76
Coordinates from ORCA-job orca E -7353.659629880369
  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
  N      -5.944899     -5.922275      1.404202
  H      -5.978415     -6.926201      1.516835
  H      -6.856852     -5.530900      1.596150
  H      -5.674636     -5.698246      0.456339
76
Coordinates from ORCA-job orca E -7353.748642487746
  N      -3.276959     -4.098059      1.755540
  C      -3.777262     -4.922406      0.664550
  C      -4.035012     -6.331231      1.238838
  N      -3.164631     -6.467875      2.433992
  C      -3.460213     -7.725049      3.175197
  C      -4.039181     -7.358541      4.553479
  N      -4.661461     -6.059339      4.384281
  Mo     -3.590919     -4.570863      3.636846
  N      -1.845805     -5.285178      4.199374
  C      -0.958989     -6.049525      3.332073
  C      -1.731989     -6.421785      2.067432
  H      -0.629444     -6.948960      3.868006
  H      -0.075610     -5.449121      3.079824
  H      -1.403866     -7.393196      1.679592
  H      -1.554872     -5.676995      1.289159
  H      -4.760380     -8.113629      4.874447
  H      -3.251476     -7.292097      5.318119
  H      -4.195010     -8.310613      2.613243
  H      -2.557330     -8.328316      3.291235
  H      -3.054503     -4.961781     -0.160653
  H      -4.699314     -4.464418      0.279287
  H      -3.793032     -7.108107      0.491871
  H      -5.093978     -6.456390      1.559317
  C      -2.651668     -2.942785      1.405017
  C      -2.339936     -2.489413      0.106020
  C      -1.718956     -1.272516     -0.061778
  C      -1.425630     -0.453028      1.039078
  C      -1.720727     -0.871530      2.315997
  C      -2.291155     -2.142228      2.521955
  N      -2.697981     -2.635186      3.734577
  C      -2.189188     -2.075342      4.849854
  C      -0.836133     -1.708568      5.083229
  O      -0.380237     -1.051500      5.989907
  Cl      0.345186     -2.530507      3.981955
  C      -5.920900     -5.833911      4.831295
  C      -6.731398     -6.681447      5.609405
  C      -8.018812     -6.296879      5.922337
  C      -8.539793     -5.083344      5.459723
  C      -7.756058     -4.222798      4.715736
  C      -6.429787     -4.570498      4.419118
  N      -5.538500     -3.805471      3.671983
  C      -5.853604     -2.496342      3.551832
  C      -5.503196     -1.700767      2.438783
  O      -5.135190     -2.030043      1.334124
  Cl     -5.787372      0.056761      2.770909
  C      -1.432546     -5.120573      5.479613
  C      -0.161717     -5.450950      5.999039
  C       0.136240     -5.163992      7.309617
  C      -0.798215     -4.515917      8.137375
  C      -2.048291     -4.202719      7.666043
  C      -2.410038     -4.543080      6.345065
  N      -3.606058     -4.252364      5.750930
  C      -4.678101     -3.908749      6.482816
  C      -5.025535     -4.493630      7.734998
  O      -4.601760     -5.461016      8.313725
  Cl     -6.474210     -3.636410      8.429382
  H      -2.608193     -3.065876     -0.767078
  H      -1.483763     -0.924258     -1.059197
  H      -0.985838      0.523337      0.882134
  H      -1.547515     -0.220378      3.164022
  H      -2.848616     -1.925894      5.706167
  H      -6.354994     -7.624662      5.979718
  H      -8.638600     -6.948410      6.524707
  H      -9.563961     -4.817191      5.685411
  H      -8.176619     -3.301215      4.335706
  H      -6.495495     -2.031770      4.295296
  H       0.596497     -5.886780      5.364970
  H       1.115782     -5.404110      7.702336
  H      -0.519946     -4.241612      9.146338
  H      -2.746939     -3.656540      8.283520
  H      -5.374673     -3.194206      6.070258
  N      -5.040869     -5.390381      2.262848
  N      -6.009755     -5.914245      1.362127
  H      -6.068976     -6.937202      1.467481
  H      -6.937477     -5.517285      1.546129
  H      -5.740135     -5.685682      0.397187
76
Coordinates from ORCA-job orca E -7353.815922490980
  N      -3.261238     -4.088313      1.731046
  C      -3.755424     -4.920177      0.635023
  C      -4.027238     -6.339080      1.214566
  N      -3.153910     -6.477492      2.427643
  C      -3.450904     -7.735386      3.180176
  C      -4.032667     -7.367145      4.564868
  N      -4.668439     -6.070756      4.401984
  Mo     -3.590885     -4.571705      3.634836
  N      -1.833398     -5.293108      4.206700
  C      -0.946254     -6.059116      3.333930
  C      -1.716298     -6.430368      2.065914
  H      -0.617449     -6.960547      3.869512
  H      -0.060571     -5.459241      3.082360
  H      -1.385239     -7.403186      1.679707
  H      -1.540232     -5.685708      1.286505
  H      -4.749634     -8.126773      4.890148
  H      -3.239455     -7.298103      5.324220
  H      -4.183498     -8.327204      2.618685
  H      -2.543577     -8.334552      3.298245
  H      -3.021237     -4.958682     -0.184046
  H      -4.674048     -4.461900      0.235956
  H      -3.775692     -7.120990      0.466234
  H      -5.101648     -6.476061      1.531637
  C      -2.630773     -2.928893      1.385607
  C      -2.313001     -2.476746      0.086664
  C      -1.691770     -1.255779     -0.078529
  C      -1.405641     -0.434119      1.026775
  C      -1.708043     -0.854569      2.304268
  C      -2.278584     -2.127864      2.506454
  N      -2.689672     -2.624781      3.724345
  C      -2.178977     -2.065170      4.845192
  C      -0.823114     -1.693376      5.091988
  O      -0.389913     -1.036216      6.011704
  Cl      0.387415     -2.499764      3.996417
  C      -5.927060     -5.840571      4.852246
  C      -6.732873     -6.689889      5.637165
  C      -8.023283     -6.307397      5.956933
  C      -8.549723     -5.093548      5.493544
  C      -7.768961     -4.229887      4.741403
  C      -6.442824     -4.574721      4.438501
  N      -5.554158     -3.796443      3.679195
  C      -5.879086     -2.484905      3.556774
  C      -5.531273     -1.700661      2.432547
  O      -5.160071     -2.049046      1.327688
  Cl     -5.817001      0.064889      2.744860
  C      -1.424734     -5.127032      5.492790
  C      -0.153399     -5.460219      6.013546
  C       0.143679     -5.172736      7.327361
  C      -0.793576     -4.521864      8.155731
  C      -2.045333     -4.206610      7.681767
  C      -2.405445     -4.547059      6.358916
  N      -3.607447     -4.251595      5.762895
  C      -4.682891     -3.903413      6.491832
  C      -5.039099     -4.489525      7.747600
  O      -4.613493     -5.461238      8.324792
  Cl     -6.490418     -3.625824      8.436892
  H      -2.577341     -3.056655     -0.789283
  H      -1.451476     -0.906774     -1.077892
  H      -0.965495      0.545784      0.872456
  H      -1.539786     -0.202050      3.155202
  H      -2.842063     -1.921023      5.699023
  H      -6.349786     -7.633769      6.008225
  H      -8.639656     -6.961237      6.565801
  H      -9.576052     -4.827700      5.724624
  H      -8.193989     -3.307003      4.361258
  H      -6.522092     -2.019600      4.301098
  H       0.606587     -5.898152      5.377656
  H       1.125558     -5.414453      7.721846
  H      -0.515862     -4.246548      9.167844
  H      -2.745582     -3.658216      8.300466
  H      -5.376452     -3.186000      6.074594
  N      -5.071883     -5.393050      2.238211
  N      -6.081019     -5.906566      1.317175
  H      -6.164961     -6.938361      1.412000
  H      -7.018628     -5.508126      1.491047
  H      -5.813134     -5.672909      0.341722
76
Coordinates from ORCA-job orca E -7353.867200947981
  N      -3.242620     -4.080815      1.707666
  C      -3.728547     -4.920575      0.608648
  C      -4.016385     -6.344892      1.191967
  N      -3.144650     -6.484532      2.420748
  C      -3.444446     -7.741383      3.183059
  C      -4.027580     -7.373533      4.572705
  N      -4.674257     -6.081191      4.417804
  Mo     -3.590303     -4.572125      3.632717
  N      -1.821488     -5.299862      4.215075
  C      -0.935334     -6.066474      3.336970
  C      -1.703051     -6.435829      2.065456
  H      -0.607015     -6.969892      3.871457
  H      -0.047548     -5.467500      3.085945
  H      -1.369398     -7.409594      1.680494
  H      -1.528345     -5.690766      1.285656
  H      -4.740446     -8.137778      4.900873
  H      -3.229049     -7.303681      5.326700
  H      -4.174557     -8.337441      2.620667
  H      -2.533630     -8.336959      3.302983
  H      -2.981678     -4.960158     -0.201708
  H      -4.641922     -4.462919      0.193720
  H      -3.754603     -7.130389      0.444895
  H      -5.105348     -6.494228      1.503111
  C      -2.606074     -2.920087      1.369224
  C      -2.278997     -2.470469      0.071250
  C      -1.656777     -1.246993     -0.090707
  C      -1.379694     -0.422809      1.017873
  C      -1.691895     -0.843124      2.294983
  C      -2.263608     -2.117350      2.493440
  N      -2.679704     -2.615603      3.714318
  C      -2.168484     -2.058683      4.839147
  C      -0.810920     -1.685358      5.097859
  O      -0.397250     -1.030973      6.028741
  Cl      0.421751     -2.480123      4.005602
  C      -5.929689     -5.845698      4.870757
  C      -6.730586     -6.696700      5.661355
  C      -8.022304     -6.316487      5.988813
  C      -8.553450     -5.102394      5.526867
  C      -7.776345     -4.236315      4.768085
  C      -6.451571     -4.578540      4.458171
  N      -5.570419     -3.787519      3.688371
  C      -5.913401     -2.477617      3.567064
  C      -5.586944     -1.698535      2.431537
  O      -5.227462     -2.057407      1.323081
  Cl     -5.887780      0.070097      2.732586
  C      -1.419111     -5.132007      5.504823
  C      -0.147964     -5.468010      6.027086
  C       0.148237     -5.179370      7.342752
  C      -0.790635     -4.525115      8.170611
  C      -2.043034     -4.207733      7.694337
  C      -2.401813     -4.548854      6.370745
  N      -3.607763     -4.248522      5.774716
  C      -4.683978     -3.894683      6.500132
  C      -5.048107     -4.480306      7.759085
  O      -4.621405     -5.454267      8.334207
  Cl     -6.500404     -3.609279      8.443215
  H      -2.537817     -3.053870     -0.806838
  H      -1.409274     -0.898608     -1.090988
  H      -0.938507      0.559341      0.866018
  H      -1.529617     -0.188892      3.147881
  H      -2.834661     -1.919798      5.690955
  H      -6.341099     -7.640990      6.031433
  H      -8.634640     -6.972534      6.603265
  H      -9.580770     -4.836581      5.763968
  H      -8.205062     -3.311964      4.389452
  H      -6.555760     -2.018895      4.317564
  H       0.612867     -5.908409      5.390055
  H       1.131624     -5.422508      7.738749
  H      -0.513383     -4.248286      9.184775
  H      -2.743844     -3.656720      8.313590
  H      -5.374142     -3.174788      6.078002
  N      -5.104717     -5.395340      2.211243
  N      -6.149863     -5.897241      1.268385
  H      -6.257791     -6.930897      1.351512
  H      -7.093066     -5.498898      1.430019
  H      -5.883286     -5.659343      0.288013
76
Coordinates from ORCA-job orca E -7353.906473935765
  N      -3.227148     -4.074879      1.688702
  C      -3.702208     -4.922302      0.588197
  C      -4.004544     -6.348185      1.173217
  N      -3.138102     -6.488900      2.414532
  C      -3.440565     -7.744026      3.184667
  C      -4.023650     -7.378970      4.577806
  N      -4.679227     -6.091339      4.432186
  Mo     -3.591336     -4.572807      3.632318
  N      -1.812426     -5.304872      4.224276
  C      -0.927809     -6.070440      3.341104
  C      -1.693383     -6.437158      2.066506
  H      -0.598979     -6.975724      3.873566
  H      -0.038538     -5.472083      3.090455
  H      -1.357064     -7.411093      1.681826
  H      -1.520483     -5.690821      1.287433
  H      -4.731929     -8.148555      4.907064
  H      -3.220346     -7.309453      5.326905
  H      -4.167812     -8.343067      2.620591
  H      -2.526796     -8.336254      3.305712
  H      -2.942610     -4.963278     -0.212150
  H      -4.609857     -4.467446      0.156866
  H      -3.732049     -7.135513      0.428912
  H      -5.106839     -6.511306      1.477086
  C      -2.587225     -2.913666      1.357786
  C      -2.252306     -2.465658      0.060929
  C      -1.631486     -1.239447     -0.098096
  C      -1.363879     -0.412744      1.012525
  C      -1.684032     -0.832863      2.288861
  C      -2.254752     -2.108262      2.484316
  N      -2.673171     -2.607269      3.706683
  C      -2.162167     -2.054141      4.834055
  C      -0.804086     -1.678531      5.102013
  O      -0.406406     -1.028318      6.042136
  Cl      0.445687     -2.460027      4.008490
  C      -5.931419     -5.850517      4.886675
  C      -6.728349     -6.703268      5.681364
  C      -8.020420     -6.325817      6.015363
  C      -8.555689     -5.111643      5.555664
  C      -7.782527     -4.243429      4.792277
  C      -6.458753     -4.582649      4.475930
  N      -5.585019     -3.781351      3.698863
  C      -5.936564     -2.473887      3.576022
  C      -5.614693     -1.708570      2.428314
  O      -5.256754     -2.085736      1.324579
  Cl     -5.915589      0.066941      2.707091
  C      -1.416082     -5.135499      5.515606
  C      -0.144847     -5.473947      6.038431
  C       0.151727     -5.184114      7.354633
  C      -0.787293     -4.526789      8.182279
  C      -2.040061     -4.207653      7.705202
  C      -2.399073     -4.549516      6.381686
  N      -3.607776     -4.245010      5.787868
  C      -4.682975     -3.885707      6.510152
  C      -5.053380     -4.469923      7.772125
  O      -4.625514     -5.444355      8.345445
  Cl     -6.505725     -3.592069      8.451587
  H      -2.505094     -3.052456     -0.818547
  H      -1.378263     -0.891527     -1.098771
  H      -0.923557      0.571644      0.862589
  H      -1.528062     -0.176829      3.143000
  H      -2.830069     -1.922540      5.685317
  H      -6.333101     -7.647553      6.049878
  H      -8.628783     -6.984047      6.634026
  H      -9.583456     -4.846191      5.798071
  H      -8.214685     -3.318121      4.416084
  H      -6.578474     -2.014418      4.327394
  H       0.615677     -5.916461      5.399938
  H       1.136441     -5.428215      7.750881
  H      -0.509561     -4.248343      9.197437
  H      -2.740264     -3.654307      8.325367
  H      -5.370291     -3.164250      6.083540
  N      -5.141505     -5.397921      2.185901
  N      -6.218495     -5.886771      1.220025
  H      -6.348697     -6.918374      1.290123
  H      -7.165012     -5.489585      1.369111
  H      -5.953041     -5.644404      0.238796
76
Coordinates from ORCA-job orca E -7353.936943945471
  N      -3.212559     -4.071462      1.673819
  C      -3.674452     -4.926109      0.573304
  C      -3.990347     -6.349230      1.158223
  N      -3.133666     -6.490906      2.408414
  C      -3.439293     -7.743800      3.184075
  C      -4.020901     -7.383253      4.579190
  N      -4.682638     -6.100174      4.443738
  Mo     -3.592918     -4.573627      3.632467
  N      -1.805806     -5.308328      4.233400
  C      -0.922947     -6.071882      3.346107
  C      -1.686262     -6.435333      2.068800
  H      -0.593125     -6.978900      3.875979
  H      -0.032460     -5.474224      3.095852
  H      -1.347535     -7.408865      1.683593
  H      -1.514791     -5.687019      1.291551
  H      -4.724628     -8.158377      4.907970
  H      -3.213421     -7.315423      5.324010
  H      -4.163604     -8.344304      2.617371
  H      -2.523421     -8.333533      3.305619
  H      -2.902050     -4.970140     -0.215630
  H      -4.575447     -4.475230      0.124656
  H      -3.707246     -7.137187      0.418184
  H      -5.104319     -6.526953      1.453577
  C      -2.569996     -2.911056      1.350218
  C      -2.226710     -2.464869      0.054516
  C      -1.608048     -1.236475     -0.102155
  C      -1.350479     -0.406642      1.009224
  C      -1.678508     -0.825498      2.284450
  C      -2.247820     -2.101776      2.477837
  N      -2.667583     -2.600267      3.700333
  C      -2.157166     -2.051741      4.829229
  C      -0.799205     -1.674479      5.104123
  O      -0.412753     -1.029849      6.051835
  Cl      0.461981     -2.443893      4.006179
  C      -5.931543     -5.854675      4.899784
  C      -6.724925     -6.709564      5.697244
  C      -8.016417     -6.335138      6.037755
  C      -8.555252     -5.120525      5.581862
  C      -7.786186     -4.250379      4.815608
  C      -6.463421     -4.586713      4.492573
  N      -5.598257     -3.777273      3.710691
  C      -5.957116     -2.473220      3.586294
  C      -5.641441     -1.720648      2.426719
  O      -5.288317     -2.113268      1.327615
  Cl     -5.943040      0.060416      2.685729
  C      -1.414963     -5.137728      5.524933
