4.046520      5.828347
  C      -4.712164     -3.701243      6.491628
  C      -5.178418     -4.293986      7.738725
  O      -4.765273     -5.247819      8.357263
  Cl     -6.700680     -3.445062      8.268574
  H      -2.254515     -3.105197     -0.885260
  H      -1.213875     -0.903354     -1.229490
  H      -0.892257      0.672125      0.677181
  H      -1.510557     -0.028827      2.975848
  H      -2.694900     -2.005931      5.625709
  H      -6.188817     -7.791368      6.154023
  H      -8.548757     -7.322775      6.655174
  H      -9.633256     -5.219882      5.856136
  H      -8.300888     -3.594483      4.490915
  H      -6.184948     -2.011512      4.517237
  H       0.465656     -6.037952      5.396623
  H       1.027897     -5.625930      7.728848
  H      -0.553281     -4.365992      9.224114
  H      -2.724066     -3.636574      8.350368
  H      -5.404367     -3.012010      6.025335
  N      -5.332402     -4.602002      2.553805
72
Coordinates from ORCA-job orca E -7297.796727650826
  N      -3.081402     -4.010486      1.559589
  C      -3.545478     -4.893749      0.498534
  C      -4.036901     -6.178292      1.137177
  N      -3.259518     -6.440645      2.363511
  C      -3.752904     -7.662052      3.077895
  C      -3.911092     -7.414392      4.573232
  N      -4.547696     -6.124336      4.689510
  Mo     -3.722578     -4.527282      3.557492
  N      -1.841118     -5.259675      4.199785
  C      -1.040561     -6.181112      3.415703
  C      -1.787642     -6.490289      2.128292
  H      -0.860630     -7.106752      3.992069
  H      -0.052622     -5.756461      3.169190
  H      -1.520012     -7.481560      1.731677
  H      -1.536233     -5.742877      1.375079
  H      -4.528391     -8.221009      4.998384
  H      -2.945488     -7.428510      5.103771
  H      -4.737616     -7.902041      2.657341
  H      -3.070347     -8.500636      2.875467
  H      -2.719630     -5.098356     -0.198360
  H      -4.357042     -4.428448     -0.083656
  H      -4.061568     -7.032190      0.442284
  H      -4.990380     -5.998049      1.586685
  C      -2.437504     -2.881600      1.267569
  C      -2.065827     -2.463023     -0.042975
  C      -1.481068     -1.229571     -0.227711
  C      -1.261422     -0.345192      0.857165
  C      -1.591322     -0.734441      2.135503
  C      -2.137995     -2.017390      2.370499
  N      -2.545894     -2.461207      3.597703
  C      -2.064259     -1.950903      4.733173
  C      -0.751122     -1.444829      5.051907
  O      -0.449783     -0.791148      6.021835
  Cl      0.621801     -2.123081      4.018962
  C      -5.872410     -5.971506      5.009922
  C      -6.653023     -6.888133      5.753954
  C      -7.980571     -6.616575      6.050082
  C      -8.594190     -5.432936      5.612334
  C      -7.857943     -4.519799      4.860727
  C      -6.526178     -4.787819      4.574974
  N      -5.724429     -3.920510      3.714218
  C      -5.975360     -2.538125      3.628498
  C      -5.824141     -1.829682      2.429504
  O      -5.599688     -2.131921      1.280651
  Cl     -5.998737      0.020799      2.847312
  C      -1.505988     -5.113066      5.493618
  C      -0.268702     -5.559144      6.054277
  C       0.044525     -5.304901      7.367229
  C      -0.849255     -4.595393      8.205213
  C      -2.066441     -4.195738      7.710593
  C      -2.440169     -4.481853      6.370729
  N      -3.613405     -4.054440      5.814422
  C      -4.713869     -3.701360      6.475529
  C      -5.174271     -4.276541      7.731768
  O      -4.757850     -5.220999      8.361046
  Cl     -6.696997     -3.424521      8.255787
  H      -2.281769     -3.102765     -0.896168
  H      -1.226477     -0.907772     -1.238352
  H      -0.878937      0.657444      0.671672
  H      -1.492096     -0.044030      2.971828
  H      -2.700492     -1.999567      5.614308
  H      -6.189597     -7.798730      6.134058
  H      -8.546704     -7.329483      6.649953
  H      -9.631301     -5.219909      5.866133
  H      -8.303996     -3.592114      4.501307
  H      -6.268197     -2.040729      4.546249
  H       0.464030     -6.048522      5.415852
  H       1.016019     -5.618707      7.750609
  H      -0.567808     -4.341585      9.225951
  H      -2.735170     -3.613739      8.336931
  H      -5.406125     -3.018599      6.000247
  N      -5.338832     -4.582395      2.554013
72
Coordinates from ORCA-job orca E -7297.800933223043
  N      -3.077791     -4.021074      1.559426
  C      -3.543918     -4.898809      0.495292
  C      -4.030267     -6.189176      1.128863
  N      -3.255343     -6.443071      2.363048
  C      -3.747037     -7.668148      3.073015
  C      -3.908005     -7.413402      4.567468
  N      -4.553959     -6.128688      4.672076
  Mo     -3.711330     -4.527500      3.561630
  N      -1.834498     -5.270142      4.202428
  C      -1.039937     -6.198385      3.419463
  C      -1.784230     -6.494055      2.127933
  H      -0.873277     -7.127450      3.994554
  H      -0.045966     -5.784540      3.179262
  H      -1.516988     -7.481998      1.722561
  H      -1.531612     -5.739610      1.381559
  H      -4.515163     -8.221960      5.002712
  H      -2.941079     -7.412644      5.094614
  H      -4.730583     -7.909431      2.650685
  H      -3.061951     -8.505247      2.872324
  H      -2.723452     -5.095289     -0.211011
  H      -4.363150     -4.430009     -0.073540
  H      -4.013832     -7.042626      0.433826
  H      -4.994009     -6.011827      1.557605
  C      -2.440141     -2.889164      1.265307
  C      -2.071656     -2.467232     -0.045789
  C      -1.482718     -1.235897     -0.227889
  C      -1.257749     -0.354580      0.859335
  C      -1.589924     -0.743104      2.136850
  C      -2.142817     -2.024539      2.369135
  N      -2.557161     -2.467973      3.593349
  C      -2.075945     -1.956755      4.728514
  C      -0.758955     -1.462716      5.043414
  O      -0.448119     -0.809340      6.010556
  Cl      0.603129     -2.155936      4.003820
  C      -5.873665     -5.974786      4.997393
  C      -6.651058     -6.893640      5.743274
  C      -7.977738     -6.623846      6.044695
  C      -8.592891     -5.439184      5.612109
  C      -7.859237     -4.522959      4.861240
  C      -6.527163     -4.788133      4.572414
  N      -5.731980     -3.914170      3.708448
  C      -6.020443     -2.535711      3.640158
  C      -5.807790     -1.789106      2.475864
  O      -5.498236     -2.047665      1.335445
  Cl     -6.065799      0.043728      2.931603
  C      -1.499437     -5.119445      5.497712
  C      -0.266780     -5.567494      6.063502
  C       0.044263     -5.301401      7.375883
  C      -0.847287     -4.577728      8.203452
  C      -2.063065     -4.177303      7.703130
  C      -2.434856     -4.478024      6.367656
  N      -3.611359     -4.062651      5.803654
  C      -4.705917     -3.693402      6.464331
  C      -5.164681     -4.248551      7.728841
  O      -4.754777     -5.189500      8.366011
  Cl     -6.675412     -3.374746      8.254124
  H      -2.292704     -3.102652     -0.900820
  H      -1.228918     -0.911793     -1.238075
  H      -0.870250      0.646501      0.675189
  H      -1.487572     -0.054424      2.974284
  H      -2.716403     -1.992892      5.607106
  H      -6.186786     -7.806660      6.116036
  H      -8.541677     -7.339392      6.643653
  H      -9.629062     -5.226359      5.870307
  H      -8.308238     -3.595428      4.505721
  H      -6.387332     -2.074673      4.549866
  H       0.463767     -6.067448      5.430659
  H       1.012893     -5.615988      7.765976
  H      -0.565190     -4.313799      9.221548
  H      -2.731053     -3.585063      8.321459
  H      -5.391753     -3.010244      5.980960
  N      -5.342767     -4.558604      2.554061
72
Coordinates from ORCA-job orca E -7297.804808177072
  N      -3.073738     -4.032281      1.556354
  C      -3.536515     -4.905655      0.487581
  C      -4.017652     -6.205372      1.110845
  N      -3.253462     -6.447289      2.358206
  C      -3.744670     -7.674455      3.063802
  C      -3.911855     -7.410298      4.557376
  N      -4.566286     -6.129455      4.651145
  Mo     -3.707997     -4.527040      3.564894
  N      -1.838354     -5.279367      4.205955
  C      -1.046188     -6.214007      3.427716
  C      -1.782235     -6.499009      2.129388
  H      -0.891907     -7.145555      4.002443
  H      -0.046928     -5.807383      3.197165
  H      -1.513213     -7.485014      1.719889
  H      -1.524323     -5.740246      1.388685
  H      -4.513774     -8.218777      4.999054
  H      -2.945530     -7.399540      5.084019
  H      -4.724803     -7.921674      2.637214
  H      -3.055123     -8.509714      2.869672
  H      -2.717900     -5.090612     -0.224920
  H      -4.362153     -4.435579     -0.071438
  H      -3.954788     -7.056700      0.416562
  H      -5.000986     -6.035937      1.510437
  C      -2.441215     -2.898029      1.261623
  C      -2.075624     -2.472990     -0.050632
  C      -1.482660     -1.243930     -0.231541
  C      -1.251024     -0.365167      0.857334
  C      -1.582457     -0.753559      2.134556
  C      -2.140820     -2.033629      2.366057
  N      -2.556318     -2.475347      3.589063
  C      -2.071912     -1.960989      4.720808
  C      -0.750583     -1.475547      5.027125
  O      -0.429595     -0.823231      5.991641
  Cl      0.598501     -2.179006      3.975102
  C      -5.882267     -5.979276      4.982500
  C      -6.653517     -6.901415      5.731200
  C      -7.979499     -6.633194      6.039305
  C      -8.596388     -5.447357      5.614291
  C      -7.867329     -4.525919      4.864071
  C      -6.536071     -4.789231      4.569868
  N      -5.745678     -3.910397      3.702346
  C      -6.019504     -2.523399      3.680972
  C      -5.802996     -1.747232      2.538157
  O      -5.492439     -1.981586      1.392258
  Cl     -6.054031      0.073540      3.034401
  C      -1.501886     -5.116312      5.502210
  C      -0.273399     -5.560576      6.074451
  C       0.034275     -5.275503      7.385931
  C      -0.857564     -4.537828      8.198977
  C      -2.073564     -4.142221      7.690797
  C      -2.439694     -4.463070      6.361144
  N      -3.623141     -4.068339      5.788404
  C      -4.713630     -3.702313      6.455421
  C      -5.153396     -4.251763      7.728482
  O      -4.726632     -5.181735      8.368070
  Cl     -6.671954     -3.393315      8.261773
  H      -2.302144     -3.104343     -0.907221
  H      -1.230899     -0.918081     -1.241835
  H      -0.859902      0.634796      0.673761
  H      -1.475333     -0.066229      2.972643
  H      -2.712426     -1.985156      5.599922
  H      -6.187336     -7.815944      6.097292
  H      -8.540692     -7.351386      6.637898
  H      -9.631248     -5.235492      5.879309
  H      -8.319344     -3.597409      4.515694
  H      -6.378359     -2.087910      4.605515
  H       0.456062     -6.072523      5.449969
  H       1.000403     -5.586460      7.785245
  H      -0.576030     -4.259101      9.213472
  H      -2.744296     -3.539912      8.297750
  H      -5.410292     -3.032031      5.968436
  N      -5.351563     -4.538950      2.545199
72
Coordinates from ORCA-job orca E -7297.807519590568
  N      -3.062866     -4.047737      1.557920
  C      -3.523534     -4.914844      0.483325
  C      -4.011043     -6.217083      1.098730
  N      -3.255892     -6.454759      2.357072
  C      -3.757146     -7.679685      3.058996
  C      -3.913798     -7.409601      4.552682
  N      -4.569648     -6.129826      4.637742
  Mo     -3.697401     -4.529492      3.567841
  N      -1.831509     -5.291304      4.207119
  C      -1.050174     -6.239827      3.433382
  C      -1.784643     -6.515136      2.133027
  H      -0.912562     -7.171738      4.011977
  H      -0.043522     -5.850225      3.205930
  H      -1.518528     -7.500176      1.718926
  H      -1.521641     -5.752947      1.397185
  H      -4.505444     -8.216298      5.010017
  H      -2.942983     -7.387188      5.069289
  H      -4.744703     -7.909118      2.639384
  H      -3.081762     -8.524698      2.856259
  H      -2.705499     -5.097285     -0.231487
  H      -4.348394     -4.438486     -0.071752
  H      -3.917955     -7.067083      0.406618
  H      -5.007994     -6.049994      1.472421
  C      -2.437211     -2.909276      1.262189
  C      -2.068754     -2.482833     -0.049427
  C      -1.478216     -1.252582     -0.228002
  C      -1.254005     -0.372014      0.861671
  C      -1.592330     -0.758409      2.137342
  C      -2.148573     -2.040363      2.366840
  N      -2.570055     -2.483114      3.587038
  C      -2.091506     -1.961344      4.717534
  C      -0.769921     -1.476341      5.020052
  O      -0.447151     -0.814748      5.977404
  Cl      0.575917     -2.193074      3.970628
  C      -5.882978     -5.980239      4.970416
  C      -6.652383     -6.905502      5.718243
  C      -7.978961     -6.640262      6.026509
  C      -8.597542     -5.454773      5.602794
  C      -7.870262     -4.530339      4.854448
  C      -6.536938     -4.789108      4.562173
  N      -5.751227     -3.901622      3.698406
  C      -6.064358     -2.520243      3.692003
  C      -5.783437     -1.702701      2.594986
  O      -5.388276     -1.887458      1.465346
  Cl     -6.111236      0.096481      3.130881
  C      -1.491045     -5.120002      5.503928
  C      -0.265879     -5.564577      6.078399
  C       0.043190     -5.265316      7.388028
  C      -0.844445     -4.513740      8.191587
  C      -2.061009     -4.119008      7.680597
  C      -2.427899     -4.454994      6.356960
  N      -3.616567     -4.073003      5.779582
  C      -4.700042     -3.697505      6.451474
  C      -5.131664     -4.235277      7.730795
  O      -4.705792     -5.163380      8.372127
  Cl     -6.641895     -3.364812      8.273493
  H      -2.290510     -3.113549     -0.907710
  H      -1.223206     -0.925979     -1.237377
  H      -0.863782      0.628594      0.678819
  H      -1.491761     -0.069149      2.974754
  H      -2.736959     -1.974568      5.593024
  H      -6.185951     -7.821229      6.080517
  H      -8.539131     -7.360742      6.623571
  H      -9.632814     -5.244618      5.868302
  H      -8.325098     -3.603001      4.506906
  H      -6.499021     -2.122603      4.600780
  H       0.459723     -6.088167      5.458881
  H       1.007571     -5.575751      7.792218
  H      -0.559222     -4.223447      9.201979
  H      -2.730240     -3.506393      8.279972
  H      -5.394749     -3.027911      5.961307
  N      -5.351547     -4.512431      2.546272
72
Coordinates from ORCA-job orca E -7297.809929285462
  N      -3.051667     -4.063813      1.558604
  C      -3.503883     -4.926538      0.475903
  C      -3.997458     -6.235485      1.077741
  N      -3.261604     -6.465035      2.352320
  C      -3.773751     -7.686065      3.050370
  C      -3.923736     -7.408191      4.544001
  N      -4.578358     -6.126676      4.621550
  Mo     -3.693227     -4.531646      3.571336
  N      -1.834089     -5.304584      4.208757
  C      -1.060476     -6.265531      3.441959
  C      -1.789628     -6.534142      2.137983
  H      -0.937725     -7.196735      4.025160
  H      -0.047529     -5.889249      3.219795
  H      -1.525003     -7.519840      1.723846
  H      -1.518076     -5.771513      1.405338
  H      -4.511605     -8.210497      5.012294
  H      -2.950549     -7.380836      5.054311
  H      -4.766054     -7.902814      2.635025
  H      -3.109949     -8.539717      2.844317
  H      -2.681614     -5.102941     -0.236649
  H      -4.326119     -4.446689     -0.080332
  H      -3.867485     -7.083421      0.389512
  H      -5.016161     -6.075739      1.412763
  C      -2.431892     -2.921501      1.263838
  C      -2.059811     -2.493448     -0.047231
  C      -1.473275     -1.261314     -0.224332
  C      -1.257275     -0.378300      0.865614
  C      -1.599869     -0.764037      2.139964
  C      -2.151354     -2.048868      2.368765
  N      -2.574240     -2.491792      3.587925
  C      -2.098842     -1.959732      4.714463
  C      -0.776660     -1.471672      5.009599
  O      -0.452743     -0.801046      5.960048
  Cl      0.565367     -2.196181      3.958740
  C      -5.890307     -5.982160      4.957403
  C      -6.655813     -6.912455      5.703476
  C      -7.983705     -6.651138      6.011537
  C      -8.604457     -5.466294      5.590942
  C      -7.880033     -4.535660      4.846824
  C      -6.544845     -4.789152      4.556712
  N      -5.761123     -3.893279      3.698677
  C      -6.073505     -2.508308      3.728846
  C      -5.771808     -1.660097      2.662737
  O      -5.349297     -1.814665      1.537881
  Cl     -6.116847      0.123544      3.235258
  C      -1.487210     -5.118974      5.505227
  C      -0.263955     -5.558960      6.081030
  C       0.047718     -5.239154      7.387621
  C      -0.835690     -4.472196      8.178817
  C      -2.054590     -4.082193      7.664979
  C      -2.422534     -4.440361      6.350251
  N      -3.619284     -4.075799      5.768527
  C      -4.695444     -3.699954      6.450663
  C      -5.111118     -4.237116      7.734725
  O      -4.676319     -5.162325      8.372000
  Cl     -6.619383     -3.369067      8.295118
  H      -2.275366     -3.124035     -0.907224
  H      -1.215697     -0.934202     -1.233079
  H      -0.870559      0.623935      0.683151
  H      -1.506104     -0.072413      2.976366
  H      -2.746280     -1.961988      5.588704
  H      -6.188467     -7.828716      6.062586
  H      -8.542804     -7.374825      6.605996
  H      -9.640606     -5.259863      5.857003
  H      -8.338329     -3.608977      4.502636
  H      -6.527020     -2.139015      4.639702
  H       0.458012     -6.095155      5.467991
  H       1.011351     -5.545251      7.797146
  H      -0.545625     -4.165278      9.183144
  H      -2.722947     -3.457363      8.253997
  H      -5.396744     -3.036097      5.961045
  N      -5.354712     -4.486360      2.539549
72
Coordinates from ORCA-job orca E -7297.811515956889
  N      -3.035848     -4.081516      1.561383
  C      -3.478512     -4.938558      0.469582
  C      -3.984486     -6.250941      1.057537
  N      -3.270411     -6.478093      2.347689
  C      -3.800775     -7.691551      3.042535
  C      -3.936680     -7.410127      4.537063
  N      -4.583427     -6.123237      4.611180
  Mo     -3.687782     -4.537473      3.574932
  N      -1.833059     -5.318427      4.209056
  C      -1.069299     -6.293375      3.449182
  C      -1.797197     -6.560261      2.144579
  H      -0.958540     -7.221403      4.039922
  H      -0.051074     -5.931306      3.227185
  H      -1.536624     -7.548526      1.733501
  H      -1.516239     -5.800423      1.412358
  H      -4.522165     -8.206446      5.016844
  H      -2.959643     -7.382263      5.038680
  H      -4.802381     -7.882966      2.636536
  H      -3.159184     -8.559697      2.825613
  H      -2.649610     -5.113583     -0.236611
  H      -4.292794     -4.452750     -0.093339
  H      -3.828355     -7.097111      0.372615
  H      -5.022418     -6.100487      1.352595
  C      -2.422931     -2.934217      1.269086
  C      -2.043853     -2.504883     -0.040152
  C      -1.467807     -1.267560     -0.215406
  C      -1.270430     -0.379191      0.873967
  C      -1.620035     -0.764753      2.146256
  C      -2.158947     -2.055511      2.374202
  N      -2.582481     -2.501011      3.592421
  C      -2.113660     -1.955907      4.715114
  C      -0.793892     -1.456579      5.003920
  O      -0.474229     -0.772536      5.945863
  Cl      0.550950     -2.185477      3.957874
  C      -5.895544     -5.981160      4.947880
  C      -6.660055     -6.913718      5.692362
  C      -7.989279     -6.653821      5.997808
  C      -8.610375     -5.470093      5.575758
  C      -7.886424     -4.537086      4.833803
  C      -6.549153     -4.787434      4.548354
  N      -5.765987     -3.884991      3.697464
  C      -6.083456     -2.499434      3.752861
  C      -5.759131     -1.625677      2.715734
  O      -5.308560     -1.753624      1.597803
  Cl     -6.124977      0.144166      3.317384
  C      -1.478120     -5.118287      5.504134
  C      -0.255067     -5.552908      6.079232
  C       0.060390     -5.215737      7.382534
  C      -0.819353     -4.437760      8.165073
  C      -2.041333     -4.052888      7.650908
  C      -2.411276     -4.428100      6.343637
  N      -3.615706     -4.078266      5.760748
  C      -4.685192     -3.704007      6.453562
  C      -5.083235     -4.241949      7.741726
  O      -4.636898     -5.163547      8.374801
  Cl     -6.593016     -3.382029      8.318752
  H      -2.245085     -3.138199     -0.901681
  H      -1.205082     -0.940229     -1.222942
  H      -0.892841      0.626775      0.691967
  H      -1.541078     -0.068761      2.980700
  H      -2.763192     -1.951413      5.587732
  H      -6.193461     -7.829731      6.052574
  H      -8.548775     -7.377984      6.591596
  H      -9.647586     -5.265391      5.840016
  H      -8.346276     -3.611486      4.488798
  H      -6.564764     -2.154685      4.658910
  H       0.463409     -6.099349      5.470985
  H       1.024335     -5.517244      7.795038
  H      -0.524061     -4.117379      9.163889
  H      -2.709525     -3.419663      8.232480
  H      -5.394770     -3.047016      5.965209
  N      -5.353466     -4.458703      2.539911
72
Coordinates from ORCA-job orca E -7297.812642973449
  N      -3.020417     -4.098191      1.565356
  C      -3.449240     -4.952887      0.464448
  C      -3.964584     -6.270661      1.037625
  N      -3.279796     -6.493114      2.344195
  C      -3.826690     -7.697580      3.037997
  C      -3.955288     -7.411530      4.532936
  N      -4.590642     -6.116547      4.603792
  Mo     -3.685126     -4.544144      3.579042
  N      -1.835064     -5.332951      4.208722
  C      -1.077818     -6.317968      3.455433
  C      -1.805215     -6.588637      2.152247
  H      -0.972671     -7.241542      4.054134
  H      -0.056817     -5.964755      3.231157
  H      -1.549520     -7.581589      1.749019
  H      -1.514669     -5.835743      1.416585
  H      -4.546520     -8.199691      5.017657
  H      -2.977286     -7.390325      5.032337
  H      -4.833601     -7.872655      2.637041
  H      -3.201079     -8.576599      2.817354
  H      -2.610904     -5.124921     -0.232033
  H      -4.254776     -4.463795     -0.108061
  H      -3.781855     -7.116157      0.358057
  H      -5.023665     -6.135583      1.284490
  C      -2.414640     -2.945503      1.276757
  C      -2.026054     -2.514812     -0.029587
  C      -1.464591     -1.270319     -0.202872
  C      -1.291908     -0.375415      0.885313
  C      -1.648528     -0.762407      2.155116
  C      -2.169521     -2.060942      2.382141
  N      -2.591400     -2.509773      3.600366
  C      -2.128369     -1.949497      4.718056
  C      -0.811706     -1.436023      4.999566
  O      -0.498043     -0.740303      5.934692
  Cl      0.537840     -2.163667      3.957754
  C      -5.904701     -5.977867      4.940249
  C      -6.670037     -6.913113      5.679981
  C      -8.001319     -6.654284      5.980296
  C      -8.621414     -5.471216      5.556971
  C      -7.895597     -4.534697      4.820882
  C      -6.555979     -4.782170      4.542960
  N      -5.768642     -3.872697      3.705590
  C      -6.083505     -2.485955      3.780340
  C      -5.751487     -1.597991      2.758619
  O      -5.287403     -1.712965      1.644268
  Cl     -6.125373      0.164140      3.376026
  C      -1.469253     -5.119519      5.500902
  C      -0.243848     -5.548235      6.071063
  C       0.078503     -5.196701      7.370621
  C      -0.796039     -4.410077      8.148321
  C      -2.022031     -4.029339      7.637323
  C      -2.397636     -4.419731      6.337742
  N      -3.609003     -4.080004      5.756124
  C      -4.671162     -3.705797      6.460534
  C      -5.055993     -4.248500      7.749989
  O      -4.604958     -5.172121      8.375663
  Cl     -6.562170     -3.388398      8.345508
  H      -2.207827     -3.152369     -0.892387
  H      -1.195396     -0.942770     -1.208793
  H      -0.927725      0.635732      0.703938
  H      -1.588528     -0.061779      2.987419
  H      -2.778156     -1.939846      5.590458
  H      -6.205532     -7.829193      6.042317
  H      -8.562903     -7.379333      6.571256
  H      -9.660401     -5.268734      5.816849
  H      -8.355772     -3.609251      4.475756
  H      -6.583116     -2.156998      4.682328
  H       0.470863     -6.102017      5.464915
  H       1.044259     -5.493692      7.782460
  H      -0.493625     -4.078331      9.141496
  H      -2.688038     -3.388773      8.214176
  H      -5.385956     -3.051081      5.976043
  N      -5.350728     -4.435052      2.536224
72
Coordinates from ORCA-job orca E -7297.813364972582
  N      -3.002162     -4.114120      1.569215
  C      -3.417846     -4.966082      0.460329
  C      -3.945976     -6.285062      1.020787
  N      -3.289782     -6.509169      2.340408
  C      -3.858426     -7.702216      3.032970
  C      -3.973439     -7.417432      4.529133
  N      -4.594934     -6.113175      4.602681
  Mo     -3.683684     -4.555515      3.582341
  N      -1.834640     -5.345983      4.207590
  C      -1.083525     -6.340578      3.460986
  C      -1.813401     -6.620287      2.161350
  H      -0.979073     -7.258065      4.069095
  H      -0.061558     -5.993877      3.230203
  H      -1.565144     -7.619851      1.769757
  H      -1.512540     -5.878365      1.418789
  H      -4.570357     -8.198553      5.017234
  H      -2.993158     -7.405854      5.024347
  H      -4.873136     -7.851809      2.640524
  H      -3.256616     -8.595486      2.802319
  H      -2.569435     -5.139927     -0.223905
  H      -4.211087     -4.472755     -0.125494
  H      -3.749419     -7.130199      0.343565
  H      -5.018971     -6.170302      1.225823
  C      -2.404864     -2.955119      1.286018
  C      -2.005810     -2.522880     -0.016653
  C      -1.465278     -1.268600     -0.188633
  C      -1.325018     -0.365424      0.897015
  C      -1.688631     -0.754965      2.164154
  C      -2.184155     -2.063416      2.391308
  N      -2.602027     -2.517262      3.610365
  C      -2.146617     -1.941830      4.723624
  C      -0.836522     -1.406604      4.999716
  O      -0.534325     -0.695151      5.926463
  Cl      0.524377     -2.124093      3.964707
  C      -5.912433     -5.973452      4.935593
  C      -6.681670     -6.905873      5.673601
  C      -8.013974     -6.642985      5.968806
  C      -8.629698     -5.459924      5.540568
  C      -7.898978     -4.525988      4.805554
  C      -6.558907     -4.776932      4.533056
  N      -5.766191     -3.865825      3.704746
  C      -6.065032     -2.476714      3.798210
  C      -5.740906     -1.583160      2.778921
  O      -5.294452     -1.696421      1.656938
  Cl     -6.085516      0.177801      3.414452
  C      -1.459357     -5.119467      5.495978
  C      -0.230070     -5.540931      6.061491
  C       0.098114     -5.179065      7.357425
  C      -0.774244     -4.389723      8.134295
  C      -2.004140     -4.014809      7.627420
  C      -2.384148     -4.413937      6.332081
  N      -3.601163     -4.082974      5.754633
  C      -4.660450     -3.716219      6.468330
  C      -5.029597     -4.265684      7.758577
  O      -4.565220     -5.186119      8.379257
  Cl     -6.539945     -3.418921      8.369035
  H      -2.162416     -3.167057     -0.879606
  H      -1.188999     -0.940848     -1.192713
  H      -0.980206      0.652594      0.715663
  H      -1.653484     -0.048795      2.993317
  H      -2.795184     -1.934451      5.596866
  H      -6.221367     -7.821606      6.042116
  H      -8.579140     -7.364819      6.560480
  H      -9.669355     -5.254862      5.796374
  H      -8.355513     -3.599762      4.457145
  H      -6.557756     -2.152589      4.705916
  H       0.482563     -6.098438      5.456146
  H       1.066578     -5.470877      7.766912
  H      -0.466942     -4.050909      9.123733
  H      -2.670316     -3.372696      8.202948
  H      -5.386249     -3.070085      5.987489
  N      -5.344844     -4.414428      2.541374
72
Coordinates from ORCA-job orca E -7297.813894934590
  N      -2.983818     -4.128459      1.571960
  C      -3.386987     -4.982750      0.458435
  C      -3.920828     -6.303070      1.011840
  N      -3.295134     -6.525102      2.341638
  C      -3.879447     -7.707985      3.035386
  C      -3.991007     -7.420935      4.531016
  N      -4.599670     -6.108078      4.603908
  Mo     -3.680707     -4.566721      3.582738
  N      -1.831925     -5.359387      4.205590
  C      -1.084313     -6.360624      3.466057
  C      -1.817023     -6.652105      2.171916
  H      -0.977884     -7.272002      4.082940
  H      -0.062561     -6.017751      3.227759
  H      -1.579200     -7.659754      1.794877
  H      -1.506641     -5.924824      1.419084
  H      -4.599468     -8.194680      5.016415
  H      -3.011706     -7.421378      5.029034
  H      -4.895894     -7.847758      2.643306
  H      -3.288187     -8.608897      2.806444
  H      -2.530192     -5.157717     -0.214820
  H      -4.171373     -4.488552     -0.138163
  H      -3.710347     -7.150576      0.340086
  H      -5.005137     -6.213418      1.176083
  C      -2.397502     -2.962564      1.292878
  C      -1.986917     -2.529186     -0.005170
  C      -1.471016     -1.263937     -0.175981
  C      -1.367570     -0.352447      0.906408
  C      -1.738294     -0.745369      2.170716
  C      -2.205369     -2.064050      2.397450
  N      -2.621112     -2.522780      3.617197
  C      -2.172903     -1.932107      4.726637
  C      -0.870085     -1.375791      4.997344
  O      -0.577982     -0.657835      5.922360
  Cl      0.502283     -2.081927      3.969973
  C      -5.921301     -5.964950      4.930896
  C      -6.698402     -6.895100      5.661640
  C      -8.031379     -6.626536      5.951548
  C      -8.639548     -5.440139      5.523142
  C      -7.899616     -4.507822      4.794919
  C      -6.559731     -4.764439      4.527734
  N      -5.756901     -3.850116      3.715302
  C      -6.061276     -2.464757      3.809778
  C      -5.726417     -1.562850      2.801343
  O      -5.265770     -1.665002      1.683830
  Cl     -6.092214      0.192060      3.444792
  C      -1.445875     -5.124272      5.488849
  C      -0.211111     -5.541369      6.046895
  C       0.124423     -5.177628      7.340038
  C      -0.745050     -4.390111      8.122565
  C      -1.977971     -4.017165      7.622680
  C      -2.364568     -4.416472      6.328390
  N      -3.582629     -4.085872      5.756162
  C      -4.641129     -3.720614      6.473744
  C      -5.004941     -4.270982      7.764307
  O      -4.540399     -5.193282      8.383134
  Cl     -6.517594     -3.426326      8.377362
  H      -2.114833     -3.181272     -0.867053
  H      -1.186618     -0.935762     -1.177714
  H      -1.044974      0.672800      0.724800
  H      -1.730520     -0.034805      2.996974
  H      -2.818959     -1.928206      5.601634
  H      -6.244928     -7.813408      6.032596
  H      -8.602439     -7.346830      6.539527
  H      -9.679599     -5.230944      5.774106
  H      -8.349138     -3.577522      4.447534
  H      -6.579014     -2.149233      4.707139
  H       0.499702     -6.098123      5.438655
  H       1.096225     -5.467315      7.743313
  H      -0.432998     -4.051111      9.110518
  H      -2.642030     -3.376836      8.202405
  H      -5.369989     -3.076865      5.994367
  N      -5.332361     -4.397260      2.540069
72
Coordinates from ORCA-job orca E -7297.814178065888
  N      -2.978418     -4.130281      1.574355
  C      -3.379154     -4.984764      0.460267