  C      -0.143581     -5.478515      6.048202
  C       0.154075     -5.187262      7.363990
  C      -0.784065     -4.526706      8.191319
  C      -2.036768     -4.205939      7.714131
  C      -2.396972     -4.548773      6.391141
  N      -3.606994     -4.240581      5.800655
  C      -4.680393     -3.875447      6.519621
  C      -5.056421     -4.456779      7.784412
  O      -4.627914     -5.430223      8.357606
  Cl     -6.508651     -3.572432      8.458072
  H      -2.472783     -3.055209     -0.825553
  H      -1.349189     -0.889765     -1.102765
  H      -0.911638      0.579453      0.860482
  H      -1.529252     -0.167325      3.138981
  H      -2.825433     -1.928333      5.681178
  H      -6.324389     -7.653721      6.062991
  H      -8.620722     -6.995625      6.659445
  H      -9.582759     -4.855497      5.829623
  H      -8.221201     -3.324012      4.443163
  H      -6.597858     -2.012910      4.338615
  H       0.615794     -5.923149      5.408413
  H       1.139727     -5.432062      7.759834
  H      -0.505360     -4.246430      9.206589
  H      -2.735551     -3.650245      8.335063
  H      -5.365247     -3.153578      6.088157
  N      -5.180789     -5.400464      2.161777
  N      -6.283765     -5.874838      1.172031
  H      -6.433663     -6.901721      1.228693
  H      -7.231609     -5.479089      1.308582
  H      -6.018217     -5.627883      0.193474
76
Coordinates from ORCA-job orca E -7353.960956882583
  N      -3.200232     -4.070233      1.663379
  C      -3.647260     -4.931625      0.563924
  C      -3.974322     -6.348578      1.147383
  N      -3.131076     -6.491380      2.402768
  C      -3.440256     -7.742129      3.181546
  C      -4.019352     -7.387199      4.577436
  N      -4.684659     -6.107695      4.452451
  Mo     -3.595211     -4.574821      3.633242
  N      -1.801738     -5.310537      4.242165
  C      -0.920337     -6.071659      3.352106
  C      -1.680941     -6.431568      2.072546
  H      -0.589269     -6.980214      3.879229
  H      -0.028724     -5.474834      3.102370
  H      -1.340149     -7.404275      1.686076
  H      -1.509955     -5.680730      1.298156
  H      -4.718878     -8.167753      4.904359
  H      -3.208469     -7.322279      5.318904
  H      -4.161862     -8.342636      2.611361
  H      -2.523138     -8.330552      3.302851
  H      -2.862677     -4.980069     -0.213129
  H      -4.541278     -4.485555      0.097775
  H      -3.681376     -7.136567      0.412273
  H      -5.097992     -6.541277      1.433947
  C      -2.556360     -2.910920      1.345939
  C      -2.205705     -2.466406      0.051059
  C      -1.590572     -1.235809     -0.104329
  C      -1.342914     -0.402203      1.006729
  C      -1.677460     -0.819361      2.280908
  C      -2.244161     -2.096857      2.473400
  N      -2.663595     -2.594476      3.695420
  C      -2.153715     -2.050526      4.825180
  C      -0.796295     -1.671113      5.104838
  O      -0.416913     -1.032697      6.058777
  Cl      0.472263     -2.428778      4.000347
  C      -5.931058     -5.858569      4.910225
  C      -6.721323     -6.716164      5.709121
  C      -8.011886     -6.345093      6.055641
  C      -8.553944     -5.129689      5.604524
  C      -7.788867     -4.257459      4.836965
  C      -6.466695     -4.590803      4.507452
  N      -5.609516     -3.775522      3.723048
  C      -5.971689     -2.474524      3.595506
  C      -5.656509     -1.734612      2.425599
  O      -5.304038     -2.141031      1.332614
  Cl     -5.954907      0.051819      2.666121
  C      -1.415085     -5.139103      5.533121
  C      -0.143394     -5.482203      6.056575
  C       0.156146     -5.189375      7.371333
  C      -0.780298     -4.525410      8.198555
  C      -2.032760     -4.203101      7.721885
  C      -2.395056     -4.547079      6.399614
  N      -3.605391     -4.235835      5.812891
  C      -4.676979     -3.864810      6.528519
  C      -5.058068     -4.442084      7.795951
  O      -4.629216     -5.413441      8.371091
  Cl     -6.510617     -3.552224      8.462521
  H      -2.444966     -3.060526     -0.828874
  H      -1.327233     -0.890629     -1.104788
  H      -0.906739      0.585535      0.858282
  H      -1.534998     -0.158790      3.135186
  H      -2.820924     -1.936424      5.679068
  H      -6.315910     -7.660137      6.071311
  H      -8.612318     -7.008029      6.679192
  H      -9.580869     -4.865408      5.857317
  H      -8.226362     -3.330057      4.469101
  H      -6.611931     -2.011099      4.346526
  H       0.614169     -5.929012      5.415497
  H       1.142550     -5.434695      7.766162
  H      -0.500068     -4.243163      9.213293
  H      -2.729567     -3.645065      8.343513
  H      -5.360040     -3.143861      6.091822
  N      -5.222696     -5.403292      2.140087
  N      -6.345270     -5.861377      1.126826
  H      -6.511946     -6.883147      1.170231
  H      -7.293533     -5.466446      1.252045
  H      -6.078210     -5.609329      0.152729
76
Coordinates from ORCA-job orca E -7353.980254137426
  N      -3.189616     -4.071002      1.656835
  C      -3.620652     -4.938592      0.558870
  C      -3.956221     -6.347166      1.139892
  N      -3.129412     -6.491467      2.397554
  C      -3.442838     -7.740403      3.177234
  C      -4.018928     -7.391137      4.572951
  N      -4.685308     -6.113620      4.458056
  Mo     -3.597823     -4.576419      3.633984
  N      -1.799880     -5.312041      4.250331
  C      -0.919159     -6.071116      3.359378
  C      -1.676152     -6.427675      2.077835
  H      -0.587169     -6.980923      3.884227
  H      -0.026187     -5.475491      3.110563
  H      -1.333795     -7.399400      1.689733
  H      -1.504103     -5.674107      1.307018
  H      -4.715114     -8.176389      4.897175
  H      -3.205515     -7.330155      5.312120
  H      -4.162246     -8.339528      2.602942
  H      -2.525456     -8.329027      3.297785
  H      -2.824754     -4.992569     -0.206293
  H      -4.507326     -4.497434      0.075383
  H      -3.654680     -7.135222      0.409847
  H      -5.087394     -6.554227      1.417837
  C      -2.545205     -2.912767      1.343919
  C      -2.188130     -2.470223      0.049482
  C      -1.577525     -1.237403     -0.105839
  C      -1.339529     -0.399272      1.004016
  C      -1.679411     -0.814264      2.277389
  C      -2.242544     -2.093276      2.470084
  N      -2.660554     -2.589883      3.691423
  C      -2.150973     -2.049727      4.821456
  C      -0.794282     -1.667485      5.103629
  O      -0.418426     -1.035127      6.062344
  Cl      0.478347     -2.414359      3.991556
  C      -5.930032     -5.862229      4.918197
  C      -6.717214     -6.723061      5.717485
  C      -8.006691     -6.355392      6.069934
  C      -8.551626     -5.138747      5.624619
  C      -7.790340     -4.264179      4.856835
  C      -6.468673     -4.594738      4.520776
  N      -5.618655     -3.775628      3.735357
  C      -5.982331     -2.477117      3.603976
  C      -5.666595     -1.746409      2.426333
  O      -5.314280     -2.161656      1.338005
  Cl     -5.963045      0.043746      2.654372
  C      -1.416027     -5.140161      5.540466
  C      -0.144121     -5.485775      6.064116
  C       0.157667     -5.191184      7.377558
  C      -0.776614     -4.523451      8.204698
  C      -2.028635     -4.199497      7.728689
  C      -2.393304     -4.544762      6.407137
  N      -3.603028     -4.230969      5.823666
  C      -4.673177     -3.853984      6.535867
  C      -5.058807     -4.426100      7.805807
  O      -4.629733     -5.394413      8.384976
  Cl     -6.512435     -3.532012      8.463998
  H      -2.420638     -3.068497     -0.829664
  H      -1.310706     -0.894134     -1.106236
  H      -0.906935      0.590092      0.854945
  H      -1.543778     -0.151025      3.130916
  H      -2.815787     -1.945438      5.678301
  H      -6.307300     -7.666962      6.075358
  H      -8.603464     -7.020934      6.694491
  H      -9.577699     -4.875394      5.882494
  H      -8.229836     -3.335490      4.494325
  H      -6.622771     -2.010543      4.352945
  H       0.611286     -5.935033      5.421990
  H       1.144601     -5.437047      7.771186
  H      -0.494587     -4.239140      9.218521
  H      -2.723294     -3.639000      8.350694
  H      -5.355164     -3.135292      6.093469
  N      -5.266566     -5.406521      2.120231
  N      -6.401495     -5.845900      1.084984
  H      -6.582075     -6.863135      1.115689
  H      -7.349480     -5.450410      1.200663
  H      -6.131244     -5.588158      0.115901
76
Coordinates from ORCA-job orca E -7353.996172286103
  N      -3.180835     -4.073283      1.653542
  C      -3.595436     -4.946594      0.556697
  C      -3.936332     -6.346255      1.134563
  N      -3.127752     -6.492466      2.392855
  C      -3.446291     -7.739925      3.171722
  C      -4.019506     -7.395326      4.566572
  N      -4.684817     -6.117936      4.460731
  Mo     -3.600586     -4.578493      3.634270
  N      -1.799858     -5.313403      4.257816
  C      -0.918704     -6.071466      3.368112
  C      -1.670891     -6.425421      2.084694
  H      -0.586563     -6.982107      3.891774
  H      -0.023949     -5.477528      3.120809
  H      -1.327494     -7.396241      1.695018
  H      -1.496044     -5.669300      1.317692
  H      -4.713637     -8.183983      4.887832
  H      -3.204511     -7.338981      5.304557
  H      -4.164216     -8.336491      2.593052
  H      -2.529679     -8.330374      3.291314
  H      -2.789397     -5.006228     -0.197193
  H      -4.474805     -4.510154      0.056813
  H      -3.627738     -7.134747      0.409193
  H      -5.072650     -6.565962      1.404626
  C      -2.536726     -2.915634      1.343299
  C      -2.174738     -2.475350      0.048872
  C      -1.569778     -1.240046     -0.107593
  C      -1.341011     -0.396792      1.000417
  C      -1.684643     -0.809442      2.273391
  C      -2.242934     -2.090426      2.467280
  N      -2.658446     -2.586365      3.688132
  C      -2.148918     -2.048744      4.817948
  C      -0.793035     -1.662708      5.100769
  O      -0.418505     -1.035546      6.062936
  Cl      0.481809     -2.399929      3.981456
  C      -5.928748     -5.865705      4.923975
  C      -6.712712     -6.730140      5.722854
  C      -8.001194     -6.365768      6.081100
  C      -8.548741     -5.147606      5.642294
  C      -7.791004     -4.270359      4.874987
  C      -6.469859     -4.598393      4.532466
  N      -5.625577     -3.777090      3.746990
  C      -5.989277     -2.480447      3.611254
  C      -5.671083     -1.754807      2.429214
  O      -5.316540     -2.173674      1.344220
  Cl     -5.966872      0.037529      2.651455
  C      -1.417441     -5.141395      5.547198
  C      -0.145571     -5.489855      6.071095
  C       0.158569     -5.193260      7.383149
  C      -0.773246     -4.521290      8.210116
  C      -2.024659     -4.195464      7.734679
  C      -2.391619     -4.542204      6.413796
  N      -3.600047     -4.226270      5.832482
  C      -4.669175     -3.843315      6.541339
  C      -5.058775     -4.409412      7.813744
  O      -4.629536     -5.373947      8.398595
  Cl     -6.514131     -3.512240      8.462739
  H      -2.400748     -3.078122     -0.828975
  H      -1.300752     -0.898800     -1.108161
  H      -0.913024      0.594378      0.849858
  H      -1.555760     -0.143332      3.125825
  H      -2.810319     -1.954465      5.678425
  H      -6.298741     -7.674136      6.075969
  H      -8.594599     -7.034025      6.706040
  H      -9.573843     -4.885378      5.905305
  H      -8.232122     -3.340159      4.518313
  H      -6.631289     -2.011088      4.357214
  H       0.607572     -5.941995      5.428308
  H       1.145835     -5.439831      7.775647
  H      -0.489267     -4.234838      9.222829
  H      -2.717196     -3.632277      8.356635
  H      -5.350740     -3.127963      6.092992
  N      -5.312141     -5.410339      2.101649
  N      -6.451471     -5.827976      1.047511
  H      -6.643330     -6.841700      1.066206
  H      -7.398462     -5.429952      1.156188
  H      -6.176344     -5.563820      0.083298
76
Coordinates from ORCA-job orca E -7354.009860592386
  N      -3.173684     -4.076708      1.652656
  C      -3.571817     -4.955300      0.555885
  C      -3.914754     -6.347178      1.129783
  N      -3.125235     -6.495356      2.388585
  C      -3.449832     -7.741411      3.165605
  C      -4.020896     -7.399690      4.559011
  N      -4.683483     -6.120734      4.460682
  Mo     -3.603398     -4.581028      3.633624
  N      -1.801296     -5.315089      4.264497
  C      -0.918460     -6.073425      3.378153
  C      -1.664560     -6.425878      2.092835
  H      -0.587185     -6.984389      3.902077
  H      -0.021485     -5.481595      3.133104
  H      -1.320491     -7.396004      1.702041
  H      -1.485544     -5.667692      1.329368
  H      -4.714461     -8.190098      4.877598
  H      -3.205252     -7.348227      5.296834
  H      -4.166984     -8.334606      2.582646
  H      -2.534960     -8.335096      3.284541
  H      -2.756714     -5.019486     -0.187489
  H      -4.444102     -4.523057      0.041003
  H      -3.600233     -7.136391      0.408583
  H      -5.053834     -6.576808      1.392668
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  C      -1.566636     -1.243297     -0.109875
  C      -1.346607     -0.394585      0.995873
  C      -1.692552     -0.804817      2.268862
  C      -2.244920     -2.088118      2.464658
  N      -2.657214     -2.583820      3.685326
  C      -2.147549     -2.047228      4.814386
  C      -0.792457     -1.656379      5.096027
  O      -0.417965     -1.032863      6.060220
  Cl      0.483284     -2.385049      3.970083
  C      -5.927257     -5.868875      4.927912
  C      -6.707717     -6.736955      5.726026
  C      -7.995251     -6.375472      6.090252
  C      -8.545140     -5.155624      5.658601
  C      -7.790789     -4.275469      4.892035
  C      -6.470461     -4.601476      4.542905
  N      -5.630533     -3.779163      3.757703
  C      -5.993558     -2.484007      3.618066
  C      -5.672309     -1.758716      2.434964
  O      -5.314575     -2.176027      1.351528
  Cl     -5.969873      0.034091      2.658523
  C      -1.419313     -5.143191      5.553345
  C      -0.147856     -5.494826      6.077671
  C       0.158394     -5.195980      7.388419
  C      -0.770843     -4.519346      8.214920
  C      -2.021467     -4.191385      7.739729
  C      -2.390277     -4.539811      6.419461
  N      -3.596893     -4.222018      5.838894
  C      -4.665285     -3.833168      6.544646
  C      -5.058299     -4.392726      7.819492
  O      -4.629047     -5.353062      8.411011
  Cl     -6.515645     -3.493125      8.459093
  H      -2.384878     -3.088789     -0.827544
  H      -1.296482     -0.904054     -1.110832
  H      -0.923989      0.598543      0.843153
  H      -1.570222     -0.135720      3.119982
  H      -2.804791     -1.962662      5.678893
  H      -6.290302     -7.681298      6.074109
  H      -8.585508     -7.046426      6.715281
  H      -9.569111     -4.894547      5.927074
  H      -8.233204     -3.343512      4.541623
  H      -6.638365     -2.012983      4.360724
  H       0.603172     -5.950289      5.434818
  H       1.145757     -5.443481      7.780106
  H      -0.484954     -4.230718      9.226467
  H      -2.712047     -3.625255      8.361126
  H      -5.346873     -3.121762      6.090463
  N      -5.359355     -5.414734      2.083091
  N      -6.494034     -5.807875      1.014256
  H      -6.694748     -6.819009      1.021544
  H      -7.439153     -5.405281      1.118666
  H      -6.212586     -5.536617      0.054654
76
Coordinates from ORCA-job orca E -7354.022292920185
  N      -3.168319     -4.080956      1.653367
  C      -3.550266     -4.964425      0.555231
  C      -3.892011     -6.351071      1.124184
  N      -3.121484     -6.500451      2.384642
  C      -3.452786     -7.744852      3.159508
  C      -4.022886     -7.403944      4.550945
  N      -4.681748     -6.122206      4.458340
  Mo     -3.606359     -4.583868      3.631886
  N      -1.803869     -5.317235      4.270185
  C      -0.918206     -6.076885      3.388862
  C      -1.657213     -6.429019      2.101643
  H      -0.588669     -6.987637      3.914448
  H      -0.018796     -5.487279      3.146767
  H      -1.312489     -7.398681      1.710417
  H      -1.473462     -5.669422      1.341002
  H      -4.717235     -8.194486      4.867476
  H      -3.207424     -7.357074      5.289462
  H      -4.169641     -8.334400      2.572619
  H      -2.540356     -8.342625      3.278608
  H      -2.726836     -5.030893     -0.178257
  H      -4.415949     -4.535643      0.026909
  H      -3.571596     -7.140909      0.406889
  H      -5.031391     -6.587615      1.380122
  C      -2.526721     -2.922715      1.343838