  C      -3.911210     -6.305706      1.011432
  N      -3.296965     -6.529673      2.342790
  C      -3.885425     -7.710249      3.036201
  C      -4.001208     -7.425751      4.531690
  N      -4.604984     -6.110069      4.609109
  Mo     -3.684317     -4.573976      3.586081
  N      -1.834148     -5.366154      4.206569
  C      -1.083562     -6.364472      3.467841
  C      -1.817769     -6.662193      2.176049
  H      -0.970431     -7.274568      4.085328
  H      -0.064436     -6.015944      3.225969
  H      -1.586212     -7.674212      1.807129
  H      -1.503341     -5.943718      1.416539
  H      -4.619111     -8.198146      5.007944
  H      -3.024698     -7.435637      5.035458
  H      -4.899130     -7.853796      2.638671
  H      -3.291594     -8.610966      2.812805
  H      -2.520042     -5.159314     -0.209712
  H      -4.161715     -4.491517     -0.139343
  H      -3.695990     -7.152937      0.339520
  H      -4.996729     -6.237135      1.163622
  C      -2.396908     -2.961772      1.298805
  C      -1.984580     -2.526605      0.002213
  C      -1.480467     -1.256424     -0.168660
  C      -1.390543     -0.342662      0.912614
  C      -1.759917     -0.739170      2.176370
  C      -2.212820     -2.062494      2.403523
  N      -2.624825     -2.523297      3.624366
  C      -2.178331     -1.928562      4.732922
  C      -0.879391     -1.363383      5.004729
  O      -0.594272     -0.640765      5.928537
  Cl      0.500294     -2.053862      3.977197
  C      -5.929185     -5.963069      4.931285
  C      -6.711626     -6.890491      5.658127
  C      -8.045147     -6.617909      5.943518
  C      -8.648022     -5.429618      5.514053
  C      -7.901626     -4.499201      4.789264
  C      -6.562476     -4.760550      4.525976
  N      -5.750471     -3.848454      3.718946
  C      -6.028772     -2.459808      3.814391
  C      -5.729222     -1.574642      2.779357
  O      -5.316976     -1.700852      1.645988
  Cl     -6.034432      0.192449      3.416593
  C      -1.443551     -5.127535      5.486431
  C      -0.203833     -5.540056      6.039789
  C       0.137279     -5.174675      7.329888
  C      -0.730604     -4.388668      8.116998
  C      -1.965820     -4.019680      7.622558
  C      -2.358980     -4.421516      6.329620
  N      -3.576988     -4.090447      5.763136
  C      -4.636768     -3.726442      6.480478
  C      -5.003343     -4.279874      7.769250
  O      -4.541351     -5.204816      8.386966
  Cl     -6.512964     -3.431279      8.383195
  H      -2.101981     -3.182250     -0.858526
  H      -1.195274     -0.927369     -1.169837
  H      -1.079758      0.686134      0.730929
  H      -1.762329     -0.028095      3.002171
  H      -2.821695     -1.930363      5.609984
  H      -6.262281     -7.810406      6.030560
  H      -8.620435     -7.337193      6.528488
  H      -9.688350     -5.217421      5.760862
  H      -8.345941     -3.566523      4.441479
  H      -6.504017     -2.126830      4.728682
  H       0.506504     -6.094302      5.428810
  H       1.112463     -5.461074      7.727226
  H      -0.415335     -4.048080      9.103291
  H      -2.627291     -3.379951      8.205117
  H      -5.366608     -3.082532      6.003695
  N      -5.328232     -4.393390      2.543594
72
Coordinates from ORCA-job orca E -7297.814329896602
  N      -2.974208     -4.131724      1.573214
  C      -3.380411     -4.985597      0.461738
  C      -3.908377     -6.304670      1.017104
  N      -3.292096     -6.530449      2.346503
  C      -3.879673     -7.712808      3.039823
  C      -4.001149     -7.428371      4.534373
  N      -4.605654     -6.113828      4.611606
  Mo     -3.681923     -4.578417      3.584794
  N      -1.829415     -5.369188      4.207523
  C      -1.077474     -6.366252      3.469055
  C      -1.812392     -6.664941      2.177799
  H      -0.963420     -7.276810      4.085688
  H      -0.058965     -6.016411      3.226732
  H      -1.585144     -7.678284      1.810246
  H      -1.497807     -5.949292      1.415601
  H      -4.621450     -8.202259      5.005978
  H      -3.026423     -7.439038      5.041732
  H      -4.889873     -7.862346      2.636125
  H      -3.279780     -8.611001      2.822828
  H      -2.525116     -5.161379     -0.212334
  H      -4.166162     -4.492160     -0.133586
  H      -3.692339     -7.151931      0.344790
  H      -4.990753     -6.246028      1.173713
  C      -2.398774     -2.960776      1.296674
  C      -1.989934     -2.524358     -0.000263
  C      -1.492520     -1.251636     -0.171632
  C      -1.406520     -0.337414      0.909521
  C      -1.773271     -0.735516      2.173651
  C      -2.220065     -2.060785      2.400778
  N      -2.631623     -2.523102      3.621379
  C      -2.186608     -1.928000      4.731117
  C      -0.890602     -1.358225      5.004304
  O      -0.607272     -0.639851      5.932291
  Cl      0.492943     -2.041215      3.977519
  C      -5.930048     -5.960396      4.930213
  C      -6.717592     -6.885040      5.654627
  C      -8.049842     -6.607348      5.940543
  C      -8.647269     -5.415203      5.513745
  C      -7.895716     -4.487952      4.790059
  C      -6.558443     -4.755525      4.524753
  N      -5.741249     -3.845131      3.719161
  C      -6.025281     -2.459303      3.807836
  C      -5.717030     -1.573836      2.775437
  O      -5.297385     -1.697442      1.644610
  Cl     -6.035333      0.192308      3.411387
  C      -1.439123     -5.131059      5.486392
  C      -0.198445     -5.543884      6.040552
  C       0.141745     -5.183285      7.330993
  C      -0.728201     -4.401997      8.122286
  C      -1.962576     -4.033096      7.628553
  C      -2.354848     -4.427828      6.331803
  N      -3.568863     -4.093317      5.766387
  C      -4.633113     -3.729404      6.477466
  C      -5.003419     -4.276297      7.767658
  O      -4.540925     -5.197034      8.392360
  Cl     -6.519946     -3.432879      8.368026
  H      -2.104885     -3.181884     -0.859881
  H      -1.209460     -0.921433     -1.172977
  H      -1.101339      0.692927      0.727439
  H      -1.778761     -0.025089      2.999905
  H      -2.828937     -1.934240      5.608842
  H      -6.271920     -7.807872      6.024581
  H      -8.628090     -7.325597      6.523795
  H      -9.686304     -5.197909      5.761053
  H      -8.334803     -3.552041      4.444181
  H      -6.504250     -2.124253      4.719678
  H       0.513081     -6.095302      5.428409
  H       1.117344     -5.470460      7.726682
  H      -0.414907     -4.065939      9.110658
  H      -2.624633     -3.397623      8.214769
  H      -5.363009     -3.088440      5.997081
  N      -5.319759     -4.392789      2.545816
72
Coordinates from ORCA-job orca E -7297.814393591549
  N      -2.973827     -4.130950      1.573152
  C      -3.386221     -4.984286      0.463989
  C      -3.909409     -6.303955      1.021828
  N      -3.288056     -6.528147      2.349726
  C      -3.870724     -7.714158      3.043090
  C      -3.999902     -7.427996      4.536562
  N      -4.607831     -6.116146      4.611065
  Mo     -3.681432     -4.578342      3.585663
  N      -1.828745     -5.371014      4.209977
  C      -1.074567     -6.364932      3.469625
  C      -1.808676     -6.660350      2.177097
  H      -0.960817     -7.277665      4.083082
  H      -0.056278     -6.013028      3.229712
  H      -1.581564     -7.672625      1.806686
  H      -1.496324     -5.942639      1.415775
  H      -4.620340     -8.203654      5.005573
  H      -3.026930     -7.436254      5.047220
  H      -4.876919     -7.873309      2.633549
  H      -3.261833     -8.607859      2.833394
  H      -2.534989     -5.159254     -0.215256
  H      -4.176412     -4.491309     -0.125832
  H      -3.687935     -7.150174      0.350024
  H      -4.990666     -6.249418      1.182178
  C      -2.401904     -2.958798      1.294911
  C      -1.999280     -2.520856     -0.003579
  C      -1.501782     -1.248382     -0.175463
  C      -1.409899     -0.335738      0.906644
  C      -1.772002     -0.734777      2.171725
  C      -2.219895     -2.059739      2.398952
  N      -2.630467     -2.522133      3.619483
  C      -2.184157     -1.929432      4.730218
  C      -0.887809     -1.362014      5.004578
  O      -0.603126     -0.646884      5.934910
  Cl      0.494538     -2.041529      3.974387
  C      -5.931564     -5.960284      4.928474
  C      -6.720890     -6.884656      5.651544
  C      -8.052664     -6.605305      5.937625
  C      -8.648007     -5.411433      5.512680
  C      -7.894872     -4.484637      4.789932
  C      -6.558367     -4.754353      4.524036
  N      -5.737875     -3.844458      3.719388
  C      -6.021697     -2.458646      3.805317
  C      -5.716104     -1.576512      2.769253
  O      -5.299129     -1.704356      1.637947
  Cl     -6.031019      0.191625      3.400297
  C      -1.439238     -5.133914      5.488801
  C      -0.198872     -5.547713      6.043667
  C       0.141088     -5.188405      7.334168
  C      -0.728778     -4.407052      8.125952
  C      -1.962560     -4.037480      7.632009
  C      -2.355129     -4.431167      6.334722
  N      -3.567663     -4.094848      5.769391
  C      -4.633250     -3.729816      6.477584
  C      -5.008124     -4.275366      7.767298
  O      -4.547862     -5.196012      8.393928
  Cl     -6.524826     -3.430521      8.362597
  H      -2.119180     -3.177611     -0.863048
  H      -1.223121     -0.916987     -1.177604
  H      -1.104419      0.694472      0.724493
  H      -1.773597     -0.025693      2.999073
  H      -2.826270     -1.936468      5.608095
  H      -6.276449     -7.808999      6.019184
  H      -8.632075     -7.323766      6.519407
  H      -9.686503     -5.192324      5.760416
  H      -8.332268     -3.547387      4.445643
  H      -6.492305     -2.119640      4.719991
  H       0.512593     -6.099072      5.431398
  H       1.116503     -5.476422      7.729614
  H      -0.415759     -4.071643      9.114572
  H      -2.623815     -3.401688      8.218580
  H      -5.361363     -3.087755      5.996549
  N      -5.316180     -4.392916      2.543640
72
Coordinates from ORCA-job orca E -7297.814443588523
  N      -2.970764     -4.132819      1.574258
  C      -3.390336     -4.984387      0.466919
  C      -3.909378     -6.305751      1.025296
  N      -3.284644     -6.527244      2.353738
  C      -3.864343     -7.716179      3.046695
  C      -3.999877     -7.427266      4.539157
  N      -4.610568     -6.117495      4.609822
  Mo     -3.680237     -4.578580      3.587743
  N      -1.827266     -5.373834      4.213758
  C      -1.072449     -6.366431      3.471964
  C      -1.805693     -6.657600      2.177915
  H      -0.961003     -7.281113      4.082994
  H      -0.053532     -6.014788      3.234769
  H      -1.578176     -7.668332      1.803619
  H      -1.495406     -5.936730      1.418695
  H      -4.619151     -8.204003      5.008146
  H      -3.027907     -7.431997      5.051585
  H      -4.867684     -7.881224      2.632835
  H      -3.249574     -8.606992      2.842528
  H      -2.543479     -5.158315     -0.218096
  H      -4.184568     -4.490819     -0.116946
  H      -3.678371     -7.150152      0.354666
  H      -4.990820     -6.256836      1.184675
  C      -2.404881     -2.958258      1.293611
  C      -2.009903     -2.518528     -0.006810
  C      -1.513935     -1.245765     -0.179902
  C      -1.416494     -0.334212      0.902776
  C      -1.772967     -0.734021      2.169067
  C      -2.220523     -2.059101      2.397106
  N      -2.628817     -2.521743      3.617874
  C      -2.181149     -1.930216      4.728576
  C      -0.884906     -1.362504      5.001476
  O      -0.598618     -0.650424      5.933819
  Cl      0.495471     -2.039262      3.967475
  C      -5.934064     -5.959492      4.924416
  C      -6.726070     -6.883776      5.645182
  C      -8.057770     -6.602586      5.929497
  C      -8.650428     -5.407129      5.505251
  C      -7.894986     -4.480755      4.784295
  C      -6.558845     -4.752760      4.519815
  N      -5.733965     -3.842655      3.718580
  C      -6.017668     -2.456333      3.805608
  C      -5.713148     -1.574916      2.768938
  O      -5.299350     -1.704661      1.636511
  Cl     -6.025484      0.193836      3.398066
  C      -1.437750     -5.136239      5.492406
  C      -0.198086     -5.550892      6.048007
  C       0.141780     -5.191453      7.338518
  C      -0.727738     -4.409167      8.129833
  C      -1.961187     -4.039074      7.635454
  C      -2.353713     -4.432617      6.338183
  N      -3.565955     -4.095821      5.773125
  C      -4.631980     -3.732145      6.480790
  C      -5.007137     -4.278232      7.770366
  O      -4.545264     -5.198067      8.396951
  Cl     -6.526261     -3.437841      8.363979
  H      -2.134386     -3.174695     -0.866041
  H      -1.240885     -0.913030     -1.183128
  H      -1.111787      0.696119      0.720010
  H      -1.771104     -0.025759      2.997093
  H      -2.822144     -1.938537      5.607252
  H      -6.283559     -7.809592      6.011337
  H      -8.639173     -7.320988      6.509355
  H      -9.688686     -5.186095      5.752238
  H      -8.330262     -3.542233      4.440865
  H      -6.479839     -2.115876      4.723952
  H       0.512860     -6.103429      5.436181
  H       1.116804     -5.480195      7.734376
  H      -0.414611     -4.073586      9.118341
  H      -2.622271     -3.402684      8.221660
  H      -5.361015     -3.090982      6.000301
  N      -5.310710     -4.389691      2.541896
72
Coordinates from ORCA-job orca E -7297.814475674175
  N      -2.966477     -4.136361      1.576098
  C      -3.392191     -4.985980      0.469679
  C      -3.908002     -6.310041      1.026766
  N      -3.283485     -6.528480      2.357264
  C      -3.862570     -7.718550      3.049821
  C      -4.001942     -7.426773      4.541553
  N      -4.613307     -6.117518      4.608398
  Mo     -3.678883     -4.579470      3.590319
  N      -1.825391     -5.377021      4.217404
  C      -1.071853     -6.370504      3.475236
  C      -1.804761     -6.658484      2.180327
  H      -0.963470     -7.286063      4.085610
  H      -0.051798     -6.021236      3.239622
  H      -1.576915     -7.668079      1.803135
  H      -1.495194     -5.935086      1.423261
  H      -4.620314     -8.203144      5.012249
  H      -3.030353     -7.428906      5.054600
  H      -4.864712     -7.885316      2.633868
  H      -3.245704     -8.608428      2.848317
  H      -2.548939     -5.158622     -0.220273
  H      -4.189334     -4.491235     -0.109158
  H      -3.666340     -7.152691      0.357880
  H      -4.990827     -6.267956      1.180852
  C      -2.406767     -2.959178      1.293482
  C      -2.017958     -2.517966     -0.008391
  C      -1.525189     -1.244212     -0.182843
  C      -1.425413     -0.332783      0.899783
  C      -1.777125     -0.733265      2.167086
  C      -2.221742     -2.059241      2.396325
  N      -2.627238     -2.522443      3.617672
  C      -2.179455     -1.930660      4.727871
  C      -0.883624     -1.361222      4.999436
  O      -0.598009     -0.646937      5.930317
  Cl      0.496190     -2.034768      3.963109
  C      -5.937222     -5.958147      4.919255
  C      -6.732558     -6.882601      5.636541
  C      -8.064607     -6.599668      5.917438
  C      -8.654229     -5.402742      5.493177
  C      -7.895645     -4.476306      4.775569
  C      -6.559372     -4.750380      4.514327
  N      -5.730036     -3.839890      3.718078
  C      -6.013459     -2.452915      3.808369
  C      -5.709644     -1.570535      2.772777
  O      -5.297836     -1.700300      1.639356
  Cl     -6.014654      0.198146      3.404232
  C      -1.434732     -5.137248      5.495419
  C      -0.195270     -5.551599      6.051033
  C       0.145229     -5.190236      7.341115
  C      -0.723599     -4.406485      8.131478
  C      -1.957394     -4.036812      7.637162
  C      -2.350413     -4.432033      6.340855
  N      -3.563844     -4.096552      5.776725
  C      -4.629674     -3.736578      6.486078
  C      -5.001651     -4.285458      7.775483
  O      -4.534816     -5.203556      8.400769
  Cl     -6.522827     -3.451355      8.372369
  H      -2.144553     -3.173998     -0.867399
  H      -1.256930     -0.910350     -1.186994
  H      -1.123091      0.698106      0.716123
  H      -1.774287     -0.024993      2.995104
  H      -2.819788     -1.940198      5.606985
  H      -6.292586     -7.809832      6.002061
  H      -8.648754     -7.318017      6.494623
  H      -9.692744     -5.180263      5.737883
  H      -8.328436     -3.536539      4.432427
  H      -6.469420     -2.113232      4.730070
  H       0.514960     -6.105709      5.439796
  H       1.120202     -5.478750      7.737270
  H      -0.409625     -4.069492      9.119250
  H      -2.618600     -3.399583      8.222515
  H      -5.362129     -3.098412      6.006774
  N      -5.304664     -4.383823      2.540494
72
Coordinates from ORCA-job orca E -7297.814491022305
  N      -2.965035     -4.138745      1.577835
  C      -3.394703     -4.986963      0.471847
  C      -3.907726     -6.313454      1.027372
  N      -3.284828     -6.529946      2.359461
  C      -3.863774     -7.719929      3.052232
  C      -4.004146     -7.426286      4.543730
  N      -4.615123     -6.116533      4.608340
  Mo     -3.678834     -4.580021      3.592653
  N      -1.824275     -5.377967      4.219272
  C      -1.072619     -6.372870      3.477185
  C      -1.806087     -6.659805      2.182469
  H      -0.965674     -7.288302      4.088112
  H      -0.051867     -6.025765      3.241273
  H      -1.577813     -7.668829      1.803961
  H      -1.496693     -5.934994      1.426654
  H      -4.622366     -8.201642      5.016077
  H      -3.032596     -7.427534      5.056868
  H      -4.865970     -7.886791      2.636373
  H      -3.246821     -8.609724      2.850788
  H      -2.553980     -5.158200     -0.221646
  H      -4.193920     -4.491333     -0.103303
  H      -3.659716     -7.154917      0.359361
  H      -4.991844     -6.276537      1.177252
  C      -2.407445     -2.960736      1.294223
  C      -2.020813     -2.519340     -0.008205
  C      -1.528902     -1.245322     -0.183451
  C      -1.427817     -0.333783      0.898930
  C      -1.777747     -0.734229      2.166746
  C      -2.221722     -2.060289      2.396621
  N      -2.626357     -2.523121      3.618403
  C      -2.179178     -1.929830      4.727660
  C      -0.884463     -1.356313      4.997080
  O      -0.599661     -0.642220      5.928247
  Cl      0.495780     -2.030187      3.961893
  C      -5.940126     -5.957640      4.915452
  C      -6.738047     -6.882952      5.628848
  C      -8.070913     -6.599690      5.905708
  C      -8.658633     -5.401953      5.481160
  C      -7.897450     -4.474616      4.767466
  C      -6.560470     -4.749140      4.510206
  N      -5.728065     -3.837921      3.718861
  C      -6.009528     -2.450241      3.812735
  C      -5.707066     -1.567091      2.777721
  O      -5.300349     -1.697008      1.642276
  Cl     -6.008713      0.201365      3.410369
  C      -1.432090     -5.136267      5.496504
  C      -0.192075     -5.549491      6.051214
  C       0.149601     -5.186030      7.340648
  C      -0.718553     -4.401434      8.130612
  C      -1.953210     -4.032916      7.637137
  C      -2.347270     -4.430246      6.342040
  N      -3.562384     -4.096513      5.779359
  C      -4.627191     -3.739842      6.491765
  C      -4.994240     -4.291316      7.781478
  O      -4.523569     -5.209228      8.404019
  Cl     -6.517504     -3.463624      8.382562
  H      -2.148107     -3.175354     -0.867132
  H      -1.262353     -0.911282     -1.188015
  H      -1.126019      0.697174      0.714717
  H      -1.774263     -0.025680      2.994558
  H      -2.818673     -1.940775      5.607365
  H      -6.299838     -7.810963      5.994472
  H      -8.657394     -7.318500      6.479976
  H      -9.697901     -5.179512      5.722808
  H      -8.328494     -3.534053      4.424270
  H      -6.461642     -2.111634      4.736727
  H       0.517598     -6.104349      5.440006
  H       1.125007     -5.473574      7.736469
  H      -0.403386     -4.062855      9.117486
  H      -2.614598     -3.395261      8.221976
  H      -5.363358     -3.104606      6.014263
  N      -5.301787     -4.379481      2.540862
72
Coordinates from ORCA-job orca E -7297.814500463630
  N      -2.965030     -4.140290      1.578802
  C      -3.397499     -4.987562      0.473123
  C      -3.908310     -6.315726      1.027620
  N      -3.286820     -6.531298      2.360398
  C      -3.865740     -7.720732      3.053603
  C      -4.005448     -7.426045      4.545038
  N      -4.615917     -6.115619      4.608242
  Mo     -3.678968     -4.580422      3.593821
  N      -1.823164     -5.377567      4.219598
  C      -1.073486     -6.374055      3.477835
  C      -1.807932     -6.660992      2.183758
  H      -0.967156     -7.288901      4.089816
  H      -0.052285     -6.028979      3.240690
  H      -1.579206     -7.669701      1.804675
  H      -1.498676     -5.935350      1.428622
  H      -4.623435     -8.200417      5.019063
  H      -3.033712     -7.426764      5.057857
  H      -4.868633     -7.886752      2.638946
  H      -3.249707     -8.610840      2.850805
  H      -2.558791     -5.157691     -0.223088
  H      -4.198387     -4.491254     -0.099061
  H      -3.657685     -7.156513      0.359727
  H      -4.992822     -6.281969      1.175656
  C      -2.406912     -2.962610      1.294814
  C      -2.020318     -2.521751     -0.007717
  C      -1.528513     -1.247724     -0.183534
  C      -1.427857     -0.335605      0.898296
  C      -1.777849     -0.735540      2.166315
  C      -2.220969     -2.061711      2.396907
  N      -2.625852     -2.524056      3.619062
  C      -2.180511     -1.929587      4.728168
  C      -0.886512     -1.354291      4.998628
  O      -0.604625     -0.635108      5.926620
  Cl      0.495966     -2.028336      3.966545
  C      -5.941838     -5.957550      4.912988
  C      -6.741483     -6.883654      5.623315
  C      -8.074890     -6.600309      5.897602
  C      -8.661366     -5.401827      5.473412
  C      -7.898366     -4.473675      4.762785
  C      -6.560837     -4.748326      4.508008
  N      -5.727117     -3.836790      3.719520
  C      -6.008059     -2.448997      3.815745
  C      -5.704627     -1.564271      2.782520
  O      -5.296867     -1.692481      1.647161
  Cl     -6.001395      0.203477      3.419192
  C      -1.430073     -5.134408      5.496228
  C      -0.189329     -5.546204      6.050228
  C       0.153078     -5.181083      7.339100
  C      -0.714915     -4.396286      8.128916
  C      -1.950366     -4.029224      7.636194
  C      -2.345149     -4.428326      6.341959
  N      -3.561718     -4.096552      5.780474
  C      -4.626015     -3.742900      6.495151
  C      -4.989128     -4.296575      7.784949
  O      -4.514618     -5.213376      8.406140
  Cl     -6.512739     -3.472301      8.390618
  H      -2.147402     -3.177909     -0.866561
  H      -1.261979     -0.914056     -1.188230
  H      -1.126377      0.695348      0.713554
  H      -1.775061     -0.026228      2.993459
  H      -2.821083     -1.940602      5.607046
  H      -6.304538     -7.812315      5.988763
  H      -8.662994     -7.319653      6.469540
  H      -9.701208     -5.179715      5.712914
  H      -8.328126     -3.532445      4.419760
  H      -6.460893     -2.112326      4.740128
  H       0.520222     -6.101156      5.438967
  H       1.128982     -5.467417      7.734575
  H      -0.398972     -4.056380      9.115095
  H      -2.612097     -3.391538      8.220693
  H      -5.365431     -3.110625      6.018621
  N      -5.300250     -4.376541      2.541080
72
Coordinates from ORCA-job orca E -7297.814509137511
  N      -2.966757     -4.141137      1.579643
  C      -3.402278     -4.987307      0.474485
  C      -3.911110     -6.316162      1.029021
  N      -3.289396     -6.531579      2.361247
  C      -3.867374     -7.720643      3.055290
  C      -4.006046     -7.425278      4.546656
  N      -4.616876     -6.114648      4.608664
  Mo     -3.679912     -4.580395      3.594736
  N      -1.822340     -5.375242      4.218421
  C      -1.074143     -6.372699      3.476727
  C      -1.810385     -6.660544      2.183895
  H      -0.966974     -7.286748      4.089757
  H      -0.053090     -6.028615      3.237331
  H      -1.581283     -7.669104      1.804662
  H      -1.502152     -5.934567      1.428614
  H      -4.623631     -8.199163      5.021865
  H      -3.034213     -7.425171      5.059298
  H      -4.870908     -7.886675      2.642096
  H      -3.251778     -8.610755      2.851227
  H      -2.565830     -5.156758     -0.224472
  H      -4.204994     -4.490332     -0.094534
  H      -3.661181     -7.156607      0.360425
  H      -4.995330     -6.283652      1.177760
  C      -2.405573     -2.964952      1.295651
  C      -2.017446     -2.525228     -0.006733
  C      -1.523493     -1.252024     -0.182763
  C      -1.422396     -0.339596      0.898648
  C      -1.773876     -0.738548      2.166641
  C      -2.218656     -2.064001      2.397591
  N      -2.625562     -2.524987      3.619817
  C      -2.181967     -1.929444      4.728913
  C      -0.888583     -1.353058      5.000679
  O      -0.608472     -0.632622      5.928112
  Cl      0.496225     -2.032317      3.975126
  C      -5.943675     -5.958142      4.911556
  C      -6.744237     -6.885414      5.619078
  C      -8.078256     -6.602867      5.891276
  C      -8.664408     -5.404016      5.467674
  C      -7.900367     -4.474764      4.759697
  C      -6.562188     -4.748600      4.506954
  N      -5.727801     -3.836356      3.720759
  C      -6.007905     -2.448705      3.818670
  C      -5.701474     -1.562368      2.787696
  O      -5.291759     -1.688651      1.652868
  Cl     -6.000349      0.204315      3.426487
  C      -1.428434     -5.130750      5.494371
  C      -0.186450     -5.540434      6.047325
  C       0.156783     -5.173893      7.335488
  C      -0.711368     -4.389597      8.125708
  C      -1.947878     -4.024735      7.634216
  C      -2.343695     -4.425591      6.340761
  N      -3.561756     -4.096345      5.780828
  C      -4.625779     -3.745460      6.497431
  C      -4.985529     -4.300864      7.787299
  O      -4.508997     -5.217863      8.406645
  Cl     -6.510689     -3.480852      8.395376
  H      -2.144738     -3.181379     -0.865527
  H      -1.255510     -0.919264     -1.187358
  H      -1.119380      0.690845      0.713679
  H      -1.770959     -0.028579      2.993186
  H      -2.823918     -1.939769      5.606800
  H      -6.307847     -7.814467      5.984134
  H      -8.667305     -7.323162      6.461008
  H      -9.704850     -5.182878      5.705371
  H      -8.329562     -3.533181      4.416930
  H      -6.464284     -2.113927      4.742006
  H       0.523208     -6.094777      5.435648
  H       1.133509     -5.458512      7.730132
  H      -0.394660     -4.048337      9.111155
  H      -2.609873     -3.387433      8.218797
  H      -5.367974     -3.115674      6.021899
  N      -5.299651     -4.373951      2.540741
72
Coordinates from ORCA-job orca E -7297.814509796408
  N      -2.971368     -4.141707      1.581168
  C      -3.411473     -4.986485      0.477131
  C      -3.917774     -6.315355      1.033090
  N      -3.293256     -6.531123      2.363021
  C      -3.868399     -7.720037      3.058938
  C      -4.005459     -7.423616      4.550103
  N      -4.618439     -6.113585      4.610366
  Mo     -3.682186     -4.579922      3.596500
  N      -1.821933     -5.370877      4.215926
  C      -1.074936     -6.368630      3.473728
  C      -1.814207     -6.658512      2.183083
  H      -0.965180     -7.281601      4.087846
  H      -0.054725     -6.024523      3.230581
  H      -1.584813     -7.667105      1.804148
  H      -1.508367     -5.932718      1.426632
  H      -4.621944     -8.197629      5.026483
  H      -3.033584     -7.421431      5.062665
  H      -4.872561     -7.887778      2.647885
  H      -3.252281     -8.609550      2.853829
  H      -2.578407     -5.155512     -0.225708
  H      -4.216925     -4.488779     -0.087371
  H      -3.672138     -7.155578      0.362561
  H      -5.001124     -6.282832      1.186004
  C      -2.403490     -2.968793      1.297299
  C      -2.011743     -2.531535     -0.004770
  C      -1.511898     -1.260612     -0.180967
  C      -1.408483     -0.348013      0.899925
  C      -1.763561     -0.744754      2.167730
  C      -2.214144     -2.068042      2.399001
  N      -2.625481     -2.525943      3.621137
  C      -2.183447     -1.928916      4.729960
  C      -0.891067     -1.350305      5.001901
  O      -0.612298     -0.625943      5.926562
  Cl      0.494127     -2.024825      3.973537
  C      -5.946905     -5.960729      4.909086
  C      -6.748305     -6.890370      5.612098
  C      -8.083910     -6.610750      5.879671
  C      -8.670797     -5.412413      5.455705
  C      -7.905744     -4.481057      4.751673
  C      -6.566069     -4.751981      4.503289
  N      -5.730484     -3.836989      3.722114
  C      -6.009175     -2.449976      3.825212
  C      -5.697974     -1.558643      2.799729
  O      -5.284071     -1.678901      1.665962
  Cl     -6.002093      0.204643      3.445916
  C      -1.426973     -5.125477      5.491049
  C      -0.183087     -5.532530      6.042175
  C       0.161375     -5.165357      7.329541
  C      -0.707093     -4.382617      8.121289
  C      -1.944968     -4.020414      7.631878
  C      -2.342339     -4.422307      6.338937
  N      -3.561844     -4.095531      5.781280
  C      -4.625026     -3.745866      6.500035
  C      -4.980866     -4.301140      7.790816
  O      -4.501352     -5.216603      8.410238
  Cl     -6.502952     -3.479239      8.404527
  H      -2.140284     -3.187612     -0.863411
  H      -1.240530     -0.929900     -1.185306
  H      -1.100852      0.681008      0.714821
  H      -1.758964     -0.033932      2.993493
  H      -2.826749     -1.937576      5.606936
  H      -6.311779     -7.819202      5.977507
  H      -8.673851     -7.332996      6.445956
  H      -9.712570     -5.193837      5.689734
  H      -8.335126     -3.539716      4.408468
  H      -6.472193     -2.119956      4.746961
  H       0.526718     -6.085378      5.429305
  H       1.139324     -5.447963      7.722552
  H      -0.389416     -4.040411      9.106063
  H      -2.607116     -3.384192      8.217387
  H      -5.369491     -3.117746      6.025864
  N      -5.301294     -4.370728      2.542784
72
Coordinates from ORCA-job orca E -7297.814518943196
  N      -2.971071     -4.141738      1.581028
  C      -3.411920     -4.986468      0.477271
  C      -3.918120     -6.315201      1.033768
  N      -3.292477     -6.530827      2.363279
  C      -3.867093     -7.720205      3.059207
  C      -4.005413     -7.423078      4.550049
  N      -4.619393     -6.113653      4.609593
  Mo     -3.682471     -4.579640      3.596362
  N      -1.822023     -5.370288      4.215405
  C      -1.074415     -6.367745      3.473246
  C      -1.813514     -6.658108      2.182572
  H      -0.964501     -7.280693      4.087338
  H      -0.054359     -6.023157      3.230214
  H      -1.584275     -7.666880      1.804011
  H      -1.508112     -5.932764      1.425577
  H      -4.621496     -8.197540      5.026320
  H      -3.033760     -7.419865      5.062973
  H      -4.870595     -7.889372      2.647193
  H      -3.249709     -8.609182      2.855603
  H      -2.579349     -5.155619     -0.226144
  H      -4.217810     -4.488813     -0.086648
  H      -3.672480     -7.155339      0.363115
  H      -5.001499     -6.282650      1.187486
  C      -2.403029     -2.968948      1.296989
  C      -2.011652     -2.531904     -0.005341