  C      -2.159072     -2.487766      0.048503
  C      -1.567618     -1.246854     -0.112732
  C      -1.355731     -0.392628      0.990522
  C      -1.702759     -0.800428      2.263884
  C      -2.248444     -2.086247      2.462099
  N      -2.657045     -2.582064      3.682930
  C      -2.147123     -2.045217      4.810837
  C      -0.792710     -1.649076      5.090079
  O      -0.417782     -1.027617      6.055167
  Cl      0.483220     -2.370891      3.958859
  C      -5.925721     -5.871528      4.930329
  C      -6.702469     -6.743039      5.727629
  C      -7.988997     -6.383842      6.098160
  C      -8.540948     -5.162195      5.674223
  C      -7.789859     -4.279008      4.908469
  C      -6.470738     -4.603600      4.552491
  N      -5.634004     -3.780969      3.767599
  C      -5.995630     -2.487045      3.625305
  C      -5.670420     -1.757798      2.444093
  O      -5.308345     -2.169372      1.360983
  Cl     -5.970663      0.034096      2.675341
  C      -1.421687     -5.145525      5.558733
  C      -0.150958     -5.500422      6.083681
  C       0.156997     -5.199098      7.393270
  C      -0.769699     -4.517583      8.218952
  C      -2.019422     -4.187370      7.743641
  C      -2.389551     -4.537756      6.423983
  N      -3.594114     -4.218354      5.842921
  C      -4.661776     -3.823817      6.546168
  C      -5.057532     -4.376833      7.823416
  O      -4.628555     -5.333047      8.421702
  Cl     -6.516416     -3.474736      8.454450
  H      -2.372943     -3.099860     -0.825908
  H      -1.297176     -0.909508     -1.114248
  H      -0.938904      0.602519      0.835176
  H      -1.586595     -0.128303      3.113526
  H      -2.799901     -1.969558      5.679389
  H      -6.282424     -7.688055      6.070534
  H      -8.576293     -7.057410      6.723147
  H      -9.563616     -4.902182      5.948540
  H      -8.233337     -3.345104      4.564681
  H      -6.644084     -2.015436      4.364675
  H       0.598286     -5.959483      5.441418
  H       1.144258     -5.447671      7.784535
  H      -0.482056     -4.226767      9.229353
  H      -2.708256     -3.618119      8.364033
  H      -5.343595     -3.116281      6.086893
  N      -5.408899     -5.419540      2.063514
  N      -6.528703     -5.787468      0.984277
  H      -6.735960     -6.796840      0.980644
  H      -7.471279     -5.378919      1.086718
  H      -6.239830     -5.508675      0.029116
76
Coordinates from ORCA-job orca E -7354.033841863740
  N      -3.164748     -4.085927      1.655136
  C      -3.531226     -4.973815      0.554423
  C      -3.869031     -6.358015      1.117479
  N      -3.116599     -6.507494      2.381138
  C      -3.455040     -7.749841      3.153827
  C      -4.025374     -7.408032      4.542798
  N      -4.679872     -6.122763      4.454164
  Mo     -3.609415     -4.586947      3.629147
  N      -1.807128     -5.319918      4.274892
  C      -0.917792     -6.081621      3.399746
  C      -1.649221     -6.434401      2.110755
  H      -0.590648     -6.991701      3.928117
  H      -0.015907     -5.494166      3.161145
  H      -1.303668     -7.403804      1.719756
  H      -1.460786     -5.674046      1.352090
  H      -4.721631     -8.197357      4.857839
  H      -3.210805     -7.365290      5.282719
  H      -4.171947     -8.335661      2.563434
  H      -2.545554     -8.352197      3.274002
  H      -2.700000     -5.039970     -0.169689
  H      -4.390888     -4.547684      0.014258
  H      -3.541959     -7.148003      0.404062
  H      -5.005827     -6.598331      1.366245
  C      -2.525068     -2.926716      1.344344
  C      -2.156265     -2.494528      0.048239
  C      -1.571991     -1.250715     -0.116016
  C      -1.367546     -0.391140      0.984656
  C      -1.714673     -0.796545      2.258658
  C      -2.253298     -2.084935      2.459599
  N      -2.657883     -2.581019      3.680877
  C      -2.147601     -2.042855      4.807310
  C      -0.793787     -1.641004      5.083093
  O      -0.418284     -1.020072      6.048126
  Cl      0.481725     -2.356908      3.947351
  C      -5.924156     -5.873669      4.931299
  C      -6.697271     -6.748318      5.727742
  C      -7.982677     -6.390761      6.104734
  C      -8.536334     -5.167169      5.688944
  C      -7.788268     -4.280886      4.924204
  C      -6.470674     -4.604667      4.561295
  N      -5.636331     -3.782016      3.776833
  C      -5.995845     -2.489190      3.633472
  C      -5.665639     -1.752335      2.456505
  O      -5.298482     -2.155057      1.372921
  Cl     -5.968793      0.037402      2.700629
  C      -1.424463     -5.148305      5.563347
  C      -0.154690     -5.506322      6.089185
  C       0.154496     -5.202251      7.397764
  C      -0.769812     -4.515775      8.222217
  C      -2.018560     -4.183370      7.746393
  C      -2.389474     -4.536074      6.427381
  N      -3.591927     -4.215343      5.844919
  C      -4.658646     -3.815439      6.546556
  C      -5.056375     -4.362384      7.826106
  O      -4.627974     -5.314933      8.430574
  Cl     -6.516009     -3.457426      8.450060
  H      -2.364586     -3.110988     -0.824369
  H      -1.301898     -0.915108     -1.118199
  H      -0.956643      0.606001      0.826415
  H      -1.604141     -0.121435      3.106721
  H      -2.795772     -1.975257      5.679826
  H      -6.275561     -7.694390      6.065412
  H      -8.567278     -7.066884      6.729475
  H      -9.557577     -4.908084      5.969273
  H      -8.232592     -3.344882      4.587328
  H      -6.648461     -2.017880      4.369731
  H       0.593207     -5.969123      5.448184
  H       1.141494     -5.451899      7.789006
  H      -0.480659     -4.222690      9.231512
  H      -2.705870     -3.610873      8.365387
  H      -5.340825     -3.111263      6.083366
  N      -5.460799     -5.424597      2.042539
  N      -6.555573     -5.767772      0.957340
  H      -6.767713     -6.775932      0.942953
  H      -7.495184     -5.352518      1.059569
  H      -6.258511     -5.481287      0.006516
76
Coordinates from ORCA-job orca E -7354.044628373234
  N      -3.162800     -4.091692      1.657486
  C      -3.514990     -4.983455      0.553825
  C      -3.846557     -6.367412      1.110415
  N      -3.110645     -6.516246      2.378544
  C      -3.456951     -7.756220      3.148744
  C      -4.028480     -7.412444      4.534749
  N      -4.677946     -6.123192      4.448229
  Mo     -3.612326     -4.590560      3.625272
  N      -1.810501     -5.323305      4.278750
  C      -0.916900     -6.087832      3.410817
  C      -1.640722     -6.442051      2.120374
  H      -0.592795     -6.996833      3.942989
  H      -0.012494     -5.502547      3.176046
  H      -1.294235     -7.411404      1.730100
  H      -1.447882     -5.681552      1.362821
  H      -4.727759     -8.199361      4.848530
  H      -3.215562     -7.373572      5.276848
  H      -4.174517     -8.337843      2.555206
  H      -2.551013     -8.363858      3.270490
  H      -2.676673     -5.046924     -0.161644
  H      -4.369363     -4.559303      0.003572
  H      -3.512171     -7.156811      0.400709
  H      -4.977265     -6.607553      1.351913
  C      -2.525565     -2.931126      1.344629
  C      -2.156773     -2.501342      0.047590
  C      -1.580149     -1.254454     -0.119812
  C      -1.382574     -0.389792      0.978300
  C      -1.728649     -0.793112      2.253142
  C      -2.259523     -2.084279      2.456993
  N      -2.659600     -2.580879      3.678935
  C      -2.149096     -2.040619      4.803809
  C      -0.795953     -1.632687      5.075724
  O      -0.420296     -1.011176      6.040243
  Cl      0.479182     -2.343755      3.936860
  C      -5.922496     -5.875711      4.930358
  C      -6.692444     -6.753121      5.725864
  C      -7.976587     -6.396526      6.109111
  C      -8.531453     -5.170785      5.701639
  C      -7.785954     -4.281477      4.938297
  C      -6.470034     -4.605054      4.568662
  N      -5.637517     -3.782483      3.785017
  C      -5.994185     -2.490691      3.641920
  C      -5.656984     -1.743336      2.471266
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  Cl     -5.962576      0.043146      2.732126
  C      -1.427332     -5.151393      5.567206
  C      -0.158687     -5.512213      6.094297
  C       0.151297     -5.204841      7.401907
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  C      -2.018521     -4.178847      7.747801
  C      -2.389765     -4.534544      6.429568
  N      -3.590160     -4.212954      5.845035
  C      -4.655596     -3.808061      6.546094
  C      -5.054389     -4.349577      7.827870
  O      -4.626657     -5.298969      8.437676
  Cl     -6.514076     -3.441514      8.446409
  H      -2.359830     -3.121755     -0.823335
  H      -1.311219     -0.920219     -1.122757
  H      -0.978021      0.609457      0.817027
  H      -1.623353     -0.115109      3.099593
  H      -2.792741     -1.980710      5.680092
  H      -6.270191     -7.700641      6.058444
  H      -8.558924     -7.075107      6.733296
  H      -9.551215     -4.912410      5.987837
  H      -8.230818     -3.343234      4.608504
  H      -6.651708     -2.020211      4.374800
  H       0.588300     -5.978975      5.455289
  H       1.137918     -5.455406      7.793522
  H      -0.480395     -4.217483      9.232736
  H      -2.704501     -3.602887      8.364951
  H      -5.338429     -3.106755      6.080239
  N      -5.513254     -5.430356      2.020628
  N      -6.574698     -5.747525      0.935344
  H      -6.791421     -6.754818      0.909683
  H      -7.510879     -5.324752      1.039372
  H      -6.269441     -5.453263     -0.011512
76
Coordinates from ORCA-job orca E -7354.054657073319
  N      -3.162356     -4.097951      1.659841
  C      -3.501634     -4.993282      0.553276
  C      -3.824921     -6.379134      1.102833
  N      -3.103832     -6.525985      2.376884
  C      -3.458357     -7.763504      3.144365
  C      -4.032082     -7.417234      4.527118
  N      -4.676378     -6.123992      4.441114
  Mo     -3.614912     -4.594507      3.620681
  N      -1.813433     -5.327276      4.282057
  C      -0.915453     -6.095062      3.421688
  C      -1.632051     -6.451050      2.130053
  H      -0.594812     -7.002787      3.958171
  H      -0.008630     -5.511854      3.190841
  H      -1.284403     -7.420445      1.740815
  H      -1.435440     -5.690871      1.372831
  H      -4.735087     -8.201030      4.839652
  H      -3.221500     -7.381799      5.272087
  H      -4.177063     -8.340676      2.548055
  H      -2.556285     -8.376713      3.267984
  H      -2.656834     -5.051575     -0.154273
  H      -4.351856     -4.571352     -0.005440
  H      -3.481960     -7.166976      0.396787
  H      -4.946525     -6.616343      1.336402
  C      -2.527942     -2.935723      1.344567
  C      -2.160047     -2.507781      0.046578
  C      -1.591000     -1.257843     -0.123788
  C      -1.399380     -0.388686      0.971952
  C      -1.743458     -0.790429      2.247712
  C      -2.266514     -2.084354      2.454368
  N      -2.661753     -2.581484      3.677135
  C      -2.150992     -2.038550      4.800256
  C      -0.798571     -1.624340      5.067718
  O      -0.422950     -1.000941      6.031030
  Cl      0.475833     -2.331313      3.926308
  C      -5.920889     -5.877617      4.927887
  C      -6.688490     -6.757335      5.722444
  C      -7.971025     -6.400847      6.111834
  C      -8.526300     -5.172537      5.712911
  C      -7.782672     -4.280440      4.951481
  C      -6.468523     -4.604497      4.575197
  N      -5.637595     -3.781747      3.792888
  C      -5.990764     -2.490730      3.651798
  C      -5.645373     -1.731048      2.488907
  O      -5.265171     -2.110894      1.403960
  Cl     -5.952108      0.051390      2.768962
  C      -1.430079     -5.154435      5.570534
  C      -0.162598     -5.517460      6.099326
  C       0.147693     -5.206306      7.405986
  C      -0.772544     -4.509490      8.226371
  C      -2.019222     -4.173677      7.748210
  C      -2.390436     -4.533029      6.430878
  N      -3.588975     -4.211124      5.843997
  C      -4.652970     -3.802008      6.545226
  C      -5.052273     -4.339140      7.828939
  O      -4.625412     -5.286160      8.442895
  Cl     -6.511688     -3.428087      8.443491
  H      -2.358317     -3.131490     -0.822964
  H      -1.323849     -0.924566     -1.127510
  H      -1.001154      0.612629      0.807776
  H      -1.642679     -0.109883      3.092698
  H      -2.790158     -1.985592      5.680102
  H      -6.266971     -7.706824      6.049912
  H      -8.551671     -7.081750      6.735063
  H      -9.544481     -4.914421      6.004781
  H      -8.227580     -3.339719      4.629028
  H      -6.653169     -2.021400      4.381486
  H       0.583970     -5.988218      5.462962
  H       1.133851     -5.457511      7.798350
  H      -0.481240     -4.210814      9.233371
  H      -2.704089     -3.594168      8.363162
  H      -5.336710     -3.102998      6.077829
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  N      -6.587746     -5.729122      0.915904
  H      -6.808926     -6.735908      0.878095
  H      -7.520635     -5.298873      1.022635
  H      -6.274480     -5.427105     -0.027631
76
Coordinates from ORCA-job orca E -7354.063678588413
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  C      -3.491266     -5.003184      0.552987
  C      -3.804355     -6.392671      1.094977
  N      -3.096406     -6.535765      2.376335
  C      -3.459337     -7.771105      3.140712
  C      -4.036139     -7.422533      4.520170
  N      -4.675536     -6.125704      4.433429
  Mo     -3.616845     -4.598608      3.616049
  N      -1.815264     -5.331530      4.285415
  C      -0.913271     -6.102740      3.432401
  C      -1.623360     -6.460322      2.139732
  H      -0.596396     -7.009241      3.973234
  H      -0.004161     -5.521533      3.205340
  H      -1.274225     -7.429716      1.751553
  H      -1.423749     -5.700697      1.382320
  H      -4.743247     -8.203011      4.831019
  H      -3.228576     -7.390127      5.268682
  H      -4.179681     -8.343449      2.541910
  H      -2.561330     -8.390069      3.266111
  H      -2.640574     -5.053933     -0.147332
  H      -4.338898     -4.584824     -0.012732
  H      -3.451063     -7.177739      0.392534
  H      -4.914643     -6.625854      1.319262
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  C      -2.166223     -2.513395      0.045147
  C      -1.604604     -1.260459     -0.127955
  C      -1.417796     -0.387541      0.965670
  C      -1.758752     -0.788424      2.242427
  C      -2.273934     -2.085089      2.451799
  N      -2.663748     -2.582732      3.675688
  C      -2.152634     -2.037009      4.797026
  C      -0.800929     -1.616870      5.060095
  O      -0.425663     -0.990818      6.021869
  Cl      0.472837     -2.321547      3.917604
  C      -5.919625     -5.879518      4.924068
  C      -6.686182     -6.761091      5.717406
  C      -7.966789     -6.403830      6.112422
  C      -8.521347     -5.172376      5.722064
  C      -7.778455     -4.277869      4.963421
  C      -6.465963     -4.603057      4.580991
  N      -5.636334     -3.779591      3.800960
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  C      -5.630292     -1.716337      2.509579
  O      -5.243380     -2.084553      1.423917
  Cl     -5.935692      0.061836      2.809540
  C      -1.432226     -5.156936      5.573798
  C      -0.165835     -5.521446      6.104696
  C       0.144435     -5.206023      7.410350
  C      -0.774290     -4.504068      8.228022
  C      -2.019948     -4.167367      7.748137
  C      -2.391003     -4.531080      6.431873
  N      -3.588037     -4.209416      5.842876
  C      -4.650275     -3.796896      6.545078
  C      -5.049161     -4.330653      7.830614
  O      -4.622987     -5.276051      8.447356
  Cl     -6.507609     -3.416595      8.443247
  H      -2.360423     -3.139674     -0.823343
  H      -1.340013     -0.927667     -1.132503
  H      -1.025856      0.615812      0.798816
  H      -1.661601     -0.105785      3.086168
  H      -2.787558     -1.990326      5.680142
  H      -6.266730     -7.713137      6.039683
  H      -8.546647     -7.086905      6.734020
  H      -9.537944     -4.913912      6.018983
  H      -8.222624     -3.334346      4.648404
  H      -6.652642     -2.020842      4.390139
  H       0.580661     -5.996223      5.471426
  H       1.130109     -5.457542      7.803731
  H      -0.482389     -4.202015      9.233827
  H      -2.703901     -3.584244      8.360613
  H      -5.335171     -3.099542      6.077365
  N      -5.621241     -5.444072      1.975220
  N      -6.597928     -5.714803      0.895552
  H      -6.823621     -6.721513      0.844146
  H      -7.528425     -5.278065      1.004584
  H      -6.276922     -5.405028     -0.045505
76
Coordinates from ORCA-job orca E -7354.071499128185