  C      -1.511923     -1.261044     -0.181957
  C      -1.408620     -0.348142      0.898717
  C      -1.763407     -0.744627      2.166643
  C      -2.213334     -2.068095      2.398523
  N      -2.624604     -2.525811      3.620751
  C      -2.182831     -1.929134      4.729997
  C      -0.889562     -1.353888      5.004647
  O      -0.611237     -0.630362      5.930155
  Cl      0.497783     -2.038693      3.985835
  C      -5.947636     -5.960473      4.908741
  C      -6.748863     -6.890026      5.612112
  C      -8.084272     -6.610121      5.880492
  C      -8.671159     -5.411674      5.456921
  C      -7.906301     -4.480500      4.752368
  C      -6.566910     -4.751733      4.503228
  N      -5.731228     -3.836714      3.721617
  C      -6.009692     -2.449672      3.825347
  C      -5.700455     -1.558044      2.799415
  O      -5.286546     -1.677939      1.665663
  Cl     -6.000869      0.205109      3.447553
  C      -1.426782     -5.124083      5.490291
  C      -0.182495     -5.530280      6.041231
  C       0.162003     -5.163006      7.328496
  C      -0.706916     -4.380916      8.120535
  C      -1.945067     -4.019526      7.631359
  C      -2.342391     -4.421318      6.338295
  N      -3.562071     -4.095564      5.780902
  C      -4.625833     -3.746942      6.499306
  C      -4.981572     -4.302520      7.789932
  O      -4.501588     -5.217928      8.409145
  Cl     -6.506119     -3.484028      8.401899
  H      -2.140702     -3.188177     -0.863772
  H      -1.240959     -0.930511     -1.186473
  H      -1.101362      0.680951      0.713325
  H      -1.758997     -0.033514      2.992140
  H      -2.827700     -1.936007      5.605852
  H      -6.312326     -7.819044      5.977065
  H      -8.673985     -7.332341      6.447070
  H      -9.712705     -5.192755      5.691671
  H      -8.335775     -3.539097      4.409396
  H      -6.471366     -2.119705      4.747779
  H       0.527456     -6.082795      5.428196
  H       1.140199     -5.445099      7.721290
  H      -0.389342     -4.038618      9.105317
  H      -2.607496     -3.383845      8.217165
  H      -5.370979     -3.119710      6.024960
  N      -5.300717     -4.369310      2.541654
72
Coordinates from ORCA-job orca E -7297.814517689202
  N      -2.970040     -4.141961      1.581212
  C      -3.410730     -4.986789      0.477344
  C      -3.917124     -6.315847      1.033609
  N      -3.291315     -6.531281      2.363398
  C      -3.866239     -7.721228      3.058676
  C      -4.007140     -7.423312      4.549122
  N      -4.621650     -6.114313      4.607942
  Mo     -3.683132     -4.579890      3.596487
  N      -1.822733     -5.370804      4.215590
  C      -1.074188     -6.367929      3.473684
  C      -1.812418     -6.658798      2.182588
  H      -0.964601     -7.280915      4.087765
  H      -0.054146     -6.022792      3.231521
  H      -1.583300     -7.667824      1.804632
  H      -1.506927     -5.934059      1.425113
  H      -4.623137     -8.198130      5.025024
  H      -3.035894     -7.419331      5.062758
  H      -4.868660     -7.891703      2.644648
  H      -3.247398     -8.609685      2.857325
  H      -2.578052     -5.155870     -0.226051
  H      -4.216607     -4.489282     -0.086710
  H      -3.669865     -7.155667      0.363140
  H      -5.000884     -6.283909      1.186640
  C      -2.402624     -2.968827      1.297247
  C      -2.011395     -2.531627     -0.005171
  C      -1.511069     -1.261022     -0.181683
  C      -1.406874     -0.348440      0.899253
  C      -1.761681     -0.744924      2.167121
  C      -2.212656     -2.068152      2.398857
  N      -2.623799     -2.525968      3.620946
  C      -2.181278     -1.930035      4.730242
  C      -0.887715     -1.355446      5.004477
  O      -0.608475     -0.632318      5.930070
  Cl      0.498051     -2.034771      3.979799
  C      -5.949372     -5.959893      4.908393
  C      -6.750559     -6.889155      5.612342
  C      -8.085379     -6.608062      5.882673
  C      -8.671718     -5.408913      5.460453
  C      -7.906903     -4.477976      4.755397
  C      -6.568229     -4.750437      4.504541
  N      -5.732339     -3.835732      3.722136
  C      -6.009992     -2.448327      3.826081
  C      -5.702819     -1.557418      2.798876
  O      -5.291468     -1.678579      1.664312
  Cl     -6.003373      0.206168      3.445381
  C      -1.426777     -5.123094      5.490087
  C      -0.181974     -5.527994      6.040719
  C       0.162760     -5.159949      7.327729
  C      -0.706593     -4.378300      8.119787
  C      -1.945234     -4.018143      7.630912
  C      -2.342591     -4.420422      6.338012
  N      -3.562846     -4.096568      5.780973
  C      -4.627513     -3.750477      6.499237
  C      -4.982783     -4.307704      7.789236
  O      -4.502066     -5.223755      8.406993
  Cl     -6.512524     -3.496864      8.398340
  H      -2.141174     -3.187763     -0.863615
  H      -1.240331     -0.930398     -1.186247
  H      -1.098911      0.680503      0.714075
  H      -1.756482     -0.034035      2.992835
  H      -2.825905     -1.936898      5.606331
  H      -6.314423     -7.818881      5.976014
  H      -8.674937     -7.330094      6.449697
  H      -9.712698     -5.188953      5.696829
  H      -8.336077     -3.536020      4.413489
  H      -6.469473     -2.117499      4.749287
  H       0.528085     -6.080306      5.427614
  H       1.141317     -5.441152      7.720302
  H      -0.388987     -4.035473      9.104394
  H      -2.608057     -3.382945      8.216843
  H      -5.374142     -3.125047      6.024830
  N      -5.299602     -4.367551      2.539362
72
Coordinates from ORCA-job orca E -7297.814525602989
  N      -2.971096     -4.142199      1.581863
  C      -3.412700     -4.987001      0.478329
  C      -3.918607     -6.316149      1.034963
  N      -3.291682     -6.531570      2.364190
  C      -3.865870     -7.721625      3.059954
  C      -4.007499     -7.422910      4.550184
  N      -4.622866     -6.114306      4.608053
  Mo     -3.683852     -4.579829      3.597385
  N      -1.822926     -5.370316      4.215358
  C      -1.074176     -6.367103      3.473196
  C      -1.812865     -6.658717      2.182520
  H      -0.963886     -7.279914      4.087401
  H      -0.054444     -6.021447      3.230501
  H      -1.583710     -7.667865      1.804946
  H      -1.508000     -5.934315      1.424464
  H      -4.623136     -8.197895      5.026300
  H      -3.036408     -7.417961      5.064112
  H      -4.867977     -7.893223      2.645647
  H      -3.246208     -8.609686      2.859454
  H      -2.580682     -5.156052     -0.225833
  H      -4.219126     -4.489518     -0.084955
  H      -3.672015     -7.155788      0.364010
  H      -5.002199     -6.284355      1.189068
  C      -2.402859     -2.969530      1.297700
  C      -2.011529     -2.532797     -0.004869
  C      -1.510528     -1.262519     -0.181741
  C      -1.405797     -0.349755      0.898997
  C      -1.760693     -0.745779      2.166982
  C      -2.212245     -2.068749      2.399149
  N      -2.623474     -2.526059      3.621409
  C      -2.181088     -1.929970      4.730640
  C      -0.887376     -1.356000      5.005432
  O      -0.608011     -0.634263      5.932053
  Cl      0.498921     -2.038608      3.983586
  C      -5.951083     -5.960622      4.906729
  C      -6.752857     -6.890536      5.609107
  C      -8.088253     -6.610180      5.877526
  C      -8.674566     -5.411199      5.454869
  C      -7.909122     -4.479639      4.751242
  C      -6.570016     -4.751431      4.502268
  N      -5.733188     -3.835631      3.722195
  C      -6.010594     -2.448402      3.827670
  C      -5.700500     -1.555920      2.802649
  O      -5.286052     -1.675443      1.669058
  Cl     -6.003813      0.206612      3.450679
  C      -1.426060     -5.121891      5.489450
  C      -0.180533     -5.525768      6.039242
  C       0.164896     -5.157304      7.325921
  C      -0.704436     -4.376094      8.118498
  C      -1.943606     -4.016788      7.630427
  C      -2.341622     -4.419457      6.337815
  N      -3.562336     -4.096351      5.781515
  C      -4.626570     -3.750237      6.500455
  C      -4.980516     -4.306962      7.790966
  O      -4.497517     -5.221032      8.409926
  Cl     -6.507044     -3.492818      8.403862
  H      -2.141843     -3.189044     -0.863143
  H      -1.239709     -0.932292     -1.186412
  H      -1.097306      0.678990      0.713606
  H      -1.755027     -0.034655      2.992488
  H      -2.826201     -1.936243      5.606409
  H      -6.316871     -7.820239      5.973010
  H      -8.678277     -7.332729      6.443405
  H      -9.715977     -5.191786      5.689840
  H      -8.338211     -3.537718      4.409118
  H      -6.472740     -2.118880      4.750024
  H       0.529408     -6.077732      5.425696
  H       1.143922     -5.437791      7.717830
  H      -0.386364     -4.032915      9.102830
  H      -2.606417     -3.381900      8.216721
  H      -5.373741     -3.125171      6.026514
  N      -5.300436     -4.365981      2.540812
72
Coordinates from ORCA-job orca E -7297.814527306946
  N      -2.973014     -4.143349      1.582963
  C      -3.416575     -4.987990      0.480147
  C      -3.921519     -6.317276      1.037468
  N      -3.292825     -6.532616      2.365694
  C      -3.865706     -7.722589      3.062574
  C      -4.008450     -7.422068      4.552335
  N      -4.625331     -6.114084      4.607987
  Mo     -3.685318     -4.579856      3.598970
  N      -1.823207     -5.369135      4.214698
  C      -1.074332     -6.365605      3.472294
  C      -1.814132     -6.658977      2.182622
  H      -0.962622     -7.277838      4.087098
  H      -0.055189     -6.019195      3.228228
  H      -1.584747     -7.668379      1.805920
  H      -1.510472     -5.935253      1.423407
  H      -4.623338     -8.197123      5.029291
  H      -3.037569     -7.415139      5.066671
  H      -4.867388     -7.896105      2.648036
  H      -3.244759     -8.610043      2.863489
  H      -2.585922     -5.157097     -0.225553
  H      -4.224022     -4.490412     -0.081588
  H      -3.676279     -7.156607      0.365614
  H      -5.004784     -6.285815      1.193392
  C      -2.402280     -2.972078      1.298358
  C      -2.010051     -2.536798     -0.004448
  C      -1.506996     -1.267463     -0.182157
  C      -1.401149     -0.354129      0.897977
  C      -1.756875     -0.748773      2.166164
  C      -2.210246     -2.070935      2.399344
  N      -2.622545     -2.526546      3.621905
  C      -2.180968     -1.929562      4.730877
  C      -0.887158     -1.356283      5.006822
  O      -0.608505     -0.633573      5.932850
  Cl      0.500102     -2.040887      3.987460
  C      -5.954488     -5.961956      4.903399
  C      -6.757398     -6.893338      5.602410
  C      -8.093785     -6.614313      5.867602
  C      -8.679905     -5.415306      5.444976
  C      -7.913216     -4.482302      4.744495
  C      -6.573351     -4.752919      4.498586
  N      -5.735027     -3.834731      3.723133
  C      -6.011365     -2.447974      3.834936
  C      -5.698348     -1.550227      2.815246
  O      -5.280064     -1.663939      1.682520
  Cl     -6.000901      0.208924      3.472431
  C      -1.424476     -5.118738      5.487833
  C      -0.177377     -5.520048      6.035999
  C       0.169434     -5.149994      7.321802
  C      -0.699951     -4.369458      8.115098
  C      -1.940351     -4.012445      7.628647
  C      -2.339698     -4.416712      6.336894
  N      -3.561533     -4.095708      5.782026
  C      -4.625175     -3.750026      6.502252
  C      -4.976501     -4.306049      7.793594
  O      -4.493350     -5.221038      8.411148
  Cl     -6.505922     -3.496430      8.405669
  H      -2.141362     -3.193380     -0.862306
  H      -1.235439     -0.938412     -1.187007
  H      -1.091060      0.674026      0.712013
  H      -1.750338     -0.036939      2.991043
  H      -2.827415     -1.934126      5.605699
  H      -6.321832     -7.823265      5.966204
  H      -8.684737     -7.338070      6.430960
  H      -9.722077     -5.196958      5.677509
  H      -8.342054     -3.540227      4.402501
  H      -6.476665     -2.123004      4.757346
  H       0.532433     -6.071436      5.421795
  H       1.149495     -5.428579      7.712452
  H      -0.380882     -4.024952      9.098637
  H      -2.603258     -3.378031      8.215361
  H      -5.374028     -3.126638      6.028679
  N      -5.301650     -4.362657      2.542772
72
Coordinates from ORCA-job orca E -7297.814533107727
  N      -2.974276     -4.144176      1.584290
  C      -3.419486     -4.988195      0.481731
  C      -3.923857     -6.317831      1.038983
  N      -3.293763     -6.533673      2.366382
  C      -3.865822     -7.723855      3.063611
  C      -4.010817     -7.421661      4.552827
  N      -4.629193     -6.114357      4.606318
  Mo     -3.687392     -4.580029      3.600532
  N      -1.824079     -5.368234      4.213867
  C      -1.074695     -6.364106      3.471185
  C      -1.815193     -6.659260      2.182252
  H      -0.961652     -7.275851      4.086474
  H      -0.056151     -6.016649      3.226171
  H      -1.585468     -7.668928      1.806505
  H      -1.512531     -5.936288      1.421912
  H      -4.624951     -8.196931      5.030394
  H      -3.040264     -7.412684      5.067774
  H      -4.866640     -7.899479      2.647890
  H      -3.243162     -8.610524      2.866565
  H      -2.589949     -5.157250     -0.225256
  H      -4.227642     -4.490255     -0.078657
  H      -3.679380     -7.156506      0.366011
  H      -5.006980     -6.286808      1.196114
  C      -2.400668     -2.974369      1.299813
  C      -2.006899     -2.540309     -0.002983
  C      -1.500989     -1.272168     -0.180978
  C      -1.393705     -0.358718      0.898918
  C      -1.750912     -0.752168      2.167048
  C      -2.207188     -2.073258      2.400658
  N      -2.621380     -2.527110      3.623166
  C      -2.180965     -1.929423      4.732080
  C      -0.887174     -1.356786      5.009530
  O      -0.609226     -0.634391      5.935976
  Cl      0.501049     -2.042341      3.992000
  C      -5.958767     -5.963005      4.900472
  C      -6.762503     -6.895766      5.596615
  C      -8.099294     -6.617209      5.860713
  C      -8.684983     -5.417556      5.439625
  C      -7.917374     -4.483224      4.741745
  C      -6.577241     -4.753399      4.497219
  N      -5.738088     -3.833910      3.724244
  C      -6.013972     -2.447460      3.838718
  C      -5.700903     -1.547557      2.820748
  O      -5.282140     -1.659210      1.688052
  Cl     -6.005663      0.209989      3.480521
  C      -1.423019     -5.115146      5.485782
  C      -0.174037     -5.513086      6.032081
  C       0.174098     -5.141251      7.316993
  C      -0.695769     -4.362068      8.111202
  C      -1.937689     -4.008077      7.626572
  C      -2.338129     -4.413887      6.335608
  N      -3.561478     -4.096172      5.782439
  C      -4.624941     -3.753136      6.504362
  C      -4.972065     -4.309549      7.796447
  O      -4.483428     -5.221158      8.414790
  Cl     -6.499905     -3.500735      8.414063
  H      -2.139319     -3.196913     -0.860655
  H      -1.228208     -0.944127     -1.185825
  H      -1.081249      0.668701      0.712847
  H      -1.743257     -0.039929      2.991569
  H      -2.829067     -1.932362      5.605727
  H      -6.327569     -7.826535      5.958965
  H      -8.690878     -7.342144      6.421902
  H      -9.727472     -5.199693      5.671172
  H      -8.345921     -3.540680      4.400697
  H      -6.481438     -2.124513      4.760747
  H       0.535830     -6.063577      5.417146
  H       1.155395     -5.417365      7.706276
  H      -0.375820     -4.016215      9.093980
  H      -2.601142     -3.374758      8.213896
  H      -5.376789     -3.132650      6.031642
  N      -5.302190     -4.357051      2.543064
72
Coordinates from ORCA-job orca E -7297.814535759953