  N      -3.165332     -4.110948      1.663335
  C      -3.483537     -5.012702      0.553425
  C      -3.784860     -6.406929      1.087533
  N      -3.088660     -6.544578      2.377183
  C      -3.460060     -7.778414      3.137783
  C      -4.040452     -7.428385      4.514160
  N      -4.675533     -6.128658      4.425776
  Mo     -3.617719     -4.602828      3.612197
  N      -1.815533     -5.335850      4.289658
  C      -0.910260     -6.110493      3.443350
  C      -1.614744     -6.468874      2.149630
  H      -0.597486     -7.016127      3.988085
  H       0.001098     -5.531383      3.219847
  H      -1.263884     -7.438060      1.762086
  H      -1.412809     -5.709659      1.391968
  H      -4.751726     -8.205820      4.822516
  H      -3.236508     -7.398687      5.266782
  H      -4.182663     -8.345258      2.536669
  H      -2.566295     -8.403395      3.264316
  H      -2.627564     -5.054122     -0.140385
  H      -4.330136     -4.599754     -0.018135
  H      -3.419260     -7.187775      0.388510
  H      -4.882943     -6.636695      1.300644
  C      -2.537802     -2.944571      1.343537
  C      -2.174827     -2.518009      0.043668
  C      -1.620091     -1.262295     -0.131892
  C      -1.436506     -0.386572      0.959984
  C      -1.773218     -0.787440      2.237799
  C      -2.280935     -2.086639      2.449640
  N      -2.664679     -2.584720      3.674912
  C      -2.152714     -2.036145      4.794137
  C      -0.801695     -1.609904      5.051785
  O      -0.426288     -0.980038      6.011060
  Cl      0.470463     -2.312252      3.907172
  C      -5.918759     -5.881525      4.919418
  C      -6.685691     -6.764435      5.711242
  C      -7.964060     -6.405506      6.111226
  C      -8.516600     -5.170307      5.729200
  C      -7.773112     -4.273985      4.974202
  C      -6.462088     -4.600969      4.586341
  N      -5.633328     -3.776250      3.809620
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  C      -5.613153     -1.700424      2.532884
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  Cl     -5.914658      0.073665      2.852220
  C      -1.433409     -5.158630      5.577769
  C      -0.167978     -5.523896      6.111086
  C       0.142125     -5.203760      7.415597
  C      -0.775381     -4.496661      8.230219
  C      -2.020086     -4.159709      7.748381
  C      -2.391112     -4.528505      6.433396
  N      -3.587118     -4.207723      5.842747
  C      -4.647692     -3.792949      6.546246
  C      -5.045787     -4.324639      7.833220
  O      -4.620219     -5.269267      8.451342
  Cl     -6.503373     -3.408413      8.445172
  H      -2.366026     -3.146082     -0.824095
  H      -1.358872     -0.929518     -1.137321
  H      -1.050501      0.618695      0.790819
  H      -1.678467     -0.103354      3.080663
  H      -2.783057     -1.995320      5.680666
  H      -6.269460     -7.719556      6.028207
  H      -8.544166     -7.090487      6.730510
  H      -9.531644     -4.910747      6.030352
  H      -8.215565     -3.327315      4.666498
  H      -6.649838     -2.018899      4.401373
  H       0.578604     -6.002704      5.481110
  H       1.127351     -5.455240      7.810140
  H      -0.483084     -4.190761      9.234732
  H      -2.703245     -3.572876      8.358152
  H      -5.333999     -3.096868      6.079001
  N      -5.677695     -5.452452      1.953460
  N      -6.608998     -5.705548      0.870743
  H      -6.839296     -6.712395      0.803710
  H      -7.538451     -5.264000      0.980500
  H      -6.280131     -5.387855     -0.068289
76
Coordinates from ORCA-job orca E -7354.078156014659
  N      -3.168052     -4.117133      1.664671
  C      -3.478013     -5.021199      0.554699
  C      -3.766621     -6.420616      1.081289
  N      -3.080946     -6.551599      2.379656
  C      -3.460659     -7.784861      3.135713
  C      -4.044691     -7.434479      4.509409
  N      -4.676310     -6.132706      4.418556
  Mo     -3.617226     -4.607072      3.609673
  N      -1.814053     -5.339871      4.295217
  C      -0.906478     -6.117986      3.454731
  C      -1.606379     -6.476034      2.159850
  H      -0.598182     -7.023312      4.002626
  H       0.007204     -5.541281      3.234444
  H      -1.253782     -7.444710      1.772164
  H      -1.402655     -5.716763      1.402256
  H      -4.759899     -8.209476      4.814389
  H      -3.244823     -7.407093      5.266528
  H      -4.186276     -8.345332      2.532485
  H      -2.571295     -8.416194      3.262265
  H      -2.617564     -5.052479     -0.133578
  H      -4.324768     -4.615245     -0.021782
  H      -3.386996     -7.195772      0.385335
  H      -4.853372     -6.648807      1.281486
  C      -2.544419     -2.948406      1.343148
  C      -2.185760     -2.521336      0.042303
  C      -1.637520     -1.263017     -0.135578
  C      -1.455544     -0.385403      0.954900
  C      -1.786611     -0.787180      2.233866
  C      -2.286965     -2.088835      2.448048
  N      -2.663814     -2.587530      3.674978
  C      -2.150494     -2.036507      4.792006
  C      -0.799957     -1.604896      5.044291
  O      -0.424226     -0.971082      6.000846
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  C      -5.918322     -5.883592      4.914267
  C      -6.686904     -6.767259      5.704364
  C      -7.962960     -6.405999      6.108183
  C      -8.512393     -5.166793      5.733470
  C      -7.767038     -4.269419      4.982679
  C      -6.457092     -4.598635      4.590696
  N      -5.628363     -3.772367      3.818183
  C      -5.969528     -2.480886      3.691911
  C      -5.595535     -1.685570      2.556020
  O      -5.201041     -2.034899      1.467725
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  C      -0.168570     -5.524345      6.118659
  C       0.141401     -5.199083      7.421860
  C      -0.775178     -4.486965      8.233231
  C      -2.019094     -4.150491      7.749358
  C      -2.390314     -4.524983      6.435875
  N      -3.585845     -4.205811      5.844244
  C      -4.644768     -3.790092      6.549536
  C      -5.040792     -4.320911      7.837868
  O      -4.614679     -5.265101      8.456067
  Cl     -6.497174     -3.403505      8.451473
  H      -2.375312     -3.150490     -0.824967
  H      -1.380786     -0.929760     -1.142000
  H      -1.075378      0.621751      0.783765
  H      -1.693093     -0.102236      3.076175
  H      -2.776266     -2.001087      5.681847
  H      -6.274612     -7.725658      6.016273
  H      -8.544339     -7.092456      6.724656
  H      -9.526075     -4.905523      6.037633
  H      -8.206938     -3.319533      4.681519
  H      -6.644718     -2.016128      4.413685
  H       0.578078     -6.007155      5.491920
  H       1.126279     -5.450105      7.817583
  H      -0.482597     -4.176773      9.236332
  H      -2.701668     -3.559990      8.356278
  H      -5.332996     -3.095093      6.083700
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  N      -6.623914     -5.700883      0.839519
  H      -6.858732     -6.707593      0.754705
  H      -7.553560     -5.256328      0.947909
  H      -6.286189     -5.374971     -0.096940
76
Coordinates from ORCA-job orca E -7354.083878711279
  N      -3.171142     -4.122865      1.666178
  C      -3.474292     -5.028344      0.556744
  C      -3.750012     -6.432806      1.076998
  N      -3.073518     -6.556541      2.383795
  C      -3.461052     -7.790257      3.134673
  C      -4.048366     -7.440616      4.506214
  N      -4.677623     -6.137684      4.412203
  Mo     -3.615211     -4.611465      3.608963
  N      -1.810968     -5.343601      4.302298
  C      -0.902133     -6.125241      3.466656
  C      -1.598397     -6.481609      2.170359
  H      -0.598740     -7.030944      4.016797
  H       0.014052     -5.551389      3.249308
  H      -1.244267     -7.449429      1.781541
  H      -1.393255     -5.721547      1.413467
  H      -4.766944     -8.214007      4.807158
  H      -3.252752     -7.414947      5.267901
  H      -4.190414     -8.343514      2.529565
  H      -2.576141     -8.428170      3.259871
  H      -2.610509     -5.049768     -0.127419
  H      -4.322057     -4.630240     -0.023663
  H      -3.355352     -7.201057      0.383584
  H      -4.827948     -6.661832      1.263472
  C      -2.551360     -2.951704      1.343407
  C      -2.198053     -2.523323      0.041625
  C      -1.655304     -1.262795     -0.138201
  C      -1.472923     -0.384454      0.951413
  C      -1.797345     -0.788046      2.231505
  C      -2.291320     -2.091797      2.447494
  N      -2.660734     -2.591405      3.676116
  C      -2.145045     -2.038121      4.790410
  C      -0.795000     -1.600042      5.035057
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  Cl      0.471929     -2.300340      3.885171
  C      -5.918169     -5.885722      4.909285
  C      -6.689342     -6.769433      5.697732
  C      -7.963162     -6.405257      6.104106
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  C      -7.760474     -4.264625      4.988455
  C      -6.451231     -4.596495      4.593847
  N      -5.621384     -3.768856      3.826059
  C      -5.959229     -2.476356      3.705841
  C      -5.578477     -1.672620      2.577581
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  Cl     -5.862314      0.095910      2.929195
  C      -1.431798     -5.158555      5.589238
  C      -0.167662     -5.523010      6.127598
  C       0.142223     -5.192351      7.429350
  C      -0.773761     -4.475492      8.237357
  C      -2.017111     -4.140281      7.751490
  C      -2.388761     -4.520925      6.439703
  N      -3.584425     -4.204233      5.847625
  C      -4.642480     -3.789381      6.554555
  C      -5.036322     -4.321217      7.843474
  O      -4.609026     -5.265585      8.460404
  Cl     -6.492950     -3.405320      8.459200
  H      -2.387544     -3.152708     -0.825436
  H      -1.403867     -0.928563     -1.145635
  H      -1.097913      0.624388      0.778879
  H      -1.703575     -0.103035      3.073754
  H      -2.765197     -2.008253      5.684234
  H      -6.281263     -7.730996      6.005242
  H      -8.546664     -7.092511      6.717704
  H      -9.521240     -4.898599      6.040944
  H      -8.197199     -3.311698      4.692528
  H      -6.637095     -2.013649      4.426442
  H       0.578979     -6.009622      5.503844
  H       1.126888     -5.442426      7.826221
  H      -0.480979     -4.160624      9.238930
  H      -2.699326     -3.546267      8.355461
  H      -5.333129     -3.095661      6.090417
  N      -5.795971     -5.472379      1.918747
  N      -6.644327     -5.699693      0.802845
  H      -6.883118     -6.705413      0.698684
  H      -7.574768     -5.253657      0.908225
  H      -6.296121     -5.365189     -0.129261
76
Coordinates from ORCA-job orca E -7354.088861256617
  N      -3.174450     -4.127866      1.667543
  C      -3.472253     -5.034166      0.558830
  C      -3.735496     -6.442977      1.074922
  N      -3.066415     -6.559049      2.389024
  C      -3.460576     -7.794059      3.134773
  C      -4.050678     -7.445867      4.504608
  N      -4.679035     -6.142735      4.406655
  Mo     -3.611717     -4.615551      3.609729
  N      -1.806417     -5.346135      4.309960
  C      -0.897267     -6.131258      3.478194
  C      -1.590811     -6.484951      2.180352
  H      -0.598842     -7.037869      4.029734
  H       0.021489     -5.560588      3.263329
  H      -1.235390     -7.451592      1.789533
  H      -1.384774     -5.723318      1.424822
  H      -4.771646     -8.218688      4.801369
  H      -3.259231     -7.420784      5.270635
  H      -4.194030     -8.339856      2.528132
  H      -2.579841     -8.438259      3.257463
  H      -2.606677     -5.047007     -0.123163
  H      -4.321850     -4.644128     -0.024158
  H      -3.325665     -7.203722      0.383608
  H      -4.807850     -6.675344      1.248247
  C      -2.558345     -2.954311      1.343770
  C      -2.211497     -2.524223      0.040937
  C      -1.673825     -1.261716     -0.140868
  C      -1.489883     -0.383165      0.948080
  C      -1.806624     -0.789066      2.229347
  C      -2.294117     -2.094944      2.447188
  N      -2.655480     -2.595982      3.677683
  C      -2.137200     -2.041439      4.789698
  C      -0.787223     -1.599159      5.029013
  O      -0.408873     -0.956711      5.978588
  Cl      0.478300     -2.305769      3.881946
  C      -5.918232     -5.887581      4.904166
  C      -6.692746     -6.770750      5.690877
  C      -7.964923     -6.403537      6.097650
  C      -8.506235     -5.157038      5.731767
  C      -7.754441     -4.260208      4.989186
  C      -6.445229     -4.594734      4.594394
  N      -5.612721     -3.766254      3.831873
  C      -5.947676     -2.472333      3.717286
  C      -5.562042     -1.661557      2.595867
  O      -5.171269     -1.998418      1.502092
  Cl     -5.833005      0.105328      2.961764
  C      -1.428762     -5.156082      5.596122
  C      -0.164856     -5.518739      6.136799
  C       0.144861     -5.182699      7.437139
  C      -0.771147     -4.462065      8.241937
  C      -2.014265     -4.129104      7.754210
  C      -2.386187     -4.515833      6.444117
  N      -3.582526     -4.202597      5.852233
  C      -4.640056     -3.790199      6.561172
  C      -5.029901     -4.324107      7.850686
  O      -4.598880     -5.267929      8.465759
  Cl     -6.486584     -3.411306      8.471184
  H      -2.402368     -3.153391     -0.825949
  H      -1.428558     -0.926262     -1.149420
  H      -1.120020      0.627366      0.774351
  H      -1.711857     -0.104222      3.071611
  H      -2.752755     -2.016222      5.686696
  H      -6.288633     -7.734950      5.995279
  H      -8.551324     -7.090878      6.708399
  H      -9.518257     -4.891220      6.037424
  H      -8.187799     -3.304817      4.696415
  H      -6.627361     -2.012195      4.437730
  H       0.581786     -6.008622      5.515595
  H       1.129488     -5.431190      7.835112
  H      -0.478428     -4.142526      9.242048
  H      -2.696807     -3.532370      8.355341
  H      -5.333885     -3.098052      6.099400
  N      -5.857615     -5.483941      1.908230
  N      -6.671221     -5.701704      0.763873
  H      -6.912414     -6.705415      0.640402
  H      -7.602437     -5.255552      0.865619
  H      -6.311114     -5.358416     -0.161178
76
Coordinates from ORCA-job orca E -7354.093143266342
  N      -3.177783     -4.131572      1.670111
  C      -3.471918     -5.037840      0.561630
  C      -3.723697     -6.450098      1.075531
  N      -3.060060     -6.559236      2.395163
  C      -3.459472     -7.796306      3.135963
  C      -4.051531     -7.450147      4.504620
  N      -4.680313     -6.147571      4.402374
  Mo     -3.606984     -4.619497      3.612694
  N      -1.801181     -5.348091      4.318445
  C      -0.892479     -6.136596      3.489683
  C      -1.583933     -6.486227      2.189942
  H      -0.599333     -7.044773      4.041674
  H       0.029096     -5.569571      3.277348
  H      -1.227747     -7.451377      1.796062
  H      -1.377184     -5.722008      1.436805
  H      -4.773741     -8.223366      4.797606
  H      -3.263717     -7.424483      5.274311
  H      -4.197117     -8.334596      2.528008
  H      -2.582511     -8.446313      3.255070
  H      -2.606384     -5.043809     -0.120439
  H      -4.324179     -4.654892     -0.021898
  H      -3.299645     -7.203224      0.385689
  H      -4.793105     -6.687235      1.237083
  C      -2.564157     -2.956111      1.345797
  C      -2.223278     -2.523992      0.042207
  C      -1.687458     -1.260730     -0.140618
  C      -1.499070     -0.383508      0.948458
  C      -1.808975     -0.791973      2.230601
  C      -2.293923     -2.098662      2.448935
  N      -2.648046     -2.601379      3.680746
  C      -2.125328     -2.045779      4.789401
  C      -0.776120     -1.594473      5.016948
  O      -0.393859     -0.943985      5.959299
  Cl      0.481383     -2.286578      3.852742
  C      -5.918213     -5.889281      4.900140
  C      -6.696220     -6.771409      5.685327
  C      -7.967234     -6.400993      6.091033
  C      -8.504419     -5.151835      5.726084
  C      -7.748868     -4.256291      4.986830
  C      -6.439289     -4.593558      4.593731
  N      -5.602821     -3.765373      3.836414
  C      -5.935156     -2.469942      3.726120
  C      -5.548940     -1.655511      2.608345
  O      -5.166312     -1.989391      1.510515
  Cl     -5.805403      0.110993      2.984440
  C      -1.425032     -5.153210      5.604011
  C      -0.161238     -5.513595      6.146754
  C       0.148058     -5.172819      7.445883
  C      -0.768516     -4.449473      8.247804
  C      -2.011648     -4.119338      7.758473
  C      -2.383643     -4.511568      6.449874
  N      -3.581132     -4.202644      5.858362
  C      -4.639930     -3.795125      6.568364
  C      -5.027579     -4.333957      7.856555
  O      -4.593394     -5.278455      8.468391
  Cl     -6.488866     -3.429687      8.478891
  H      -2.417327     -3.151883     -0.824877
  H      -1.447610     -0.923902     -1.150019
  H      -1.131527      0.627818      0.774458
  H      -1.710941     -0.108386      3.073570
  H      -2.733312     -2.026725      5.691586
  H      -6.295538     -7.737648      5.987802
  H      -8.556909     -7.087675      6.699379
  H      -9.516331     -4.883795      6.030156
  H      -8.178962     -3.299082      4.695230
  H      -6.614861     -2.011867      4.447731
  H       0.585484     -6.005896      5.527523
  H       1.132749     -5.419342      7.844920
  H      -0.476105     -4.125647      9.246629
  H      -2.694963     -3.520705      8.356993
  H      -5.337219     -3.105173      6.108323
  N      -5.921399     -5.495427      1.902633
  N      -6.704633     -5.704462      0.727514
  H      -6.945953     -6.705495      0.585864
  H      -7.636180     -5.259065      0.826416
  H      -6.331505     -5.351761     -0.187383
76
Coordinates from ORCA-job orca E -7354.096733832454
  N      -3.180675     -4.133189      1.672343
  C      -3.473209     -5.039287      0.564238
  C      -3.714471     -6.453763      1.078268
  N      -3.053823     -6.556673      2.401304
  C      -3.456763     -7.795999      3.138274
  C      -4.049808     -7.451585      4.506110
  N      -4.680316     -6.150351      4.398530
  Mo     -3.600437     -4.621905      3.616080
  N      -1.794308     -5.347342      4.325481
  C      -0.886800     -6.139450      3.499075
  C      -1.577244     -6.484769      2.197763
  H      -0.598713     -7.049310      4.051175
  H       0.037648     -5.576459      3.288515
  H      -1.220896     -7.448356      1.800270
  H      -1.370448     -5.717434      1.447436
  H      -4.772044     -8.225914      4.796530
  H      -3.264899     -7.423658      5.278604
  H      -4.198508     -8.327405      2.529535
  H      -2.583004     -8.451026      3.253192
  H      -2.609873     -5.040060     -0.120456
  H      -4.329452     -4.662434     -0.017140
  H      -3.278193     -7.200003      0.389514
  H      -4.782317     -6.695869      1.230091
  C      -2.570140     -2.955786      1.347031
  C      -2.237616     -2.521434      0.042127
  C      -1.706420     -1.256499     -0.142626
  C      -1.515175     -0.379616      0.946086
  C      -1.815837     -0.790900      2.229451
  C      -2.293434     -2.100064      2.449653
  N      -2.638478     -2.605858      3.683357
  C      -2.113618     -2.051935      4.791656
  C      -0.763304     -1.603349      5.022007
  O      -0.382741     -0.958090      5.968421
  Cl      0.500681     -2.329847      3.886136
  C      -5.917455     -5.889573      4.895513
  C      -6.699208     -6.770249      5.679149
  C      -7.970212     -6.397041      6.080815
  C      -8.503966     -5.146595      5.713267
  C      -7.744525     -4.252746      4.976796
  C      -6.433610     -4.592230      4.588850
  N      -5.591853     -3.765795      3.836645
  C      -5.921453     -2.469182      3.726178
  C      -5.537267     -1.659116      2.605776
  O      -5.165687     -1.998522      1.505547
  Cl     -5.775812      0.110204      2.980266
  C      -1.418671     -5.147142      5.610237
  C      -0.154474     -5.504139      6.154327
  C       0.154259     -5.159339      7.452561
  C      -0.763706     -4.435296      8.252411
  C      -2.007353     -4.108885      7.761955
  C      -2.378836     -4.505481      6.454459
  N      -3.577867     -4.201727      5.864010
  C      -4.637254     -3.799902      6.576486
  C      -5.018269     -4.342863      7.864795
  O      -4.575524     -5.284842      8.474523
  Cl     -6.480075     -3.445168      8.495573
  H      -2.435545     -3.148445     -0.824707
  H      -1.474030     -0.917969     -1.153206
  H      -1.153062      0.633492      0.771126
  H      -1.716119     -0.107583      3.072347
  H      -2.720800     -2.035247      5.694294
  H      -6.301136     -7.737486      5.981926
  H      -8.563594     -7.082339      6.687114
  H      -9.516665     -4.876998      6.013322
  H      -8.171879     -3.294854      4.683385
  H      -6.599848     -2.009889      4.448162
  H       0.592431     -5.997904      5.536386
  H       1.139236     -5.403308      7.852457
  H      -0.471982     -4.108100      9.250349
  H      -2.692546     -3.510150      8.358562
  H      -5.338888     -3.112290      6.119557
  N      -5.986311     -5.505799      1.900417
  N      -6.743638     -5.706712      0.696903
  H      -6.982569     -6.705179      0.539492
  H      -7.675185     -5.262542      0.794490
  H      -6.357006     -5.344022     -0.205761
76
Coordinates from ORCA-job orca E -7354.099801655624
  N      -3.183069     -4.133725      1.677858
  C      -3.475595     -5.038562      0.569523
  C      -3.707902     -6.454666      1.083892
  N      -3.048848     -6.553814      2.408649
  C      -3.454648     -7.795923      3.141438
  C      -4.048038     -7.453617      4.508854
  N      -4.680645     -6.153831      4.396099
  Mo     -3.593423     -4.625455      3.622393
  N      -1.788240     -5.348323      4.334410
  C      -0.882230     -6.144009      3.509914
  C      -1.571697     -6.483405      2.206442
  H      -0.600043     -7.056216      4.061394
  H       0.045568     -5.585645      3.301981
  H      -1.215935     -7.445215      1.804292
  H      -1.364473     -5.712007      1.460070
  H      -4.769691     -8.229362      4.797384
  H      -3.265358     -7.422984      5.283410
  H      -4.200305     -8.320370      2.531666
  H      -2.583854     -8.455643      3.251566
  H      -2.615796     -5.035125     -0.119296
  H      -4.336502     -4.665711     -0.007353
  H      -3.261703     -7.194583      0.395346
  H      -4.774672     -6.700699      1.227163
  C      -2.573575     -2.955256      1.352306
  C      -2.246407     -2.518314      0.047020
  C      -1.712606     -1.254291     -0.137227
  C      -1.512869     -0.380953      0.952756
  C      -1.808060     -0.795030      2.236587
  C      -2.288926     -2.103160      2.455246
  N      -2.627999     -2.611679      3.689286
  C      -2.096571     -2.058554      4.793774
  C      -0.748725     -1.593567      5.005465
  O      -0.362218     -0.932818      5.938515
  Cl      0.498982     -2.266788      3.820068
  C      -5.917087     -5.891021      4.892468
  C      -6.702462     -6.769812      5.674927
  C      -7.973405     -6.393105      6.072493
  C      -8.503512     -5.141575      5.701684
  C      -7.740353     -4.249880      4.966999
  C      -6.428513     -4.592410      4.584296
  N      -5.581046     -3.769044      3.836614
  C      -5.907748     -2.470994      3.725140
  C      -5.530633     -1.668120      2.598455
  O      -5.177036     -2.016035      1.494642
  Cl     -5.751622      0.104966      2.966858
  C      -1.413604     -5.144503      5.618926
  C      -0.149430     -5.498960      6.164449
  C       0.158142     -5.151438      7.462187
  C      -0.761478     -4.427217      8.260152
  C      -2.005475     -4.104006      7.768576
  C      -2.375985     -4.503779      6.461667
  N      -3.576467     -4.205214      5.871495
  C      -4.638987     -3.811441      6.584452
  C      -5.018407     -4.362610      7.869431
  O      -4.571559     -5.305849      8.474485
  Cl     -6.489925     -3.480558      8.499916
  H      -2.450055     -3.142554     -0.820464
  H      -1.484388     -0.913977     -1.148155
  H      -1.148918      0.631662      0.778767
  H      -1.701852     -0.114470      3.081034
  H      -2.692516     -2.051678      5.703955
  H      -6.306862     -7.737774      5.978697
  H      -8.570538     -7.076304      6.677475
  H      -9.516870     -4.870126      5.997846
  H      -8.164687     -3.291363      4.671091
  H      -6.582612     -2.009566      4.449030
  H       0.597883     -5.993335      5.547430
  H       1.143214     -5.393201      7.863157
  H      -0.470724     -4.097493      9.257547
  H      -2.692507     -3.505541      8.363448
  H      -5.344578     -3.126815      6.128891
  N      -6.052151     -5.515315      1.901150
  N      -6.786685     -5.706442      0.673866
  H      -7.021347     -6.702765      0.502020
  H      -7.718001     -5.263326      0.771814
  H      -6.385726     -5.332291     -0.215010
76
Coordinates from ORCA-job orca E -7354.102537954964
  N      -3.184009     -4.132998      1.682112
  C      -3.478736     -5.037036      0.574526
  C      -3.701969     -6.454047      1.090583
  N      -3.042562     -6.550048      2.415541
  C      -3.449826     -7.794535      3.145775
  C      -4.043271     -7.453051      4.512780
  N      -4.679034     -6.155366      4.393168
  Mo     -3.584048     -4.627968      3.627670
  N      -1.779956     -5.347178      4.341395
  C      -0.875894     -6.147159      3.518713
  C      -1.565028     -6.480803      2.213401
  H      -0.599706     -7.061513      4.069856
  H       0.055410     -5.593974      3.312776
  H      -1.210218     -7.440857      1.806429
  H      -1.358080     -5.705176      1.471040
  H      -4.763280     -8.230434      4.801436
  H      -3.262061     -7.417642      5.288507
  H      -4.198916     -8.313330      2.535542
  H      -2.581353     -8.457936      3.251545
  H      -2.624517     -5.029680     -0.120810
  H      -4.346253     -4.667681      0.005387
  H      -3.248273     -7.188934      0.402073
  H      -4.767248     -6.703376      1.227270
  C      -2.577548     -2.952981      1.355280
  C      -2.259249     -2.513087      0.048832
  C      -1.728642     -1.247859     -0.136377
  C      -1.524260     -0.376016      0.953930
  C      -1.810308     -0.793295      2.238817
  C      -2.285818     -2.103266      2.457925
  N      -2.615751     -2.615854      3.693074
  C      -2.081471     -2.064588      4.796500
  C      -0.733311     -1.598564      5.006330
  O      -0.345994     -0.942581      5.942213
  Cl      0.517243     -2.299296      3.840192
  C      -5.915333     -5.890782      4.887713
  C      -6.704588     -6.766869      5.669523
  C      -7.975928     -6.386296      6.061421
  C      -8.502547     -5.134542      5.685073
  C      -7.735625     -4.245715      4.951142
  C      -6.422707     -4.591687      4.575148
  N      -5.569035     -3.772604      3.831524
  C      -5.891976     -2.472740      3.716983
  C      -5.521475     -1.678590      2.582747
  O      -5.183453     -2.036121      1.476774
  Cl     -5.723593      0.098744      2.942865
  C      -1.405547     -5.138466      5.625312
  C      -0.140774     -5.488822      6.171747
  C       0.165383     -5.138501      7.469068
  C      -0.756749     -4.415622      8.265463
  C      -2.001594     -4.096764      7.773087
  C      -2.370714     -4.499508      6.466609
  N      -3.573059     -4.207462      5.876597
  C      -4.639216     -3.822563      6.589748
  C      -5.015916     -4.381102      7.871953
  O      -4.561654     -5.322553      8.474596
  Cl     -6.495674     -3.513620      8.503699
  H      -2.468293     -3.135638     -0.818571
  H      -1.507655     -0.905219     -1.148124
  H      -1.164186      0.637929      0.779651
  H      -1.700903     -0.113873      3.083752
  H      -2.674636     -2.061097      5.708392
  H      -6.311258     -7.734821      5.976349
  H      -8.576966     -7.066463      6.665957
  H      -9.516809     -4.861181      5.976402
  H      -8.156881     -3.287119      4.650936
  H      -6.562600     -2.007742      4.442506
  H       0.607252     -5.983188      5.555489
  H       1.150776     -5.377201      7.871060
  H      -0.467326     -4.083694      9.262523
  H      -2.691186     -3.499923      8.366713
  H      -5.349270     -3.141857      6.135018
  N      -6.117500     -5.526410      1.902596
  N      -6.833608     -5.707510      0.657962
  H      -7.061880     -6.702484      0.473723
  H      -7.764983     -5.265919      0.757434
  H      -6.418965     -5.320871     -0.217204
76
Coordinates from ORCA-job orca E -7354.104918162948
  N      -3.183901     -4.131310      1.687626
  C      -3.482909     -5.034425      0.580850
  C      -3.697648     -6.452292      1.098811
  N      -3.036428     -6.546605      2.422946
  C      -3.444439     -7.793403      3.150956
  C      -4.038525     -7.452139      4.517287
  N      -4.677834     -6.156784      4.389905
  Mo     -3.574036     -4.630759      3.633868
  N      -1.771684     -5.346466      4.348411
  C      -0.869842     -6.150809      3.527264
  C      -1.558712     -6.478139      2.220121
  H      -0.600117     -7.067423      4.078012
  H       0.065145     -5.603160      3.323523
  H      -1.204930     -7.436257      1.807930
  H      -1.352460     -5.697911      1.482103
  H      -4.756457     -8.231185      4.806984
  H      -3.258617     -7.410929      5.293924
  H      -4.196201     -8.307443      2.540078
  H      -2.577819     -8.459672      3.253094
  H      -2.635572     -5.023119     -0.122452
  H      -4.358353     -4.667605      0.022165
  H      -3.239261     -7.183492      0.409797
  H      -4.761644     -6.703986      1.230513
  C      -2.579991     -2.950173      1.359769
  C      -2.269461     -2.507440      0.052451
  C      -1.739927     -1.241839     -0.133053
  C      -1.529780     -0.372157      0.957855
  C      -1.808409     -0.792123      2.243542
  C      -2.281501     -2.102993      2.462514
  N      -2.603547     -2.619765      3.698464
  C      -2.066220     -2.071869      4.801371
  C      -0.718925     -1.600196      5.007002
  O      -0.331601     -0.940286      5.939892
  Cl      0.529877     -2.295436      3.835881
  C      -5.914968     -5.891462      4.880445
  C      -6.708837     -6.765071      5.660445
  C      -7.981521     -6.381242      6.044215
  C      -8.504871     -5.129995      5.660791
  C      -7.733672     -4.243784      4.928311
  C      -6.418961     -4.592621      4.561396
  N      -5.558351     -3.778161      3.822482
  C      -5.877590     -2.476353      3.703910
  C      -5.514443     -1.690683      2.562112
  O      -5.191076     -2.056851      1.454211
  Cl     -5.703316      0.090231      2.913041
  C      -1.397180     -5.133874      5.631826
  C      -0.131977     -5.480421      6.179095
  C       0.171977     -5.128967      7.476719
  C      -0.753510     -4.409325      8.272197
  C      -1.999039     -4.094331      7.778770
  C      -2.365222     -4.497450      6.471647
  N      -3.568702     -4.210960      5.881480
  C      -4.636490     -3.833548      6.596767
  C      -5.004977     -4.396355      7.878918
  O      -4.538217     -5.332149      8.481188
  Cl     -6.485282     -3.536839      8.520791
  H      -2.484231     -3.127991     -0.814983
  H      -1.524792     -0.896999     -1.145301
  H      -1.171411      0.642390      0.783632
  H      -1.694938     -0.114115      3.089002
  H      -2.655176     -2.074853      5.715957
  H      -6.317701     -7.732521      5.971704
  H      -8.586963     -7.058360      6.647766
  H      -9.520625     -4.855310      5.945650
  H      -8.151859     -3.285578      4.622533
  H      -6.544236     -2.007757      4.430771
  H       0.617141     -5.973836      5.563299
  H       1.157453     -5.365003      7.880039
  H      -0.466324     -4.077210      9.269851
  H      -2.692288     -3.501006      8.372018
  H      -5.350837     -3.155539      6.145008
  N      -6.182702     -5.539608      1.905000
  N      -6.885176     -5.709372      0.649558
  H      -7.105510     -6.703587      0.453950
  H      -7.816922     -5.269532      0.751126
  H      -6.457532     -5.308984     -0.211959
76
Coordinates from ORCA-job orca E -7354.107005649919
  N      -3.181743     -4.128543      1.693669
  C      -3.487334     -5.030536      0.587852
  C      -3.694493     -6.449187      1.107580
  N      -3.030023     -6.543538      2.430018
  C      -3.438593     -7.792451      3.155888
  C      -4.032862     -7.450821      4.521680
  N      -4.675319     -6.157521      4.387150
  Mo     -3.562149     -4.633598      3.640507
  N      -1.762117     -5.345685      4.355012
  C      -0.862918     -6.154633      3.534884
  C      -1.552138     -6.475750      2.225966
  H      -0.599739     -7.073381      4.085359
  H       0.075758     -5.612748      3.333019
  H      -1.199447     -7.431910      1.808496
  H      -1.346893     -5.690998      1.492244
  H      -4.748520     -8.231118      4.813847
  H      -3.253200     -7.403763      5.298131
  H      -4.192666     -8.302353      2.544458
  H      -2.573536     -8.461103      3.254817
  H      -2.647916     -5.015438     -0.124395
  H      -4.371549     -4.665407      0.041841
  H      -3.234596     -7.178056      0.417330
  H      -4.757853     -6.702279      1.235908
  C      -2.580077     -2.946646      1.364998
  C      -2.277139     -2.500768      0.056987
  C      -1.747750     -1.235138     -0.128284
  C      -1.530933     -0.368268      0.963561
  C      -1.802379     -0.791098      2.249892
  C      -2.274570     -2.102319      2.468098
  N      -2.589354     -2.622938      3.704449
  C      -2.048720     -2.078329      4.806400