  N      -2.975188     -4.146349      1.585759
  C      -3.421390     -4.990344      0.483623
  C      -3.925612     -6.320109      1.041021
  N      -3.294344     -6.536228      2.367816
  C      -3.865990     -7.726269      3.065591
  C      -4.014565     -7.421396      4.553959
  N      -4.634577     -6.114880      4.603902
  Mo     -3.689551     -4.580881      3.602575
  N      -1.825262     -5.368479      4.213867
  C      -1.075103     -6.363876      3.471301
  C      -1.815980     -6.661315      2.183039
  H      -0.960813     -7.274960      4.087357
  H      -0.057166     -6.015234      3.225565
  H      -1.585863     -7.671473      1.808823
  H      -1.513957     -5.939586      1.421305
  H      -4.628062     -8.196671      5.032291
  H      -3.044624     -7.409879      5.070019
  H      -4.865488     -7.904463      2.647826
  H      -3.241212     -8.612154      2.871936
  H      -2.592448     -5.159769     -0.223987
  H      -4.229768     -4.492373     -0.076415
  H      -3.681346     -7.158300      0.367339
  H      -5.008718     -6.289427      1.198864
  C      -2.399856     -2.977567      1.300847
  C      -2.005325     -2.544850     -0.002257
  C      -1.497526     -1.277619     -0.181177
  C      -1.389030     -0.363601      0.898126
  C      -1.746925     -0.755675      2.166457
  C      -2.205062     -2.075984      2.401185
  N      -2.619961     -2.528073      3.624013
  C      -2.180272     -1.929594      4.732647
  C      -0.886318     -1.357760      5.011211
  O      -0.608888     -0.635543      5.937938
  Cl      0.502465     -2.043201      3.994387
  C      -5.964980     -5.964324      4.895101
  C      -6.770557     -6.899140      5.586343
  C      -8.108111     -6.621278      5.847812
  C      -8.692737     -5.420524      5.428807
  C      -7.923230     -4.484117      4.735608
  C      -6.582565     -4.753751      4.493828
  N      -5.741095     -3.831296      3.726656
  C      -6.014979     -2.445324      3.848996
  C      -5.697423     -1.539513      2.837457
  O      -5.275466     -1.645455      1.705433
  Cl     -6.005553      0.214046      3.505030
  C      -1.420892     -5.110998      5.483915
  C      -0.169673     -5.504592      6.028042
  C       0.180459     -5.129086      7.311372
  C      -0.689512     -4.350265      8.105881
  C      -1.933360     -4.000206      7.623388
  C      -2.335554     -4.409546      6.334092
  N      -3.560960     -4.096669      5.782820
  C      -4.624495     -3.757180      6.506545
  C      -4.966924     -4.314050      7.799460
  O      -4.472091     -5.221755      8.418727
  Cl     -6.493708     -3.507023      8.422588
  H      -2.138761     -3.201860     -0.859458
  H      -1.224276     -0.950691     -1.186262
  H      -1.075051      0.663254      0.711452
  H      -1.738367     -0.042788      2.990402
  H      -2.829656     -1.931133      5.605421
  H      -6.336851     -7.831230      5.946717
  H      -8.701072     -7.347993      6.405257
  H      -9.735798     -5.203216      5.658308
  H      -8.351008     -3.540623      4.396239
  H      -6.485561     -2.127363      4.771183
  H       0.540003     -6.054943      5.412764
  H       1.163280     -5.401957      7.699095
  H      -0.368086     -4.001596      9.087191
  H      -2.597083     -3.367219      8.210780
  H      -5.380013     -3.140654      6.034472
  N      -5.302353     -4.351014      2.543040
72
Coordinates from ORCA-job orca E -7297.814540271509
  N      -2.976030     -4.148499      1.588665
  C      -3.423671     -4.991852      0.486722
  C      -3.928504     -6.321566      1.043821
  N      -3.295636     -6.539079      2.369639
  C      -3.867278     -7.728899      3.067654
  C      -4.020202     -7.421082      4.555063
  N      -4.641785     -6.115366      4.600854
  Mo     -3.692086     -4.581804      3.606238
  N      -1.826798     -5.369609      4.214548
  C      -1.076076     -6.364355      3.471637
  C      -1.817623     -6.663892      2.184116
  H      -0.960368     -7.274877      4.088288
  H      -0.058834     -6.014420      3.225005
  H      -1.587210     -7.674552      1.811370
  H      -1.516091     -5.943470      1.421003
  H      -4.632974     -8.196270      5.034363
  H      -3.050915     -7.406770      5.072269
  H      -4.865171     -7.909806      2.647263
  H      -3.240189     -8.613968      2.877992
  H      -2.595354     -5.162060     -0.221466
  H      -4.231843     -4.493282     -0.073075
  H      -3.685001     -7.159023      0.368908
  H      -5.011548     -6.290680      1.202702
  C      -2.398470     -2.980935      1.303549
  C      -2.003087     -2.549511      0.000154
  C      -1.492839     -1.283408     -0.179600
  C      -1.382688     -0.368986      0.899178
  C      -1.741450     -0.759657      2.167662
  C      -2.201969     -2.079027      2.403480
  N      -2.617873     -2.529032      3.626618
  C      -2.179261     -1.929749      4.735049
  C      -0.885242     -1.358598      5.015115
  O      -0.608833     -0.635972      5.941824
  Cl      0.504176     -2.041405      3.997588
  C      -5.972862     -5.965052      4.889821
  C      -6.780850     -6.902077      5.575244
  C      -8.118996     -6.624296      5.834407
  C      -8.701915     -5.421843      5.418419
  C      -7.929995     -4.483347      4.730513
  C      -6.588855     -4.752892      4.491645
  N      -5.744851     -3.828287      3.729648
  C      -6.017947     -2.442910      3.855261
  C      -5.695168     -1.534115      2.847742
  O      -5.267743     -1.638036      1.717639
  Cl     -6.008677      0.217231      3.516683
  C      -1.417379     -5.106195      5.481802
  C      -0.163108     -5.494184      6.022612
  C       0.190177     -5.113508      7.303599
  C      -0.679447     -4.334775      8.098633
  C      -1.925994     -3.989857      7.619438
  C      -2.331008     -4.404176      6.332642
  N      -3.559428     -4.098107      5.784349
  C      -4.623042     -3.764699      6.511134
  C      -4.958445     -4.323256      7.804841
  O      -4.458336     -5.229865      8.421594
  Cl     -6.490531     -3.527650      8.430361
  H      -2.137822     -3.206776     -0.856642
  H      -1.219040     -0.957600     -1.184905
  H      -1.066790      0.657195      0.711983
  H      -1.731839     -0.046183      2.991073
  H      -2.830249     -1.929944      5.606727
  H      -6.349075     -7.836215      5.932546
  H      -8.713745     -7.352989      6.387380
  H      -9.745479     -5.204726      5.645808
  H      -8.356628     -3.538617      4.393164
  H      -6.493225     -2.127480      4.775905
  H       0.546001     -6.044697      5.406829
  H       1.175084     -5.382181      7.688956
  H      -0.355605     -3.982175      9.077751
  H      -2.589751     -3.357079      8.207016
  H      -5.384039     -3.153851      6.040556
  N      -5.302461     -4.340278      2.544891
72
Coordinates from ORCA-job orca E -7297.814545366235
  N      -2.976369     -4.149696      1.588891
  C      -3.424039     -4.993011      0.487039
  C      -3.929504     -6.322172      1.044392
  N      -3.296544     -6.540197      2.369805
  C      -3.868162     -7.729464      3.068244
  C      -4.020959     -7.420950      4.555505
  N      -4.642780     -6.115185      4.600071
  Mo     -3.692297     -4.582229      3.606810
  N      -1.826662     -5.369717      4.214403
  C      -1.076433     -6.364784      3.471524
  C      -1.818573     -6.664825      2.184436
  H      -0.960213     -7.274956      4.088605
  H      -0.059310     -6.015068      3.224023
  H      -1.587898     -7.675517      1.811897
  H      -1.517032     -5.944496      1.421209
  H      -4.633568     -8.195828      5.035434
  H      -3.051702     -7.406098      5.072733
  H      -4.866221     -7.910424      2.648222
  H      -3.241297     -8.614705      2.878576
  H      -2.595552     -5.163898     -0.220780
  H      -4.231696     -4.494208     -0.073306
  H      -3.687397     -7.159850      0.369215
  H      -5.012333     -6.290418      1.203776
  C      -2.397429     -2.982868      1.303647
  C      -2.000994     -2.552360      0.000303
  C      -1.489980     -1.286604     -0.179865
  C      -1.380118     -0.371612      0.898398
  C      -1.739841     -0.761461      2.166887
  C      -2.200906     -2.080506      2.403215
  N      -2.618066     -2.529207      3.626437
  C      -2.180921     -1.928394      4.734577
  C      -0.887652     -1.355599      5.015143
  O      -0.612919     -0.631742      5.941376
  Cl      0.503416     -2.039197      4.000689
  C      -5.974347     -5.965755      4.887691
  C      -6.783084     -6.903822      5.570680
  C      -8.121564     -6.626578      5.828698
  C      -8.704111     -5.423568      5.413876
  C      -7.931402     -4.484100      4.728252
  C      -6.589918     -4.753169      4.490388
  N      -5.745576     -3.827368      3.730426
  C      -6.018573     -2.442637      3.860479
  C      -5.697796     -1.530239      2.855380
  O      -5.271497     -1.630250      1.724546
  Cl     -6.007187      0.218615      3.531885
  C      -1.416250     -5.105093      5.480996
  C      -0.161518     -5.492140      6.021406
  C       0.192054     -5.110462      7.302014
  C      -0.677580     -4.331731      8.097056
  C      -1.924499     -3.987626      7.618271
  C      -2.329675     -4.402800      6.331807
  N      -3.558468     -4.097782      5.783868
  C      -4.621602     -3.764626      6.511644
  C      -4.954214     -4.321623      7.806591
  O      -4.452836     -5.227487      8.423431
  Cl     -6.487369     -3.527977      8.432391
  H      -2.135335     -3.209999     -0.856262
  H      -1.215273     -0.961539     -1.185160
  H      -1.063710      0.654328      0.710788
  H      -1.730634     -0.047492      2.989870
  H      -2.832759     -1.928015      5.605597
  H      -6.351792     -7.838492      5.927127
  H      -8.716920     -7.356179      6.379803
  H      -9.747995     -5.206942      5.640218
  H      -8.357712     -3.538940      4.391692
  H      -6.493156     -2.130535      4.782652
  H       0.547582     -6.042893      5.405832
  H       1.177204     -5.378508      7.687172
  H      -0.353446     -3.978481      9.075836
  H      -2.588507     -3.355018      8.205816
  H      -5.383885     -3.155069      6.041330
  N      -5.302487     -4.337714      2.545645
72
Coordinates from ORCA-job orca E -7297.814550533747
  N      -2.976216     -4.152439      1.590292
  C      -3.424020     -4.995742      0.488594
  C      -3.931315     -6.323730      1.046475
  N      -3.297876     -6.542892      2.371189
  C      -3.869915     -7.731303      3.070090
  C      -4.024108     -7.420933      4.556825
  N      -4.646395     -6.115207      4.598354
  Mo     -3.692528     -4.583559      3.609021
  N      -1.826511     -5.371450      4.215187
  C      -1.077181     -6.367245      3.472445
  C      -1.820099     -6.667913      2.185907
  H      -0.960596     -7.276888      4.090245
  H      -0.060115     -6.018163      3.223756
  H      -1.589421     -7.678809      1.813845
  H      -1.518220     -5.948039      1.422385
  H      -4.636714     -8.195256      5.037567
  H      -3.055302     -7.404848      5.074799
  H      -4.867642     -7.912932      2.649533
  H      -3.242853     -8.616715      2.881829
  H      -2.595158     -5.168219     -0.218434
  H      -4.230504     -4.496440     -0.073007
  H      -3.691357     -7.161860      0.371030
  H      -5.013903     -6.290085      1.206698
  C      -2.396317     -2.986181      1.304642
  C      -1.999156     -2.556858      0.001129
  C      -1.488005     -1.291286     -0.180042
  C      -1.378936     -0.375190      0.897284
  C      -1.739331     -0.763920      2.165939
  C      -2.199954     -2.082899      2.403498
  N      -2.617930     -2.529980      3.627117
  C      -2.182866     -1.927154      4.734896
  C      -0.890633     -1.352278      5.016700
  O      -0.618925     -0.625658      5.941677
  Cl      0.503230     -2.036561      4.007141
  C      -5.978987     -5.966650      4.882537
  C      -6.790090     -6.906657      5.559899
  C      -8.129308     -6.629945      5.814789
  C      -8.710353     -5.425519      5.402128
  C      -7.935253     -4.484267      4.721719
  C      -6.593112     -4.752935      4.486870
  N      -5.746467     -3.824543      3.732563
  C      -6.018488     -2.440838      3.869990
  C      -5.696414     -1.522571      2.870348
  O      -5.269656     -1.616950      1.739260
  Cl     -6.006371      0.222066      3.555605
  C      -1.413079     -5.103116      5.479869
  C      -0.156865     -5.487467      6.018709
  C       0.198593     -5.102040      7.297655
  C      -0.670214     -4.322006      8.092385
  C      -1.918429     -3.980389      7.615249
  C      -2.325519     -4.399513      6.330652
  N      -3.555904     -4.098353      5.784225
  C      -4.618587     -3.767376      6.514039
  C      -4.946716     -4.323588      7.810228
  O      -4.442309     -5.227935      8.426910
  Cl     -6.480751     -3.532950      8.438344
  H      -2.132871     -3.215276     -0.854935
  H      -1.212688     -0.967229     -1.185494
  H      -1.062706      0.650633      0.708783
  H      -1.731130     -0.049070      2.988152
  H      -2.836042     -1.926155      5.604921
  H      -6.360434     -7.842802      5.914393
  H      -8.726508     -7.361289      6.361572
  H      -9.754875     -5.209328      5.625897
  H      -8.360300     -3.537950      4.386800
  H      -6.493830     -2.133951      4.793559
  H       0.551668     -6.039323      5.403461
  H       1.184698     -5.368149      7.681712
  H      -0.344394     -3.965798      9.069523
  H      -2.582041     -3.346949      8.202362
  H      -5.383805     -3.160848      6.044587
  N      -5.301479     -4.331287      2.547384
72
Coordinates from ORCA-job orca E -7297.814557781272
  N      -2.975723     -4.158977      1.594144
  C      -3.423598     -5.002542      0.492811
  C      -3.935731     -6.327652      1.052101
  N      -3.300780     -6.549521      2.375169
  C      -3.874017     -7.736190      3.074906
  C      -4.033130     -7.420834      4.560109
  N      -4.656750     -6.115423      4.593903
  Mo     -3.693591     -4.586885      3.614949
  N      -1.826472     -5.375775      4.217255
  C      -1.079062     -6.373361      3.475083
  C      -1.823521     -6.675902      2.189773
  H      -0.961956     -7.281657      4.094787
  H      -0.062074     -6.025815      3.223870
  H      -1.593152     -7.687516      1.819314
  H      -1.520792     -5.957640      1.425119
  H      -4.645807     -8.193973      5.042510
  H      -3.065746     -7.401343      5.080452
  H      -4.870290     -7.920238      2.651911
  H      -3.245693     -8.621699      2.891383
  H      -2.593705     -5.179045     -0.212119
  H      -4.227119     -4.502175     -0.072102
  H      -3.700816     -7.166870      0.376087
  H      -5.017864     -6.289253      1.214440
  C      -2.394398     -2.993640      1.307536
  C      -1.995645     -2.566997      0.003568
  C      -1.484150     -1.301880     -0.179965
  C      -1.376603     -0.383337      0.895298
  C      -1.738555     -0.769448      2.164327
  C      -2.198708     -2.088125      2.404694
  N      -2.618273     -2.531546      3.629240
  C      -2.187756     -1.923981      4.735905
  C      -0.898515     -1.342460      5.019199
  O      -0.633173     -0.612015      5.943048
  Cl      0.500968     -2.024887      4.017714
  C      -5.991681     -5.968314      4.869826
  C      -6.808698     -6.912844      5.533415
  C      -8.149643     -6.637023      5.780694
  C      -8.726806     -5.429088      5.373338
  C      -7.945724     -4.483622      4.705736
  C      -6.602155     -4.751697      4.478485
  N      -5.749413     -3.817327      3.738050
  C      -6.019071     -2.435970      3.890670
  C      -5.690432     -1.505641      2.903668
  O      -5.255800     -1.589060      1.774832
  Cl     -5.999440      0.230245      3.606851
  C      -1.405002     -5.097578      5.476888
  C      -0.144793     -5.474627      6.011362
  C       0.215424     -5.080275      7.286241
  C      -0.651851     -4.298172      8.080831