  C      -0.702523     -1.599956      5.006604
  O      -0.314212     -0.940501      5.939126
  Cl      0.544124     -2.295449      3.833896
  C      -5.912128     -5.890349      4.876120
  C      -6.709013     -6.760069      5.657404
  C      -7.981030     -6.370963      6.037847
  C      -8.500688     -5.119650      5.649169
  C      -7.726873     -4.237570      4.914404
  C      -6.412517     -4.591440      4.551278
  N      -5.547039     -3.783712      3.812513
  C      -5.862108     -2.480077      3.688824
  C      -5.509556     -1.704535      2.537657
  O      -5.201792     -2.080254      1.428124
  Cl     -5.687520      0.080097      2.876886
  C      -1.387668     -5.128818      5.638043
  C      -0.121506     -5.470173      6.185683
  C       0.180788     -5.115586      7.482832
  C      -0.747749     -4.397875      8.276464
  C      -1.994555     -4.088226      7.782588
  C      -2.359370     -4.495108      6.476175
  N      -3.564705     -4.216261      5.884499
  C      -4.639396     -3.849257      6.596529
  C      -5.013993     -4.423990      7.870944
  O      -4.550419     -5.366057      8.466283
  Cl     -6.519253     -3.594752      8.494977
  H      -2.498160     -3.118930     -0.810561
  H      -1.538076     -0.887816     -1.140813
  H      -1.173149      0.646542      0.789737
  H      -1.683852     -0.114988      3.096172
  H      -2.632907     -2.087590      5.723918
  H      -6.320297     -7.727299      5.972458
  H      -8.589432     -7.043902      6.643098
  H      -9.516347     -4.842036      5.931578
  H      -8.141753     -3.279335      4.604117
  H      -6.522899     -2.006646      4.417845
  H       0.628852     -5.962474      5.570416
  H       1.166826     -5.347448      7.887132
  H      -0.462008     -4.063216      9.273691
  H      -2.689988     -3.496664      8.374731
  H      -5.356972     -3.176344      6.141762
  N      -6.245203     -5.554385      1.907931
  N      -6.940157     -5.711079      0.647523
  H      -7.152025     -6.704556      0.441014
  H      -7.872421     -5.273187      0.751439
  H      -6.501152     -5.296371     -0.200632
76
Coordinates from ORCA-job orca E -7354.108841326581
  N      -3.178344     -4.125390      1.700519
  C      -3.492188     -5.026156      0.595787
  C      -3.692413     -6.445548      1.117141
  N      -3.023660     -6.540780      2.437392
  C      -3.432074     -7.791709      3.161222
  C      -4.027816     -7.449582      4.525874
  N      -4.673448     -6.158478      4.383431
  Mo     -3.550302     -4.636192      3.647675
  N      -1.752724     -5.345156      4.361266
  C      -0.856207     -6.158196      3.541710
  C      -1.545876     -6.473097      2.231323
  H      -0.599525     -7.079079      4.091803
  H       0.086027     -5.621919      3.341769
  H      -1.193804     -7.427118      1.808596
  H      -1.342195     -5.683873      1.501779
  H      -4.741303     -8.231129      4.820139
  H      -3.249095     -7.396405      5.302816
  H      -4.187362     -8.298645      2.548879
  H      -2.567967     -8.461772      3.258144
  H      -2.661255     -5.007437     -0.125859
  H      -4.385600     -4.662309      0.063846
  H      -3.233215     -7.173186      0.425222
  H      -4.755740     -6.699436      1.243006
  C      -2.579204     -2.942719      1.371108
  C      -2.283552     -2.493708      0.062495
  C      -1.755086     -1.227740     -0.122598
  C      -1.532888     -0.363249      0.970052
  C      -1.797767     -0.788739      2.256937
  C      -2.268333     -2.100562      2.474562
  N      -2.576407     -2.624593      3.711283
  C      -2.033668     -2.082545      4.812383
  C      -0.689246     -1.595718      5.007863
  O      -0.301958     -0.932036      5.937596
  Cl      0.555930     -2.283265      3.829653
  C      -5.912175     -5.891748      4.866021
  C      -6.713908     -6.759878      5.644100
  C      -7.988103     -6.368993      6.014832
  C      -8.505155     -5.118788      5.618784
  C      -7.727070     -4.238544      4.886319
  C      -6.410365     -4.593947      4.533372
  N      -5.538472     -3.790949      3.798579
  C      -5.850804     -2.485963      3.668774
  C      -5.506344     -1.719857      2.509860
  O      -5.206927     -2.104025      1.400503
  Cl     -5.681233      0.067869      2.836237
  C      -1.378102     -5.126192      5.644233
  C      -0.111777     -5.464010      6.192744
  C       0.187045     -5.110532      7.491208
  C      -0.746111     -4.398655      8.284608
  C      -1.993335     -4.092282      7.789235
  C      -2.353305     -4.496308      6.480776
  N      -3.558632     -4.221490      5.887249
  C      -4.634514     -3.859366      6.601012
  C      -4.999440     -4.433921      7.877525
  O      -4.516030     -5.361007      8.481035
  Cl     -6.488196     -3.592265      8.525425
  H      -2.510058     -3.109872     -0.805052
  H      -1.550538     -0.877971     -1.135329
  H      -1.176267      0.652027      0.796535
  H      -1.675299     -0.114079      3.103819
  H      -2.613715     -2.097972      5.732360
  H      -6.327116     -7.726213      5.964319
  H      -8.600777     -7.039588      6.618373
  H      -9.522685     -4.840736      5.893986
  H      -8.139413     -3.281145      4.570043
  H      -6.508727     -2.008386      4.397670
  H       0.640460     -5.953782      5.577642
  H       1.172909     -5.339922      7.897282
  H      -0.463903     -4.066275      9.283623
  H      -2.693309     -3.506460      8.382160
  H      -5.354797     -3.187648      6.148947
  N      -6.306211     -5.572094      1.910775
  N      -6.998501     -5.714522      0.649353
  H      -7.201645     -6.707318      0.431653
  H      -7.931787     -5.279068      0.755358
  H      -6.549989     -5.285234     -0.185979
76
Coordinates from ORCA-job orca E -7354.110450814449
  N      -3.172284     -4.122375      1.707526
  C      -3.496560     -5.020782      0.603906
  C      -3.690417     -6.440737      1.126044
  N      -3.017020     -6.538575      2.444011
  C      -3.425797     -7.791298      3.165609
  C      -4.023282     -7.448517      4.529006
  N      -4.670897     -6.158984      4.379665
  Mo     -3.537077     -4.638843      3.654839
  N      -1.742290     -5.345335      4.367343
  C      -0.848923     -6.162816      3.548080
  C      -1.539300     -6.471355      2.236120
  H      -0.599059     -7.085797      4.097872
  H       0.096999     -5.632538      3.349910
  H      -1.187790     -7.423260      1.808263
  H      -1.336862     -5.677897      1.510693
  H      -4.735025     -8.230780      4.825606
  H      -3.245173     -7.390123      5.306153
  H      -4.181667     -8.295797      2.552054
  H      -2.562477     -8.462431      3.261458
  H      -2.674871     -4.998660     -0.127807
  H      -4.399461     -4.657529      0.087545
  H      -3.233833     -7.167896      0.432017
  H      -4.753966     -6.694774      1.250052
  C      -2.575346     -2.939106      1.377802
  C      -2.286742     -2.487021      0.068650
  C      -1.759768     -1.220531     -0.116417
  C      -1.533336     -0.357921      0.976852
  C      -1.791991     -0.785914      2.264189
  C      -2.259970     -2.098717      2.481675
  N      -2.561731     -2.625829      3.718907
  C      -2.017261     -2.087565      4.819852
  C      -0.673978     -1.594579      5.013191
  O      -0.289013     -0.926736      5.940653
  Cl      0.571749     -2.278163      3.834140
  C      -5.910004     -5.890893      4.859014
  C      -6.714824     -6.756030      5.637343
  C      -7.988519     -6.360955      6.004850
  C      -8.502210     -5.110565      5.604502
  C      -7.721716     -4.233939      4.870336
  C      -6.405165     -4.593384      4.520666
  N      -5.529492     -3.797065      3.784575
  C      -5.838885     -2.491061      3.647690
  C      -5.505358     -1.736613      2.479051
  O      -5.216431     -2.131242      1.370169
  Cl     -5.681763      0.054504      2.788173
  C      -1.367496     -5.123202      5.650173
  C      -0.100584     -5.456121      6.199329
  C       0.195640     -5.100776      7.498050
  C      -0.741499     -4.392584      8.289944
  C      -1.989626     -4.090828      7.793404
  C      -2.346168     -4.495858      6.484509
  N      -3.551901     -4.226718      5.888455
  C      -4.631448     -3.869916      6.601100
  C      -4.996692     -4.449779      7.874193
  O      -4.517046     -5.383521      8.470825
  Cl     -6.506720     -3.634411      8.507585
  H      -2.518284     -3.101457     -0.798791
  H      -1.560296     -0.868423     -1.129342
  H      -1.178651      0.658060      0.803510
  H      -1.666777     -0.112173      3.111344
  H      -2.594110     -2.109465      5.741782
  H      -6.330365     -7.722127      5.961125
  H      -8.603715     -7.028147      6.609602
  H      -9.519539     -4.829828      5.877768
  H      -8.131250     -3.276539      4.550350
  H      -6.491794     -2.007655      4.377263
  H       0.653401     -5.944101      5.584814
  H       1.181731     -5.326386      7.905632
  H      -0.462023     -4.059768      9.289605
  H      -2.692942     -3.508721      8.386131
  H      -5.353375     -3.200683      6.148068
  N      -6.364093     -5.591233      1.912780
  N      -7.058424     -5.717725      0.652410
  H      -7.253713     -6.709065      0.422234
  H      -7.992829     -5.284995      0.760123
  H      -6.603216     -5.274006     -0.171016
76
Coordinates from ORCA-job orca E -7354.111825166990
  N      -3.164613     -4.119360      1.714667
  C      -3.500213     -5.014255      0.611641
  C      -3.687398     -6.435140      1.133104
  N      -3.009758     -6.537112      2.448786
  C      -3.418900     -7.791831      3.167356
  C      -4.019499     -7.449211      4.529155
  N      -4.668406     -6.160747      4.374441
  Mo     -3.524213     -4.642143      3.661508
  N      -1.732343     -5.346756      4.373069
  C      -0.841706     -6.168116      3.553978
  C      -1.532086     -6.469966      2.239923
  H      -0.598808     -7.093350      4.103190
  H       0.107904     -5.643674      3.358255
  H      -1.180462     -7.419515      1.806974
  H      -1.330464     -5.672225      1.518890
  H      -4.729873     -8.232164      4.827147
  H      -3.242353     -7.386790      5.306944
  H      -4.173874     -8.294892      2.551581
  H      -2.555756     -8.463051      3.263480
  H      -2.688378     -4.988119     -0.130545
  H      -4.412909     -4.651476      0.112152
  H      -3.234268     -7.162006      0.436592
  H      -4.751087     -6.689122      1.255212
  C      -2.570000     -2.935152      1.385570
  C      -2.287201     -2.479491      0.076329
  C      -1.761152     -1.212596     -0.107884
  C      -1.530812     -0.352432      0.986532
  C      -1.784586     -0.783372      2.273869
  C      -2.251562     -2.096693      2.490239
  N      -2.548523     -2.626288      3.727520
  C      -2.002048     -2.090856      4.827495
  C      -0.661060     -1.587674      5.015425
  O      -0.277078     -0.919975      5.943125
  Cl      0.583497     -2.266351      3.833774
  C      -5.907402     -5.890917      4.852301
  C      -6.714052     -6.753246      5.632006
  C      -7.985948     -6.353603      6.000220
  C      -8.496391     -5.102123      5.598420
  C      -7.714838     -4.229234      4.861161
  C      -6.399657     -4.593213      4.510548
  N      -5.522456     -3.803800      3.770366
  C      -5.829499     -2.497295      3.625830
  C      -5.508127     -1.755846      2.446474
  O      -5.226017     -2.162154      1.339670
  Cl     -5.685786      0.038883      2.736232
  C      -1.358441     -5.122163      5.656196
  C      -0.091277     -5.450577      6.206400
  C       0.202182     -5.093108      7.505284
  C      -0.738547     -4.387459      8.294976
  C      -1.987276     -4.089755      7.796885
  C      -2.341002     -4.496898      6.487918
  N      -3.547116     -4.233501      5.887872
  C      -4.632870     -3.881860      6.595895
  C      -5.005336     -4.468329      7.863052
  O      -4.521659     -5.397249      8.464392
  Cl     -6.516222     -3.652742      8.495730
  H      -2.522859     -3.091926     -0.791385
  H      -1.565578     -0.858000     -1.120688
  H      -1.177124      0.664045      0.814127
  H      -1.656498     -0.111153      3.121842
  H      -2.573830     -2.120471      5.752370
  H      -6.331782     -7.719572      5.957695
  H      -8.602340     -7.017627      6.607235
  H      -9.512415     -4.817957      5.873053
  H      -8.121941     -3.271263      4.539663
  H      -6.476233     -2.007016      4.356295
  H       0.664549     -5.937010      5.592786
  H       1.188415     -5.314950      7.914521
  H      -0.461661     -4.053456      9.294977
  H      -2.692737     -3.509829      8.388854
  H      -5.354936     -3.215375      6.138534
  N      -6.418327     -5.613694      1.911399
  N      -7.118503     -5.722472      0.653566
  H      -7.306766     -6.711491      0.408908
  H      -8.054357     -5.293200      0.763150
  H      -6.659942     -5.264071     -0.159435
76
Coordinates from ORCA-job orca E -7354.113023571928
  N      -3.154789     -4.116354      1.722837
  C      -3.503216     -5.007526      0.620797
  C      -3.684388     -6.429382      1.141445
  N      -3.002191     -6.535733      2.454280
  C      -3.411432     -7.791919      3.170398
  C      -4.016418     -7.449256      4.529940
  N      -4.665608     -6.161454      4.369943
  Mo     -3.511191     -4.644111      3.668910
  N      -1.721887     -5.348408      4.378423
  C      -0.834341     -6.173395      3.559201
  C      -1.524964     -6.468870      2.243678
  H      -0.598265     -7.100792      4.107810
  H       0.118873     -5.654875      3.365624
  H      -1.173248     -7.416299      1.806165
  H      -1.324240     -5.667399      1.526444
  H      -4.726315     -8.232577      4.828058
  H      -3.241222     -7.383753      5.309467
  H      -4.164243     -8.294921      2.551960
  H      -2.547978     -8.462355      3.268486
  H      -2.702140     -4.977979     -0.132573
  H      -4.425727     -4.644964      0.139344
  H      -3.235811     -7.156715      0.442479
  H      -4.748343     -6.682239      1.262410
  C      -2.563024     -2.930924      1.394114
  C      -2.285901     -2.472196      0.084642
  C      -1.762734     -1.204217     -0.099514
  C      -1.531079     -0.345033      0.995405
  C      -1.780310     -0.778342      2.282792
  C      -2.243462     -2.093095      2.499107
  N      -2.535875     -2.624440      3.736893
  C      -1.988629     -2.091779      4.836387
  C      -0.649264     -1.580977      5.022577
  O      -0.269704     -0.906545      5.946973
  Cl      0.597188     -2.254510      3.841576
  C      -5.905830     -5.891192      4.843483
  C      -6.715265     -6.752387      5.621766
  C      -7.987207     -6.350823      5.986932
  C      -8.495443     -5.099071      5.582368
  C      -7.712086     -4.228455      4.844781
  C      -6.396320     -4.594200      4.497223
  N      -5.517158     -3.809869      3.755514
  C      -5.823228     -2.503523      3.601266
  C      -5.513691     -1.777128      2.410171
  O      -5.240237     -2.197241      1.306001
  Cl     -5.704386      0.020618      2.674414
  C      -1.348063     -5.123335      5.661880
  C      -0.081264     -5.450000      6.212807
  C       0.209498     -5.093686      7.512857
  C      -0.734568     -4.392117      8.301922
  C      -1.983240     -4.095486      7.802166
  C      -2.332891     -4.499516      6.491474
  N      -3.537825     -4.237246      5.888113
  C      -4.623370     -3.882141      6.596608
  C      -4.992700     -4.464079      7.865721
  O      -4.512280     -5.396020      8.465314
  Cl     -6.507667     -3.652087      8.494879
  H      -2.524223     -3.083583     -0.783037
  H      -1.571156     -0.847705     -1.112397
  H      -1.180388      0.672532      0.823365
  H      -1.651856     -0.106442      3.130960
  H      -2.557328     -2.127613      5.762882
  H      -6.334647     -7.718537      5.949901
  H      -8.605353     -7.013076      6.594070
  H      -9.511334     -4.813101      5.855606
  H      -8.117664     -3.270544      4.521168
  H      -6.464488     -2.005262      4.331187
  H       0.675767     -5.935094      5.599486
  H       1.195240     -5.314479      7.923778
  H      -0.460931     -4.060886      9.303751
  H      -2.691750     -3.520127      8.395228
  H      -5.343029     -3.212827      6.139905
  N      -6.469956     -5.637581      1.910204
  N      -7.180013     -5.727559      0.656746
  H      -7.363172     -6.713435      0.396634
  H      -8.117135     -5.301599      0.769724
  H      -6.722071     -5.255340     -0.148515
76
Coordinates from ORCA-job orca E -7354.114084584520
  N      -3.143562     -4.113433      1.730620
  C      -3.503975     -4.999840      0.628818
  C      -3.679743     -6.423406      1.147021
  N      -2.993904     -6.535531      2.457227
  C      -3.404052     -7.793278      3.170124
  C      -4.014728     -7.451471      4.527188
  N      -4.662809     -6.163341      4.364168
  Mo     -3.499025     -4.647159      3.674859
  N      -1.712137     -5.351222      4.382874
  C      -0.826871     -6.179441      3.563966
  C      -1.516881     -6.468977      2.246438
  H      -0.597394     -7.108885      4.111995
  H       0.129812     -5.666447      3.373112
  H      -1.164764     -7.414413      1.804889
  H      -1.316163     -5.664123      1.532937
  H      -4.725157     -8.234814      4.823878
  H      -3.241885     -7.385056      5.309013
  H      -4.153328     -8.296821      2.547836
  H      -2.540054     -8.462444      3.271506
  H      -2.713621     -4.966259     -0.135356
  H      -4.435453     -4.636968      0.165391
  H      -3.235531     -7.150716      0.445187
  H      -4.744042     -6.674349      1.266738
  C      -2.555725     -2.925799      1.403459
  C      -2.283545     -2.462968      0.094308
  C      -1.763826     -1.193482     -0.088610
  C      -1.531805     -0.335929      1.007548
  C      -1.777194     -0.772666      2.294477
  C      -2.236580     -2.089042      2.509418
  N      -2.525146     -2.622840      3.747195
  C      -1.976645     -2.093640      4.846344
  C      -0.639433     -1.573484      5.029567
  O      -0.263465     -0.896137      5.953070
  Cl      0.607929     -2.240118      3.847552
  C      -5.902271     -5.890467      4.838315
  C      -6.712307     -6.748671      5.619431
  C      -7.981444     -6.342351      5.988549
  C      -8.486971     -5.089149      5.584069
  C      -7.704029     -4.222766      4.841547
  C      -6.390406     -4.593175      4.489910
  N      -5.512767     -3.816407      3.740665
  C      -5.817693     -2.510932      3.572992
  C      -5.519596     -1.804027      2.367643
  O      -5.246157     -2.241781      1.269975
  Cl     -5.709995     -0.001894      2.602739
  C      -1.339662     -5.124968      5.667104
  C      -0.073488     -5.449614      6.219667
  C       0.214531     -5.092387      7.520264
  C      -0.732235     -4.392208      8.306990
  C      -1.980682     -4.097008      7.805036
  C      -2.327322     -4.501516      6.493847
  N      -3.531706     -4.242856      5.886074
  C      -4.621890     -3.888826      6.590136
  C      -4.997768     -4.472918      7.855487
  O      -4.516857     -5.401817      8.459755
  Cl     -6.513291     -3.658162      8.481611
  H      -2.523136     -3.072954     -0.773972
  H      -1.575655     -0.834449     -1.101232
  H      -1.184284      0.682948      0.836881
  H      -1.648987     -0.101795      3.143515
  H      -2.540825     -2.138040      5.775297
  H      -6.333629     -7.715323      5.948316
  H      -8.599457     -7.001541      6.599137
  H      -9.500607     -4.799088      5.861383
  H      -8.107892     -3.264123      4.517793
  H      -6.451754     -2.001400      4.301474
  H       0.684820     -5.934429      5.607615
  H       1.199750     -5.311640      7.933226
  H      -0.461421     -4.061153      9.309662
  H      -2.690738     -3.523267      8.397642
  H      -5.340245     -3.221189      6.128552
  N      -6.517535     -5.663583      1.904098
  N      -7.240372     -5.732971      0.656675
  H      -7.420278     -6.714744      0.379645
  H      -8.178416     -5.310246      0.775837
  H      -6.787218     -5.247189     -0.143317
76
Coordinates from ORCA-job orca E -7354.115006567262
  N      -3.130443     -4.110396      1.739123
  C      -3.502830     -4.991666      0.637691
  C      -3.674958     -6.416797      1.152830
  N      -2.985462     -6.534875      2.459971
  C      -3.395923     -7.793884      3.170082
  C      -4.012767     -7.453315      4.524404
  N      -4.658994     -6.164515      4.359238
  Mo     -3.487529     -4.648978      3.680729
  N      -1.702428     -5.353839      4.386346
  C      -0.819209     -6.184395      3.567464
  C      -1.508927     -6.468576      2.248487
  H      -0.595365     -7.115735      4.114678
  H       0.140466     -5.676225      3.379075
  H      -1.156668     -7.412267      1.803289
  H      -1.308427     -5.660809      1.538167
  H      -4.724597     -8.236489      4.818127
  H      -3.242956     -7.387313      5.309318
  H      -4.140641     -8.299114      2.543725
  H      -2.530847     -8.460918      3.275671
  H      -2.722864     -4.954961     -0.136667
  H      -4.441871     -4.627240      0.191408
  H      -3.235248     -7.143808      0.447929
  H      -4.739795     -6.664286      1.272058
  C      -2.544921     -2.921294      1.413548
  C      -2.274633     -2.455765      0.104913
  C      -1.757084     -1.185310     -0.076802
  C      -1.526223     -0.328606      1.020288
  C      -1.770750     -0.767471      2.306612
  C      -2.227894     -2.084828      2.520189
  N      -2.515728     -2.619454      3.757741
  C      -1.967205     -2.092489      4.856460
  C      -0.632443     -1.562898      5.037312
  O      -0.260618     -0.883422      5.960685
  Cl      0.616944     -2.227239      3.858425
  C      -5.898265     -5.890297      4.832833
  C      -6.708858     -6.746835      5.615239
  C      -7.976549     -6.338017      5.985954
  C      -8.480619     -5.084167      5.580913
  C      -7.698095     -4.220569      4.835242
  C      -6.385386     -4.593468      4.481676
  N      -5.509659     -3.822656      3.726735
  C      -5.815206     -2.518520      3.546187
  C      -5.534931     -1.831282      2.325478
  O      -5.283831     -2.287293      1.229653
  Cl     -5.753565     -0.028171      2.526301
  C      -1.331001     -5.128448      5.671534
  C      -0.065837     -5.453492      6.225261
  C       0.220231     -5.097227      7.526735
  C      -0.727943     -4.397820      8.312004
  C      -1.975676     -4.101563      7.808199
  C      -2.320055     -4.504787      6.496248
  N      -3.523145     -4.246254      5.884770
  C      -4.614831     -3.887318      6.585910
  C      -4.996131     -4.468561      7.850138
  O      -4.520408     -5.398394      8.457283
  Cl     -6.508096     -3.644250      8.474071
  H      -2.513932     -3.064930     -0.763948
  H      -1.569983     -0.824904     -1.089096
  H      -1.180662      0.691113      0.850875
  H      -1.643870     -0.097186      3.156349
  H      -2.527822     -2.143802      5.787183
  H      -6.331211     -7.713542      5.945081
  H      -8.594450     -6.995289      6.598659
  H      -9.492842     -4.791601      5.860676
  H      -8.101109     -3.261690      4.511166
  H      -6.440856     -1.998543      4.274586
  H       0.692929     -5.938546      5.613931
  H       1.204596     -5.317051      7.941323
  H      -0.459410     -4.068454      9.315835
  H      -2.686467     -3.529074      8.401003
  H      -5.328689     -3.217097      6.121115
  N      -6.563005     -5.689559      1.897024
  N      -7.301586     -5.736901      0.658530
  H      -7.480557     -6.713555      0.364646
  H      -8.239416     -5.316690      0.788019
  H      -6.857551     -5.238705     -0.139046
76
Coordinates from ORCA-job orca E -7354.115816797946
  N      -3.118705     -4.108144      1.747737
  C      -3.501807     -4.985180      0.646737
  C      -3.670636     -6.412111      1.159467
  N      -2.976805     -6.535679      2.463508
  C      -3.387316     -7.795500      3.172118
  C      -4.011178     -7.455789      4.523611
  N      -4.654998     -6.165914      4.356468
  Mo     -3.476824     -4.651554      3.686584
  N      -1.692620     -5.356790      4.389382
  C      -0.811041     -6.189482      3.570780
  C      -1.500745     -6.469802      2.250891
  H      -0.591765     -7.122203      4.117610
  H       0.151122     -5.685407      3.384247
  H      -1.148633     -7.412313      1.802984
  H      -1.300477     -5.660013      1.542770
  H      -4.725275     -8.238454      4.813258
  H      -3.245075     -7.391062      5.312345
  H      -4.126675     -8.303632      2.541678
  H      -2.520779     -8.459780      3.282973
  H      -2.731945     -4.945533     -0.137420
  H      -4.447707     -4.619464      0.216097
  H      -3.235193     -7.138806      0.451327
  H      -4.736761     -6.655256      1.279435
  C      -2.539567     -2.915500      1.423112
  C      -2.275003     -2.445890      0.114704
  C      -1.763757     -1.172733     -0.066142
  C      -1.534586     -0.316685      1.031857
  C      -1.774668     -0.759017      2.317859
  C      -2.225125     -2.078952      2.530283
  N      -2.508624     -2.616109      3.768060
  C      -1.959093     -2.091226      4.866132
  C      -0.626722     -1.551896      5.044450
  O      -0.260328     -0.865381      5.964677
  Cl      0.624743     -2.207828      3.864989
  C      -5.894950     -5.890337      4.827708
  C      -6.707177     -6.744972      5.610538
  C      -7.974731     -6.334222      5.979460
  C      -8.477505     -5.080590      5.571354
  C      -7.694370     -4.219761      4.823448
  C      -6.381466     -4.594588      4.471310
  N      -5.506057     -3.829485      3.712836
  C      -5.810774     -2.526762      3.515828
  C      -5.529097     -1.857886      2.285157
  O      -5.252217     -2.329086      1.201582
  Cl     -5.735512     -0.050591      2.459691
  C      -1.322170     -5.132374      5.675736
  C      -0.058225     -5.458540      6.230892
  C       0.225738     -5.104093      7.533601
  C      -0.723846     -4.405787      8.317828
  C      -1.970656     -4.107764      7.811993
  C      -2.312306     -4.508359      6.498743
  N      -3.514009     -4.249097      5.884036
  C      -4.606519     -3.884441      6.582768
  C      -4.991077     -4.460513      7.847676
  O      -4.521684     -5.392760      8.456395
  Cl     -6.503735     -3.631663      8.465650
  H      -2.513532     -3.054604     -0.754695
  H      -1.580674     -0.809968     -1.078362
  H      -1.194364      0.705051      0.863568
  H      -1.649768     -0.089285      3.168392
  H      -2.515491     -2.149688      5.798889
  H      -6.330528     -7.711206      5.943059
  H      -8.593491     -6.989478      6.593512
  H      -9.489243     -4.786080      5.851010
  H      -8.096415     -3.261112      4.497302
  H      -6.433298     -1.994989      4.238406
  H       0.701007     -5.943963      5.620294
  H       1.209063     -5.325355      7.949966
  H      -0.457842     -4.079057      9.323252
  H      -2.682597     -3.537083      8.405309
  H      -5.316273     -3.212002      6.114840
  N      -6.606784     -5.718153      1.891013
  N      -7.364850     -5.742846      0.663674
  H      -7.545395     -6.714567      0.353691
  H      -8.301899     -5.324102      0.807378
  H      -6.933305     -5.233335     -0.134513
76
Coordinates from ORCA-job orca E -7354.116532960860
  N      -3.105000     -4.106197      1.753441
  C      -3.497454     -4.979395      0.652767
  C      -3.664092     -6.407203      1.163262
  N      -2.967111     -6.535598      2.464533
  C      -3.377354     -7.796282      3.171278
  C      -4.008668     -7.458129      4.519533
  N      -4.649888     -6.167039      4.351582
  Mo     -3.466958     -4.653427      3.689125
  N      -1.683479     -5.358101      4.390763
  C      -0.802301     -6.192044      3.572931
  C      -1.491329     -6.469639      2.251837
  H      -0.586456     -7.125734      4.119523
  H       0.161693     -5.690776      3.388496
  H      -1.139094     -7.411160      1.801936
  H      -1.291156     -5.658229      1.545539
  H      -4.725377     -8.240243      4.804125
  H      -3.246529     -7.395628      5.312279
  H      -4.110428     -8.307998      2.536405
  H      -2.508831     -8.456934      3.287843
  H      -2.736135     -4.937549     -0.139422
  H      -4.449192     -4.612852      0.234660
  H      -3.232009     -7.133079      0.452392
  H      -4.731337     -6.644799      1.283461
  C      -2.528563     -2.911911      1.430185
  C      -2.264065     -2.440799      0.122310
  C      -1.756069     -1.166236     -0.057501
  C      -1.531092     -0.309733      1.040981
  C      -1.771866     -0.753189      2.326484
  C      -2.218286     -2.074648      2.537959
  N      -2.502263     -2.612489      3.775613
  C      -1.953818     -2.089668      4.874114
  C      -0.623182     -1.544084      5.053370
  O      -0.263209     -0.850774      5.970850
  Cl      0.632643     -2.198854      3.879696
  C      -5.888788     -5.889351      4.824338
  C      -6.700298     -6.741023      5.611018
  C      -7.965317     -6.326381      5.984096
  C      -8.466614     -5.072063      5.575871
  C      -7.685039     -4.214998      4.822350
  C      -6.374384     -4.593885      4.465207
  N      -5.502335     -3.835936      3.698545
  C      -5.807666     -2.534054      3.492226
  C      -5.541160     -1.877403      2.251892
  O      -5.279098     -2.358750      1.168937
  Cl     -5.764588     -0.070499      2.406854
  C      -1.315575     -5.134832      5.678700
  C      -0.053514     -5.462235      6.236769
  C       0.226691     -5.110298      7.541180
  C      -0.725146     -4.413470      8.323671
  C      -1.970370     -4.113554      7.814546
  C      -2.307753     -4.511025      6.499436
  N      -3.507520     -4.251600      5.880659
  C      -4.603740     -3.885006      6.573768
  C      -4.994714     -4.458664      7.837136
  O      -4.525659     -5.386752      8.452569
  Cl     -6.508293     -3.625599      8.448596
  H      -2.499918     -3.049798     -0.747553
  H      -1.572847     -0.802809     -1.069428
  H      -1.193871      0.713116      0.873547
  H      -1.650701     -0.083089      3.177232
  H      -2.508716     -2.153437      5.807457
  H      -6.324322     -7.707099      5.944690
  H      -8.583135     -6.978769      6.602106
  H      -9.476129     -4.774258      5.860023
  H      -8.085985     -3.255942      4.496035
  H      -6.421163     -1.994820      4.217007
  H       0.706963     -5.947686      5.627734
  H       1.208420     -5.333238      7.960338
  H      -0.462775     -4.089760      9.331021
  H      -2.684078     -3.544801      8.407567
  H      -5.311472     -3.214810      6.099156
  N      -6.648230     -5.747259      1.878699
  N      -7.426462     -5.748434      0.665019
  H      -7.609545     -6.714466      0.340269
  H      -8.361122     -5.330855      0.827076
  H      -7.008365     -5.228559     -0.133927
76
Coordinates from ORCA-job orca E -7354.117158057137
  N      -3.093351     -4.104134      1.760040
  C      -3.494050     -4.974660      0.659963
  C      -3.658853     -6.403171      1.169547
  N      -2.957576     -6.535224      2.468025
  C      -3.366193     -7.796581      3.174265
  C      -4.005236     -7.459917      4.519457
  N      -4.644079     -6.167646      4.350706
  Mo     -3.458103     -4.654775      3.692978
  N      -1.674656     -5.359307      4.392937
  C      -0.793395     -6.193250      3.575240
  C      -1.482355     -6.469073      2.253708
  H      -0.579078     -7.127586      4.121358
  H       0.171443     -5.693159      3.392112
  H      -1.130491     -7.410010      1.802309
  H      -1.282891     -5.656646      1.548366
  H      -4.725109     -8.241386      4.797855
  H      -3.247724     -7.400122      5.316862
  H      -4.092483     -8.313191      2.535509
  H      -2.494974     -8.452562      3.296789
  H      -2.740508     -4.930901     -0.139437
  H      -4.450787     -4.608083      0.252125
  H      -3.230151     -7.128138      0.455766
  H      -4.727840     -6.633952      1.291637
  C      -2.521072     -2.907653      1.437355
  C      -2.258057     -2.434819      0.129833
  C      -1.752757     -1.158989     -0.048920
  C      -1.529274     -0.302994      1.050232
  C      -1.769237     -0.747888      2.335512
  C      -2.213529     -2.070150      2.545713
  N      -2.497274     -2.608714      3.783236
  C      -1.947485     -2.087255      4.880881
  C      -0.619463     -1.532335      5.055621
  O      -0.261272     -0.839245      5.973822
  Cl      0.636536     -2.185805      3.882994
  C      -5.884414     -5.890353      4.819751
  C      -6.697363     -6.741239      5.605650
  C      -7.963707     -6.326623      5.974252
  C      -8.464921     -5.073665      5.561756
  C      -7.682542     -4.217866      4.807734
  C      -6.370421     -4.596586      4.454859
  N      -5.497764     -3.842570      3.686816
  C      -5.803822     -2.541376      3.471384
  C      -5.541220     -1.892261      2.226610
  O      -5.281204     -2.379258      1.145508
  Cl     -5.779060     -0.086274      2.368750
  C      -1.308406     -5.138532      5.682185
  C      -0.047794     -5.468425      6.241591
  C       0.230997     -5.118739      7.547031
  C      -0.720679     -4.420914      8.328559
  C      -1.964604     -4.117891      7.817711
  C      -2.300914     -4.514224      6.502019
  N      -3.499286     -4.252679      5.880946
  C      -4.596621     -3.879077      6.569491
  C      -4.996633     -4.448363      7.831723
  O      -4.537154     -5.379323      8.450206
  Cl     -6.504889     -3.601340      8.438020
  H      -2.492000     -3.043901     -0.740466
  H      -1.570064     -0.794588     -1.060594
  H      -1.193772      0.720582      0.883702
  H      -1.649145     -0.078239      3.186828
  H      -2.497681     -2.157391      5.816653