  C      -1.903555     -3.963315      7.608179
  C      -2.315072     -4.391220      6.327854
  N      -3.549687     -4.100651      5.785777
  C      -4.611283     -3.776969      6.521242
  C      -4.926205     -4.331791      7.820664
  O      -4.411054     -5.230477      8.436986
  Cl     -6.463199     -3.551628      8.456232
  H      -2.127963     -3.227322     -0.851247
  H      -1.207458     -0.980180     -1.185800
  H      -1.060471      0.642148      0.704828
  H      -1.732205     -0.052657      2.984852
  H      -2.843300     -1.922517      5.604241
  H      -6.383248     -7.852755      5.882867
  H      -8.751400     -7.372475      6.316889
  H      -9.772767     -5.213616      5.590924
  H      -8.367513     -3.534407      4.374850
  H      -6.498102     -2.139721      4.815869
  H       0.562394     -6.028690      5.396520
  H       1.204087     -5.341262      7.667253
  H      -0.322092     -3.935207      9.054147
  H      -2.566754     -3.328977      8.194905
  H      -5.385190     -3.179335      6.054726
  N      -5.298468     -4.314333      2.551200
72
Coordinates from ORCA-job orca E -7297.814565023855
  N      -2.973996     -4.165827      1.598525
  C      -3.422297     -5.009465      0.497471
  C      -3.940325     -6.331357      1.058233
  N      -3.303696     -6.556262      2.379663
  C      -3.878603     -7.741312      3.079974
  C      -4.043103     -7.420779      4.563497
  N      -4.667638     -6.115523      4.589624
  Mo     -3.694077     -4.590498      3.621311
  N      -1.825761     -5.380708      4.219139
  C      -1.080933     -6.380811      3.477849
  C      -1.826971     -6.684962      2.193776
  H      -0.964247     -7.287669      4.099764
  H      -0.063670     -6.035858      3.224132
  H      -1.597660     -7.697452      1.824974
  H      -1.523180     -5.968560      1.427858
  H      -4.656176     -8.192605      5.047383
  H      -3.077335     -7.397975      5.086534
  H      -4.873252     -7.927725      2.654154
  H      -3.249072     -8.626962      2.901511
  H      -2.591498     -5.190536     -0.205335
  H      -4.222553     -4.507553     -0.070720
  H      -3.711406     -7.171823      0.381585
  H      -5.021941     -6.287270      1.223082
  C      -2.391327     -3.001307      1.311305
  C      -1.990649     -2.577354      0.006979
  C      -1.479310     -1.312507     -0.178884
  C      -1.374387     -0.391297      0.894248
  C      -1.738294     -0.774778      2.163523
  C      -2.197043     -2.093455      2.406811
  N      -2.618509     -2.533463      3.632195
  C      -2.193632     -1.921131      4.738056
  C      -0.907744     -1.332926      5.024469
  O      -0.650653     -0.595894      5.945434
  Cl      0.498956     -2.013253      4.033159
  C      -6.004814     -5.969151      4.856749
  C      -6.828201     -6.917701      5.506364
  C      -8.170744     -6.642009      5.745792
  C      -8.743402     -5.430328      5.343733
  C      -7.955799     -4.481073      4.689235
  C      -6.611052     -4.749400      4.469757
  N      -5.751886     -3.809704      3.743202
  C      -6.018919     -2.430771      3.910657
  C      -5.687229     -1.489257      2.934605
  O      -5.251853     -1.562786      1.805457
  Cl     -6.003324      0.237986      3.651423
  C      -1.395712     -5.092086      5.473367
  C      -0.131121     -5.461307      6.002790
  C       0.234428     -5.057804      7.273264
  C      -0.631201     -4.273790      8.068065
  C      -1.886675     -3.946176      7.600541
  C      -2.303196     -4.383084      6.324822
  N      -3.542465     -4.104076      5.787929
  C      -4.602928     -3.788476      6.529375
  C      -4.904117     -4.342477      7.831720
  O      -4.377080     -5.234753      8.447597
  Cl     -6.444389     -3.574115      8.475478
  H      -2.121034     -3.239801     -0.846499
  H      -1.200971     -0.993185     -1.185028
  H      -1.058877      0.634016      0.701843
  H      -1.734725     -0.055752      2.982081
  H      -2.852489     -1.919203      5.603982
  H      -6.407422     -7.861505      5.850836
  H      -8.777418     -7.381178      6.271251
  H      -9.790682     -5.215029      5.554976
  H      -8.373728     -3.528756      4.362293
  H      -6.500290     -2.144667      4.837896
  H       0.574483     -6.017421      5.387946
  H       1.225905     -5.313344      7.650673
  H      -0.297199     -3.903890      9.037314
  H      -2.549375     -3.311140      8.187192
  H      -5.386431     -3.200962      6.066019
  N      -5.293877     -4.295937      2.555287
72
Coordinates from ORCA-job orca E -7297.814574214552
  N      -2.971346     -4.172254      1.602706
  C      -3.419629     -5.015993      0.501690
  C      -3.944266     -6.334530      1.063816
  N      -3.306388     -6.562235      2.384222
  C      -3.883535     -7.746002      3.084735
  C      -4.052832     -7.421226      4.566774
  N      -4.677414     -6.115757      4.587184
  Mo     -3.693844     -4.594355      3.627058
  N      -1.824249     -5.385738      4.220311
  C      -1.082613     -6.389198      3.480429
  C      -1.830091     -6.694323      2.197499
  H      -0.967710     -7.294643      4.104770
  H      -0.064559     -6.048143      3.224589
  H      -1.602785     -7.707772      1.830119
  H      -1.525048     -5.979781      1.430402
  H      -4.666798     -8.191800      5.051512
  H      -3.088617     -7.396124      5.092445
  H      -4.876756     -7.933950      2.656217
  H      -3.253359     -8.631985      2.910571
  H      -2.587726     -5.201656     -0.198704
  H      -4.216421     -4.512328     -0.069832
  H      -3.721720     -7.176540      0.386904
  H      -5.025384     -6.283986      1.230888
  C      -2.388626     -3.007751      1.315395
  C      -1.985732     -2.585880      0.011011
  C      -1.475517     -1.320825     -0.176586
  C      -1.374406     -0.397222      0.894799
  C      -1.740625     -0.778644      2.164039
  C      -2.197381     -2.097610      2.409527
  N      -2.620770     -2.535290      3.635392
  C      -2.202132     -1.918178      4.740564
  C      -0.920791     -1.320483      5.029335
  O      -0.672522     -0.577981      5.948282
  Cl      0.493527     -1.996024      4.046982
  C      -6.016532     -5.969266      4.845675
  C      -6.845915     -6.920635      5.483298
  C      -8.189801     -6.644399      5.715219
  C      -8.758023     -5.429464      5.317046
  C      -7.964236     -4.477442      4.674071
  C      -6.618610     -4.746769      4.461879
  N      -5.753375     -3.803259      3.747425
  C      -6.017387     -2.426256      3.926420
  C      -5.683521     -1.476706      2.958371
  O      -5.246279     -1.543536      1.829552
  Cl     -6.000845      0.244278      3.686086
  C      -1.386459     -5.087857      5.469755
  C      -0.117801     -5.450081      5.994100
  C       0.253103     -5.038584      7.260446
  C      -0.610710     -4.252756      8.055696
  C      -1.869670     -3.931596      7.593239
  C      -2.291454     -4.376728      6.322047
  N      -3.535338     -4.108617      5.790597
  C      -4.594826     -3.800262      6.537243
  C      -4.884594     -4.354073      7.841730
  O      -4.346618     -5.239884      8.457752
  Cl     -6.427237     -3.595533      8.493077
  H      -2.113145     -3.250518     -0.841233
  H      -1.195168     -1.003431     -1.182786
  H      -1.059980      0.628164      0.701006
  H      -1.740310     -0.057592      2.980812
  H      -2.863719     -1.917565      5.604534
  H      -6.429490     -7.867629      5.824228
  H      -8.801132     -7.386250      6.231451
  H      -9.806436     -5.213892      5.522285
  H      -8.378186     -3.522359      4.350059
  H      -6.499550     -2.147468      4.855504
  H       0.586044     -6.007855      5.378704
  H       1.247229     -5.289307      7.634121
  H      -0.272634     -3.876711      9.021159
  H      -2.531566     -3.295877      8.180096
  H      -5.387109     -3.222491      6.076594
  N      -5.288441     -4.280538      2.558958
72
Coordinates from ORCA-job orca E -7297.814587539696
  N      -2.965707     -4.182556      1.609367
  C      -3.413866     -5.026357      0.508274
  C      -3.950147     -6.339175      1.072465
  N      -3.310741     -6.571229      2.391791
  C      -3.892323     -7.752967      3.092520
  C      -4.068436     -7.422029      4.572268
  N      -4.692248     -6.115875      4.585584
  Mo     -3.692661     -4.600731      3.635655
  N      -1.820442     -5.393355      4.220428
  C      -1.084929     -6.403520      3.483722
  C      -1.835113     -6.710314      2.203055
  H      -0.974406     -7.306344      4.112738
  H      -0.065093     -6.070458      3.224474
  H      -1.612431     -7.725707      1.838405
  H      -1.527980     -5.999430      1.433501
  H      -4.684017     -8.190593      5.058212
  H      -3.106386     -7.393954      5.101670
  H      -4.883485     -7.942363      2.659788
  H      -3.261793     -8.639768      2.924617
  H      -2.580225     -5.219729     -0.188097
  H      -4.204787     -4.519375     -0.068510
  H      -3.738963     -7.183945      0.395362
  H      -5.030300     -6.276994      1.243057
  C      -2.383575     -3.017603      1.322445
  C      -1.976116     -2.599046      0.018301
  C      -1.469117     -1.333088     -0.171956
  C      -1.376717     -0.405231      0.896455
  C      -1.747574     -0.783388      2.165350
  C      -2.199480     -2.103323      2.414350
  N      -2.626622     -2.537841      3.640656
  C      -2.220948     -1.911811      4.744943
  C      -0.948882     -1.295785      5.039118
  O      -0.718313     -0.542088      5.953381
  Cl      0.480799     -1.961495      4.074285
  C      -6.034339     -5.968467      4.829392
  C      -6.873349     -6.923417      5.448740
  C      -8.219188     -6.645578      5.668382
  C      -8.780065     -5.425691      5.275460
  C      -7.976419     -4.470086      4.650154
  C      -6.629584     -4.741809      4.449776
  N      -5.754821     -3.793667      3.753565
  C      -6.012933     -2.419259      3.948090
  C      -5.676778     -1.460139      2.989616
  O      -5.239086     -1.519651      1.860558
  Cl     -5.994814      0.253292      3.730107
  C      -1.370730     -5.081931      5.462767
  C      -0.095837     -5.433690      5.978553
  C       0.283256     -5.012134      7.239240
  C      -0.578331     -4.225828      8.036739
  C      -1.842670     -3.914250      7.582600
  C      -2.271928     -4.368910      6.317312
  N      -3.522838     -4.116905      5.795263
  C      -4.579740     -3.818838      6.550573
  C      -4.848823     -4.369308      7.860108
  O      -4.291186     -5.242122      8.477552
  Cl     -6.396948     -3.629476      8.522481
  H      -2.097007     -3.267832     -0.831683
  H      -1.184741     -1.018768     -1.177995
  H      -1.065150      0.620642      0.700596
  H      -1.754157     -0.058580      2.978733
  H      -2.888202     -1.914271      5.604717
  H      -6.463865     -7.875031      5.785096
  H      -8.838018     -7.390887      6.170566
  H      -9.830182     -5.209310      5.470896
  H      -8.383647     -3.510771      4.330022
  H      -6.495299     -2.149392      4.879731
  H       0.605199     -5.992842      5.361136
  H       1.281422     -5.255921      7.606683
  H      -0.234629     -3.842641      8.997395
  H      -2.504116     -3.279659      8.171369
  H      -5.386530     -3.257736      6.094594
  N      -5.278692     -4.258620      2.564702
72
Coordinates from ORCA-job orca E -7297.814595041247
  N      -2.963050     -4.190011      1.614873
  C      -3.413281     -5.032690      0.513840
  C      -3.955746     -6.342826      1.078553
  N      -3.315483     -6.577821      2.397100
  C      -3.899873     -7.758024      3.098197
  C      -4.079965     -7.422622      4.576335
  N      -4.703653     -6.116265      4.584842
  Mo     -3.693671     -4.605211      3.641851
  N      -1.818984     -5.397607      4.219692
  C      -1.087602     -6.412348      3.485305
  C      -1.840355     -6.721475      2.206808
  H      -0.979450     -7.312954      4.118010
  H      -0.066882     -6.084356      3.223140
  H      -1.620770     -7.738458      1.844836
  H      -1.532290     -6.013708      1.434807
  H      -4.695674     -8.189851      5.064198
  H      -3.118773     -7.391719      5.107196
  H      -4.889741     -7.948278      2.662797
  H      -3.269013     -8.645263      2.934394
  H      -2.580052     -5.230391     -0.181876
  H      -4.201478     -4.522808     -0.064162
  H      -3.751070     -7.188581      0.400719
  H      -5.035304     -6.274664      1.251326
  C      -2.378831     -3.025926      1.328607
  C      -1.966766     -2.610264      0.024906
  C      -1.459338     -1.344704     -0.166867
  C      -1.371517     -0.414299      0.899599
  C      -1.746882     -0.789601      2.168052
  C      -2.198350     -2.109211      2.419198
  N      -2.630081     -2.540410      3.645415
  C      -2.234328     -1.908233      4.749285
  C      -0.968686     -1.280452      5.048273
  O      -0.750263     -0.520608      5.960236
  Cl      0.471788     -1.940486      4.096569
  C      -6.047990     -5.969005      4.817313
  C      -6.893906     -6.927083      5.422256
  C      -8.241155     -6.648253      5.632760
  C      -8.796736     -5.424600      5.244523
  C      -7.986143     -4.466022      4.632759
  C      -6.638331     -4.739306      4.441110
  N      -5.757167     -3.787918      3.758361
  C      -6.010341     -2.415478      3.966075
  C      -5.673672     -1.448549      3.015220
  O      -5.237124     -1.500947      1.885390
  Cl     -5.984695      0.258777      3.770046
  C      -1.360162     -5.075137      5.456277
  C      -0.079845     -5.416968      5.964609
  C       0.306215     -4.985615      7.219973
  C      -0.553565     -4.198524      8.018707
  C      -1.822803     -3.896313      7.571980
  C      -2.258656     -4.361027      6.312667
  N      -3.515548     -4.122808      5.798670
  C      -4.570637     -3.833576      6.560444
  C      -4.824505     -4.382396      7.873290
  O      -4.252386     -5.245582      8.491195
  Cl     -6.377059     -3.657707      8.543741
  H      -2.084043     -3.281600     -0.823581
  H      -1.171056     -1.032960     -1.172594
  H      -1.059761      0.611310      0.702656
  H      -1.757084     -0.062083      2.978934
  H      -2.906430     -1.912619      5.605402
  H      -6.489442     -7.882256      5.754471
  H      -8.865452     -7.396403      6.123874
  H      -9.848161     -5.207983      5.432501
  H      -8.388695     -3.503674      4.315786
  H      -6.492431     -2.153236      4.900095
  H       0.619137     -5.976891      5.345544
  H       1.308128     -5.222193      7.581865
  H      -0.204893     -3.807851      8.974548
  H      -2.483636     -3.261803      8.161532
  H      -5.388667     -3.286490      6.107361
  N      -5.273680     -4.244056      2.569447
72
Coordinates from ORCA-job orca E -7297.814603474091
  N      -2.960511     -4.196394      1.619601
  C      -3.412411     -5.037603      0.518302
  C      -3.960100     -6.345687      1.082658
  N      -3.320035     -6.583338      2.400985
  C      -3.907588     -7.761863      3.102451
  C      -4.089226     -7.423461      4.579564
  N      -4.712497     -6.116870      4.585839
  Mo     -3.694566     -4.609189      3.646315
  N      -1.817665     -5.400853      4.218014
  C      -1.089865     -6.419582      3.485676
  C      -1.845349     -6.731284      2.209508
  H      -0.983490     -7.318173      4.121656
  H      -0.068544     -6.095764      3.220784
  H      -1.628775     -7.749929      1.850495
  H      -1.536423     -6.026818      1.434835
  H      -4.704360     -8.189683      5.069742
  H      -3.127868     -7.390567      5.110098
  H      -4.896867     -7.951452      2.665358
  H      -3.277397     -8.649988      2.941198
  H      -2.579556     -5.238668     -0.176964
  H      -4.198200     -4.524880     -0.060525
  H      -3.760305     -7.192171      0.404331
  H      -5.039147     -6.272544      1.256346
  C      -2.374349     -3.033012      1.334046
  C      -1.957586     -2.620072      0.030922
  C      -1.450242     -1.354693     -0.162276
  C      -1.367577     -0.421724      0.902209
  C      -1.747434     -0.794367      2.170153
  C      -2.197889     -2.113865      2.423333
  N      -2.634028     -2.542129      3.649257
  C      -2.249006     -1.903663      4.752921
  C      -0.990084     -1.264305      5.057539
  O      -0.784536     -0.497757      5.966686
  Cl      0.462045     -1.918271      4.120005
  C      -6.058737     -5.970023      4.808164
  C      -6.910551     -6.930984      5.400218
  C      -8.258809     -6.651132      5.603213
  C      -8.809711     -5.423841      5.219986
  C      -7.993353     -4.462602      4.620273
  C      -6.644753     -4.737497      4.435493
  N      -5.758688     -3.784285      3.762918
  C      -6.006468     -2.413226      3.980955
  C      -5.668297     -1.440987      3.035749
  O      -5.234574     -1.488410      1.904653
  Cl     -5.968828      0.262267      3.802537
  C      -1.351555     -5.070228      5.450206
  C      -0.067160     -5.404613      5.952286
  C       0.324614     -4.965907      7.203535
  C      -0.533445     -4.178385      8.003480
  C      -1.806568     -3.883189      7.562901
  C      -2.247646     -4.355444      6.308367
  N      -3.509289     -4.127601      5.801150
  C      -4.562295     -3.844260      6.568163
  C      -4.802246     -4.387976      7.885604
  O      -4.217405     -5.241031      8.505685
  Cl     -6.359449     -3.676518      8.560540
  H      -2.070932     -3.294008     -0.816043
  H      -1.158101     -1.045332     -1.167621
  H      -1.056066      0.603770      0.704276
  H      -1.761473     -0.064201      2.978533
  H      -2.926475     -1.909964      5.604845
  H      -6.510373     -7.889460      5.728033
  H      -8.887838     -7.401853      6.084296
  H      -9.862194     -5.207017      5.401693
  H      -8.391913     -3.497526      4.306545
  H      -6.487038     -2.156290      4.917285
  H       0.629970     -5.965201      5.331724
  H       1.329428     -5.197066      7.560817
  H      -0.180800     -3.782272      8.955622
  H      -2.466883     -3.248981      8.153387
  H      -5.389642     -3.309843      6.116846
  N      -5.270816     -4.235217      2.573882
72
Coordinates from ORCA-job orca E -7297.814610088496
  N      -2.959298     -4.203481      1.625568
  C      -3.413892     -5.042799      0.524116
  C      -3.966153     -6.349107      1.087895
  N      -3.325867     -6.590072      2.405214
  C      -3.916261     -7.766437      3.107413
  C      -4.099460     -7.423761      4.583281
  N      -4.723464     -6.117545      4.585366
  Mo     -3.697008     -4.613140      3.651927
  N      -1.817823     -5.403989      4.216948
  C      -1.093019     -6.425803      3.486010
  C      -1.851813     -6.741565      2.212734
  H      -0.986378     -7.322117      4.125236
  H      -0.071893     -6.104511      3.217415
  H      -1.637505     -7.762129      1.857794
  H      -1.542267     -6.041272      1.434534
  H      -4.712765     -8.188995      5.077227
  H      -3.137634     -7.387258      5.112756
  H      -4.904811     -7.955991      2.668608
  H      -3.286453     -8.655437      2.949639
  H      -2.582064     -5.247207     -0.171472
  H      -4.197567     -4.527061     -0.054960
  H      -3.770514     -7.195731      0.408496
  H      -5.044729     -6.271943      1.262660
  C      -2.369037     -3.041957      1.340233
  C      -1.946927     -2.633016      0.037503
  C      -1.437706     -1.368733     -0.157914
  C      -1.358858     -0.432669      0.903929
  C      -1.743757     -0.801460      2.171522
  C      -2.194937     -2.120124      2.427693
  N      -2.636427     -2.543629      3.653519
  C      -2.262796     -1.898376      4.756717
  C      -1.010485     -1.248517      5.068057
  O      -0.818459     -0.474990      5.974113
  Cl      0.453860     -1.897601      4.147163
  C      -6.072028     -5.972497      4.796078
  C      -6.930247     -6.938057      5.371144
  C      -8.279831     -6.658037      5.565427
  C      -8.825888     -5.426265      5.189894
  C      -8.003312     -4.460911      4.605642
  C      -6.653621     -4.736596      4.428842
  N      -5.761989     -3.779907      3.769572
  C      -6.004793     -2.411141      4.001543
  C      -5.662649     -1.430238      3.066181
  O      -5.229947     -1.468860      1.934500
  Cl     -5.953649      0.265879      3.850209
  C      -1.342774     -5.063426      5.443306
  C      -0.053677     -5.389022      5.938132
  C       0.344705     -4.940561      7.184038
  C      -0.511059     -4.151621      7.984833
  C      -1.788699     -3.864828      7.551531
  C      -2.235788     -4.347060      6.303067
  N      -3.502678     -4.131632      5.803492
  C      -4.552948     -3.855594      6.577117
  C      -4.775935     -4.392443      7.900143
  O      -4.177071     -5.234390      8.522036
  Cl     -6.337112     -3.694690      8.581283
  H      -2.057406     -3.309711     -0.807633
  H      -1.141296     -1.062783     -1.163048
  H      -1.046245      0.592172      0.704374
  H      -1.760953     -0.068176      2.976934
  H      -2.946737     -1.905398      5.603540
  H      -6.534760     -7.900806      5.691978
  H      -8.914020     -7.412795      6.033273
  H      -9.879636     -5.209788      5.364509
  H      -8.397892     -3.492507      4.297139
  H      -6.486025     -2.162733      4.939901
  H       0.641359     -5.951176      5.316628
  H       1.352819     -5.165305      7.536056
  H      -0.153507     -3.748154      8.932044
  H      -2.448227     -3.230299      8.142593
  H      -5.390938     -3.335905      6.128430
  N      -5.269170     -4.223268      2.579591
72
Coordinates from ORCA-job orca E -7297.814611744905
  N      -2.959269     -4.202516      1.625571
  C      -3.413651     -5.040517      0.523069
  C      -3.965373     -6.347770      1.084830
  N      -3.327027     -6.589382      2.403038
  C      -3.918984     -7.765197      3.104799
  C      -4.097668     -7.424824      4.581658
  N      -4.721090     -6.118408      4.588266
  Mo     -3.697211     -4.613207      3.649820
  N      -1.818226     -5.403195      4.215360
  C      -1.093287     -6.424697      3.483965
  C      -1.852936     -6.741532      2.211375
  H      -0.985230     -7.320975      4.122990
  H      -0.072717     -6.102286      3.214601
  H      -1.639100     -7.762691      1.857791
  H      -1.542964     -6.042566      1.432118
  H      -4.709389     -8.190542      5.076899
  H      -3.133892     -7.389559      5.107665
  H      -4.908910     -7.951378      2.667680
  H      -3.291639     -8.655514      2.944299
  H      -2.581899     -5.243625     -0.172977
  H      -4.197484     -4.524056     -0.055183
  H      -3.767131     -7.194029      0.405713
  H      -5.044226     -6.271697      1.257104
  C      -2.368206     -3.041004      1.340569
  C      -1.944493     -2.632487      0.038279
  C      -1.434948     -1.368301     -0.157012
  C      -1.357274     -0.431897      0.904555
  C      -1.743622     -0.800360      2.171816
  C      -2.195127     -2.118955      2.427860
  N      -2.637913     -2.542386      3.653107
  C      -2.267091     -1.896939      4.757143
  C      -1.016361     -1.245350      5.071056
  O      -0.827395     -0.471359      5.977389
  Cl      0.451091     -1.892718      4.153984
  C      -6.069481     -5.974154      4.799649
  C      -6.927239     -6.940280      5.374583
  C      -8.276349     -6.660039      5.570843
  C      -8.822388     -5.427309      5.197709
  C      -8.000605     -4.461782      4.613100
  C      -6.651171     -4.737926      4.433636
  N      -5.760995     -3.783318      3.770119
  C      -6.002605     -2.413457      3.998804
  C      -5.660988     -1.435509      3.060252
  O      -5.233642     -1.476552      1.926675
  Cl     -5.942763      0.263181      3.843593
  C      -1.344395     -5.065262      5.443046
  C      -0.056501     -5.393568      5.938941
  C       0.341796     -4.945715      7.185225
  C      -0.512783     -4.154982      7.985104
  C      -1.789798     -3.865959      7.550921
  C      -2.236996     -4.348212      6.302630
  N      -3.503642     -4.130697      5.802305
  C      -4.553992     -3.852142      6.574413
  C      -4.778714     -4.383906      7.899730
  O      -4.181739     -5.224332      8.525234
  Cl     -6.339410     -3.681394      8.576048
  H      -2.054077     -3.309433     -0.806758
  H      -1.137347     -1.062687     -1.161893
  H      -1.044391      0.592884      0.705125
  H      -1.761527     -0.066853      2.976975
  H      -2.952368     -1.905626      5.602866
  H      -6.531443     -7.903587      5.693469
  H      -8.910367     -7.415161      6.038319
  H      -9.875854     -5.210733      5.373912
  H      -8.395458     -3.493080      4.305882
  H      -6.479926     -2.162110      4.938373
  H       0.638179     -5.956877      5.318094
  H       1.349230     -5.172394      7.537958
  H      -0.155154     -3.751888      8.932444
  H      -2.448391     -3.230071      8.141462
  H      -5.391032     -3.333019      6.123414
  N      -5.272820     -4.231084      2.579860
72
Coordinates from ORCA-job orca E -7297.814615286266
  N      -2.958749     -4.206455      1.629058
  C      -3.414244     -5.044172      0.526712
  C      -3.969237     -6.349704      1.089120
  N      -3.329711     -6.593403      2.406089
  C      -3.922674     -7.768168      3.108239
  C      -4.103724     -7.424427      4.584091
  N      -4.727849     -6.118263      4.586231
  Mo     -3.698156     -4.615176      3.653946
  N      -1.818341     -5.405720      4.216267
  C      -1.094970     -6.428501      3.485192
  C      -1.856037     -6.747142      2.213819
  H      -0.986275     -7.323669      4.125658
  H      -0.074612     -6.107196      3.213659
  H      -1.642996     -7.769122      1.862091
  H      -1.545661     -6.050145      1.432989
  H      -4.715033     -8.189376      5.080982
  H      -3.140570     -7.386709      5.110963
  H      -4.911824     -7.955549      2.669854
  H      -3.295022     -8.658762      2.950642
  H      -2.582649     -5.249887     -0.168779
  H      -4.196475     -4.526470     -0.052612
  H      -3.774160     -7.196222      0.409323
  H      -5.047759     -6.270759      1.262931
  C      -2.365698     -3.045980      1.343591
  C      -1.939910     -2.639891      0.041175
  C      -1.429306     -1.376384     -0.155804
  C      -1.352933     -0.438060      0.904095
  C      -1.741391     -0.804191      2.171391
  C      -2.193251     -2.122284      2.429544
  N      -2.638426     -2.542721      3.655110
  C      -2.272724     -1.893714      4.758403
  C      -1.025328     -1.236532      5.074949
  O      -0.843350     -0.458228      5.979028
  Cl      0.447830     -1.881749      4.166778
  C      -6.077529     -5.974882      4.791481
  C      -6.938762     -6.943551      5.356687
  C      -8.288778     -6.663544      5.547691
  C      -8.832380     -5.428638      5.178448
  C      -8.007026     -4.460758      4.602778
  C      -6.657004     -4.736925      4.428371
  N      -5.763030     -3.779346      3.773955
  C      -6.003574     -2.411416      4.011091
  C      -5.658920     -1.427054      3.079900
  O      -5.228634     -1.462002      1.947306
  Cl     -5.943854      0.266037      3.871978
  C      -1.338997     -5.061596      5.440007
  C      -0.048493     -5.385303      5.932070
  C       0.353276     -4.931998      7.175259
  C      -0.499994     -4.140121      7.975592
  C      -1.779263     -3.855438      7.545263
  C      -2.229676     -4.342979      6.300168
  N      -3.499035     -4.132920      5.803877
  C      -4.547915     -3.859830      6.580308
  C      -4.763021     -4.389699      7.907625
  O      -4.158222     -5.225025      8.532599
  Cl     -6.324391     -3.693865      8.590170
  H      -2.048540     -3.318266     -0.802839
  H      -1.129943     -1.072882     -1.160805
  H      -1.039424      0.586262      0.703306
  H      -1.760723     -0.069052      2.975019
  H      -2.961013     -1.902076      5.601762
  H      -6.545589     -7.909140      5.671830
  H      -8.925545     -7.420995      6.007625
  H      -9.886565     -5.212304      5.350552
  H      -8.399723     -3.490255      4.298422
  H      -6.483390     -2.166197      4.951036
  H       0.645054     -5.949885      5.311088
  H       1.362360     -5.155583      7.525266
  H      -0.139646     -3.732909      8.920130
  H      -2.437346     -3.219294      8.136165
  H      -5.391111     -3.348306      6.132174
  N      -5.270205     -4.220487      2.583185
72
Coordinates from ORCA-job orca E -7297.814616033445
  N      -2.959145     -4.206165      1.629395
  C      -3.414709     -5.043796      0.526899
  C      -3.969961     -6.349253      1.089276
  N      -3.330120     -6.593353      2.406018
  C      -3.923067     -7.768170      3.108006
  C      -4.103875     -7.424453      4.583895
  N      -4.728109     -6.118285      4.586102
  Mo     -3.698360     -4.615132      3.654082
  N      -1.818608     -5.405749      4.216277
  C      -1.095218     -6.428240      3.484856
  C      -1.856476     -6.747186      2.213626
  H      -0.985745     -7.323360      4.125226
  H      -0.075120     -6.106483      3.212795
  H      -1.643482     -7.769291      1.862239
  H      -1.546141     -6.050567      1.432452
  H      -4.715105     -8.189448      5.080824
  H      -3.140744     -7.386671      5.110787
  H      -4.912355     -7.955474      2.669888
  H      -3.295683     -8.658916      2.950221
  H      -2.583138     -5.249537     -0.168577
  H      -4.196925     -4.525978     -0.052336
  H      -3.775002     -7.195650      0.409266
  H      -5.048492     -6.270212      1.263247
  C      -2.365365     -3.046002      1.343883
  C      -1.939033     -2.640356      0.041509
  C      -1.427537     -1.377205     -0.155514
  C      -1.350784     -0.438760      0.904268
  C      -1.739875     -0.804479      2.171484
  C      -2.192694     -2.122238      2.429693
  N      -2.638657     -2.542232      3.655155
  C      -2.273281     -1.893645      4.758665
  C      -1.026090     -1.236326      5.075919
  O      -0.844871     -0.457772      5.979965
  Cl      0.447488     -1.881878      4.169114
  C      -6.077816     -5.975203      4.791393
  C      -6.938923     -6.944137      5.356283
  C      -8.289008     -6.664375      5.547300
  C      -8.832795     -5.429478      5.178277
  C      -8.007522     -4.461380      4.602821
  C      -6.657512     -4.737295      4.428461
  N      -5.763430     -3.779559      3.774214
  C      -6.004564     -2.411696      4.011080
  C      -5.660076     -1.427153      3.079978
  O      -5.228911     -1.462025      1.947722
  Cl     -5.947374      0.265718      3.871537
  C      -1.338880     -5.061376      5.439734
  C      -0.048253     -5.385106      5.931629
  C       0.353814     -4.931475      7.174569
  C      -0.499179     -4.139233      7.974922
  C      -1.778503     -3.854569      7.544776
  C      -2.229259     -4.342382      6.299919
  N      -3.498775     -4.132792      5.803809
  C      -4.547511     -3.859868      6.580460
  C      -4.762333     -4.389316      7.907983
  O      -4.157469     -5.224569      8.533022
  Cl     -6.322671     -3.692022      8.591371
  H      -2.047890     -3.318646     -0.802539
  H      -1.127677     -1.074104     -1.160490
  H      -1.036483      0.585304      0.703397
  H      -1.759028     -0.069288      2.975072
  H      -2.961840     -1.902334      5.601851
  H      -6.545689     -7.909784      5.671178
  H      -8.925703     -7.422042      6.006979
  H      -9.886997     -5.213312      5.350475
  H      -8.400323     -3.490881      4.298564
  H      -6.484768     -2.166530      4.950836
  H       0.645175     -5.949926      5.310724
  H       1.362925     -5.155212      7.524417
  H      -0.138593     -3.731760      8.919253
  H      -2.436349     -3.218263      8.135779
  H      -5.391067     -3.348611      6.132672
  N      -5.270252     -4.220010      2.583233