  H      -6.321304     -7.706163      5.942593
  H      -8.582760     -6.977953      6.592154
  H      -9.475193     -4.775913      5.843325
  H      -8.083252     -3.259885      4.478012
  H      -6.412763     -1.996594      4.195926
  H       0.712750     -5.954513      5.633082
  H       1.211586     -5.344203      7.967525
  H      -0.459660     -4.099138      9.336898
  H      -2.677936     -3.548555      8.410352
  H      -5.298120     -3.205775      6.090266
  N      -6.689042     -5.777491      1.870576
  N      -7.491192     -5.753450      0.673659
  H      -7.679554     -6.714090      0.336276
  H      -8.421935     -5.335880      0.858466
  H      -7.087805     -5.224530     -0.127397
76
Coordinates from ORCA-job orca E -7354.117745585470
  N      -3.081085     -4.102245      1.762860
  C      -3.486746     -4.971499      0.663467
  C      -3.651875     -6.400223      1.173431
  N      -2.947090     -6.534212      2.469993
  C      -3.353864     -7.796012      3.176392
  C      -4.000594     -7.460543      4.518592
  N      -4.637304     -6.167146      4.349428
  Mo     -3.450441     -4.655160      3.693373
  N      -1.666611     -5.358619      4.393716
  C      -0.783968     -6.191661      3.576598
  C      -1.472326     -6.467536      2.254562
  H      -0.569509     -7.126025      4.122569
  H       0.180752     -5.690928      3.394619
  H      -1.120648     -7.408409      1.802940
  H      -1.273459     -5.655014      1.549162
  H      -4.723784     -8.241131      4.790782
  H      -3.247546     -7.403598      5.320401
  H      -4.073074     -8.318211      2.534122
  H      -2.479658     -8.446751      3.305192
  H      -2.738087     -4.926826     -0.140405
  H      -4.445865     -4.604874      0.261175
  H      -3.226008     -7.124563      0.457582
  H      -4.722952     -6.622943      1.298305
  C      -2.512249     -2.904166      1.440523
  C      -2.249394     -2.430850      0.133221
  C      -1.748241     -1.153266     -0.044946
  C      -1.529457     -0.296328      1.054297
  C      -1.769539     -0.741699      2.339513
  C      -2.208829     -2.065596      2.549272
  N      -2.493255     -2.604809      3.786673
  C      -1.944613     -2.084164      4.884773
  C      -0.617537     -1.525992      5.060879
  O      -0.264913     -0.823667      5.974068
  Cl      0.642533     -2.180625      3.893947
  C      -5.878116     -5.889321      4.817120
  C      -6.691072     -6.737783      5.605366
  C      -7.957033     -6.321091      5.973221
  C      -8.457808     -5.069237      5.557074
  C      -7.675883     -4.216262      4.799329
  C      -6.363964     -4.596768      4.447292
  N      -5.491829     -3.848152      3.674437
  C      -5.799600     -2.547748      3.451715
  C      -5.544876     -1.903142      2.203349
  O      -5.288003     -2.392392      1.122434
  Cl     -5.780409     -0.096606      2.342406
  C      -1.303520     -5.140666      5.684698
  C      -0.045104     -5.473440      6.247170
  C       0.229597     -5.129000      7.554975
  C      -0.724112     -4.433682      8.336160
  C      -1.965986     -4.127201      7.822152
  C      -2.297669     -4.517520      6.503544
  N      -3.493678     -4.252992      5.879743
  C      -4.593920     -3.878186      6.562859
  C      -4.998387     -4.443597      7.825209
  O      -4.539753     -5.371510      8.448883
  Cl     -6.510934     -3.597224      8.421930
  H      -2.479979     -3.041012     -0.737190
  H      -1.565616     -0.788349     -1.056437
  H      -1.197486      0.728450      0.888050
  H      -1.653388     -0.071174      3.190662
  H      -2.494562     -2.156746      5.820425
  H      -6.314878     -7.701503      5.945564
  H      -8.576252     -6.969997      6.593507
  H      -9.467718     -4.770217      5.838646
  H      -8.076086     -3.259214      4.466249
  H      -6.402579     -1.999274      4.178521
  H       0.716886     -5.958591      5.639719
  H       1.208308     -5.357732      7.978076
  H      -0.466683     -4.117035      9.347040
  H      -2.681385     -3.560469      8.414873
  H      -5.294129     -3.207441      6.077884
  N      -6.725112     -5.809363      1.859016
  N      -7.554760     -5.758774      0.682091
  H      -7.750928     -6.714228      0.335083
  H      -8.479755     -5.340498      0.892890
  H      -7.167187     -5.222598     -0.122022
76
Coordinates from ORCA-job orca E -7354.118313193357
  N      -3.070812     -4.100453      1.764530
  C      -3.477961     -4.969809      0.665665
  C      -3.646131     -6.398216      1.177658
  N      -2.937328     -6.532490      2.472773
  C      -3.341364     -7.794826      3.180138
  C      -3.994876     -7.460735      4.519959
  N      -4.630227     -6.166626      4.350415
  Mo     -3.444462     -4.655259      3.693422
  N      -1.660028     -5.358013      4.395239
  C      -0.775076     -6.188464      3.577912
  C      -1.463048     -6.465090      2.255596
  H      -0.558395     -7.122648      4.123222
  H       0.188384     -5.685011      3.396622
  H      -1.111600     -7.406136      1.804203
  H      -1.265006     -5.652907      1.549616
  H      -4.721104     -8.240587      4.786153
  H      -3.245934     -7.406411      5.325753
  H      -4.054129     -8.322746      2.535303
  H      -2.463932     -8.440071      3.314358
  H      -2.730749     -4.925832     -0.139645
  H      -4.436608     -4.602381      0.263661
  H      -3.223657     -7.122910      0.460455
  H      -4.719334     -6.611660      1.307410
  C      -2.505528     -2.900745      1.442521
  C      -2.243204     -2.426631      0.135465
  C      -1.745020     -1.147668     -0.041640
  C      -1.528758     -0.290941      1.058157
  C      -1.768606     -0.737117      2.343322
  C      -2.205309     -2.061884      2.552027
  N      -2.489951     -2.602508      3.788937
  C      -1.940383     -2.083122      4.887123
  C      -0.614608     -1.520741      5.060845
  O      -0.262317     -0.817445      5.973334
  Cl      0.645412     -2.175262      3.893727
  C      -5.873338     -5.890111      4.813016
  C      -6.687804     -6.737574      5.600477
  C      -7.955747     -6.321144      5.962228
  C      -8.456512     -5.071380      5.540307
  C      -7.673165     -4.219524      4.782447
  C      -6.359495     -4.599542      4.436841
  N      -5.484238     -3.853294      3.664872
  C      -5.793353     -2.553065      3.437860
  C      -5.535523     -1.906794      2.191374
  O      -5.275817     -2.393422      1.109942
  Cl     -5.779374     -0.101270      2.332558
  C      -1.299828     -5.142983      5.687560
  C      -0.042829     -5.478000      6.252062
  C       0.229649     -5.136702      7.561123
  C      -0.724546     -4.441661      8.341996
  C      -1.964998     -4.132588      7.826143
  C      -2.294823     -4.520433      6.506228
  N      -3.489311     -4.252895      5.881218
  C      -4.591451     -3.875447      6.558895
  C      -5.003070     -4.437099      7.820890
  O      -4.549677     -5.364973      8.448415
  Cl     -6.515220     -3.584791      8.409464
  H      -2.471347     -3.037351     -0.735208
  H      -1.562475     -0.781738     -1.052793
  H      -1.198709      0.734592      0.892547
  H      -1.654202     -0.066530      3.194670
  H      -2.487736     -2.159869      5.824074
  H      -6.311222     -7.699598      5.945090
  H      -8.576616     -6.968755      6.582251
  H      -9.467839     -4.772961      5.817513
  H      -8.073012     -3.263980      4.444548
  H      -6.395693     -2.004360      4.165165
  H       0.720112     -5.962398      5.645185
  H       1.207272     -5.367679      7.985596
  H      -0.468637     -4.127496      9.354051
  H      -2.680877     -3.565952      8.418237
  H      -5.288611     -3.205006      6.069093
  N      -6.757592     -5.842240      1.850962
  N      -7.619951     -5.763969      0.698498
  H      -7.826927     -6.714928      0.345468
  H      -8.537232     -5.344412      0.939023
  H      -7.249173     -5.221903     -0.109339
76
Coordinates from ORCA-job orca E -7354.118856428715
  N      -3.061798     -4.098627      1.762279
  C      -3.466165     -4.969461      0.663556
  C      -3.640874     -6.396148      1.179539
  N      -2.928414     -6.528629      2.473802
  C      -3.328996     -7.791840      3.182107
  C      -3.987255     -7.459587      4.520375
  N      -4.622645     -6.165538      4.350777
  Mo     -3.440849     -4.653707      3.690516
  N      -1.655792     -5.355664      4.396142
  C      -0.767256     -6.181688      3.578136
  C      -1.454455     -6.459860      2.255413
  H      -0.546490     -7.115490      4.122310
  H       0.193846     -5.673445      3.397547
  H      -1.102566     -7.401096      1.804830
  H      -1.257188     -5.648289      1.548628
  H      -4.715252     -8.239269      4.782170
  H      -3.241069     -7.406916      5.328781
  H      -4.036806     -8.324657      2.535831
  H      -2.448403     -8.431949      3.319900
  H      -2.715539     -4.928942     -0.138917
  H      -4.421169     -4.600267      0.254941
  H      -3.222767     -7.123016      0.462472
  H      -4.715266     -6.599336      1.316164
  C      -2.497038     -2.898854      1.440819
  C      -2.232197     -2.425500      0.134069
  C      -1.735329     -1.145876     -0.042114
  C      -1.522977     -0.288690      1.057989
  C      -1.765350     -0.734332      2.343040
  C      -2.200848     -2.059422      2.551027
  N      -2.487957     -2.600799      3.787082
  C      -1.939733     -2.081221      4.886198
  C      -0.614873     -1.517520      5.060329
  O      -0.263037     -0.812787      5.971829
  Cl      0.646773     -2.174300      3.895149
  C      -5.868078     -5.891350      4.808716
  C      -6.683211     -6.738401      5.595566
  C      -7.953179     -6.323016      5.951909
  C      -8.454537     -5.075442      5.524948
  C      -7.670186     -4.223944      4.767217
  C      -6.354993     -4.602868      4.427473
  N      -5.476249     -3.857238      3.657242
  C      -5.788397     -2.557036      3.430249
  C      -5.531206     -1.905049      2.186850
  O      -5.267011     -2.385067      1.103739
  Cl     -5.770019     -0.099301      2.339626
  C      -1.299393     -5.144318      5.689754
  C      -0.043689     -5.481215      6.256587
  C       0.225997     -5.143740      7.567068
  C      -0.729409     -4.450340      8.348097
  C      -1.968439     -4.139348      7.830362
  C      -2.295757     -4.523519      6.508597
  N      -3.488306     -4.251655      5.882724
  C      -4.591873     -3.873302      6.555535
  C      -5.008454     -4.431179      7.818138
  O      -4.558170     -5.358078      8.449149
  Cl     -6.522810     -3.577665      8.397638
  H      -2.457490     -3.037211     -0.736659
  H      -1.550730     -0.779739     -1.052812
  H      -1.193575      0.737122      0.892743
  H      -1.653430     -0.063079      3.194199
  H      -2.487616     -2.159118      5.822704
  H      -6.305761     -7.698722      5.943984
  H      -8.575130     -6.969868      6.571634
  H      -9.467314     -4.778149      5.798077
  H      -8.070278     -3.269972      4.425153
  H      -6.390987     -2.011709      4.159856
  H       0.720787     -5.963737      5.650177
  H       1.202649     -5.376379      7.992893
  H      -0.475247     -4.139055      9.361471
  H      -2.685480     -3.573667      8.421910
  H      -5.287674     -3.204198      6.061972
  N      -6.783678     -5.875107      1.844111
  N      -7.683374     -5.769172      0.721624
  H      -7.903979     -6.716174      0.366745
  H      -8.590693     -5.348547      0.995310
  H      -7.330486     -5.222295     -0.090200
76
Coordinates from ORCA-job orca E -7354.119344159323
  N      -3.053761     -4.096827      1.757879
  C      -3.452129     -4.969993      0.658694
  C      -3.636277     -6.393555      1.180408
  N      -2.920072     -6.523780      2.473874
  C      -3.317874     -7.788267      3.182388
  C      -3.978641     -7.458126      4.520025
  N      -4.614595     -6.164444      4.350591
  Mo     -3.437172     -4.651604      3.686514
  N      -1.652358     -5.353655      4.398091
  C      -0.759884     -6.174490      3.578891
  C      -1.446009     -6.454081      2.255387
  H      -0.534573     -7.108039      4.121505
  H       0.198562     -5.660897      3.399176
  H      -1.093385     -7.395534      1.805888
  H      -1.248556     -5.643171      1.548099
  H      -4.707231     -8.238028      4.779428
  H      -3.233753     -7.406364      5.329665
  H      -4.023044     -8.323737      2.535405
  H      -2.435060     -8.424991      3.321403
  H      -2.694463     -4.935298     -0.137645
  H      -4.401578     -4.598754      0.239026
  H      -3.225116     -7.125390      0.464724
  H      -4.711189     -6.585681      1.325687
  C      -2.490282     -2.896480      1.437527
  C      -2.224463     -2.422835      0.131098
  C      -1.729892     -1.142162     -0.043921
  C      -1.520960     -0.285113      1.056931
  C      -1.764159     -0.731349      2.341759
  C      -2.197088     -2.057312      2.548803
  N      -2.484080     -2.601202      3.783881
  C      -1.937055     -2.081794      4.884509
  C      -0.612293     -1.519835      5.060677
  O      -0.260215     -0.813254      5.970692
  Cl      0.650690     -2.176178      3.894684
  C      -5.862463     -5.892418      4.803681
  C      -6.678907     -6.739272      5.589106
  C      -7.951056     -6.325041      5.939564
  C      -8.452528     -5.079314      5.507912
  C      -7.666352     -4.227802      4.751470
  C      -6.349583     -4.605675      4.418323
  N      -5.466058     -3.859697      3.651536
  C      -5.779806     -2.559397      3.423487
  C      -5.514241     -1.903846      2.183739
  O      -5.243217     -2.380399      1.100996
  Cl     -5.764347     -0.099253      2.339118
  C      -1.300536     -5.145886      5.692917
  C      -0.046103     -5.484249      6.262548
  C       0.220668     -5.149428      7.574082
  C      -0.736121     -4.457014      8.354622
  C      -1.973726     -4.144850      7.834761
  C      -2.298670     -4.526424      6.511438
  N      -3.489269     -4.250416      5.884383
  C      -4.594775     -3.873190      6.552263
  C      -5.016514     -4.428946      7.814870
  O      -4.567732     -5.353863      8.449640
  Cl     -6.534296     -3.576563      8.385027
  H      -2.447681     -3.035171     -0.739771
  H      -1.544472     -0.774949     -1.054086
  H      -1.193115      0.741337      0.892401
  H      -1.654285     -0.059869      3.192993
  H      -2.486527     -2.160113      5.820018
  H      -6.301245     -7.698340      5.940802
  H      -8.574530     -6.971527      6.558154
  H      -9.466882     -4.783018      5.776322
  H      -8.066585     -3.275162      4.405808
  H      -6.386382     -2.016270      4.151429
  H       0.720020     -5.965153      5.656948
  H       1.196456     -5.382953      8.001467
  H      -0.483553     -4.147327      9.368887
  H      -2.691743     -3.579376      8.425262
  H      -5.290615     -3.206731      6.054999
  N      -6.803194     -5.905471      1.841384
  N      -7.744054     -5.772413      0.753874
  H      -7.981352     -6.715635      0.399814
  H      -8.639464     -5.350600      1.062582
  H      -7.409802     -5.220670     -0.061726
76
Coordinates from ORCA-job orca E -7354.119770720185
  N      -3.046607     -4.094570      1.752169
  C      -3.437042     -4.970345      0.652116
  C      -3.632174     -6.389240      1.180308
  N      -2.912339     -6.517277      2.472339
  C      -3.307095     -7.783596      3.179940
  C      -3.968451     -7.456136      4.517462
  N      -4.606271     -6.163651      4.348059
  Mo     -3.434132     -4.647688      3.681503
  N      -1.650370     -5.350494      4.400126
  C      -0.753630     -6.165193      3.579317
  C      -1.438134     -6.445805      2.254704
  H      -0.523663     -7.098739      4.119876
  H       0.202066     -5.646020      3.401001
  H      -1.083784     -7.386943      1.805999
  H      -1.240449     -5.634942      1.547606
  H      -4.695826     -8.237257      4.776479
  H      -3.223740     -7.403709      5.327242
  H      -4.011234     -8.320027      2.532672
  H      -2.422592     -8.418051      3.318140
  H      -2.669996     -4.943001     -0.135661
  H      -4.379997     -4.597537      0.219432
  H      -3.230731     -7.128502      0.467088
  H      -4.706746     -6.570115      1.334883
  C      -2.481731     -2.894800      1.433426
  C      -2.212146     -2.421850      0.127532
  C      -1.716495     -1.141492     -0.046323
  C      -1.509912     -0.284775      1.055302
  C      -1.756605     -0.730661      2.339695
  C      -2.191308     -2.056050      2.545670
  N      -2.480480     -2.601112      3.779563
  C      -1.935319     -2.080588      4.881448
  C      -0.611396     -1.519233      5.058408
  O      -0.256517     -0.818371      5.971815
  Cl      0.651495     -2.176436      3.891067
  C      -5.856611     -5.895388      4.796426
  C      -6.673651     -6.743941      5.579203
  C      -7.948282     -6.332867      5.924560
  C      -8.450942     -5.088548      5.490623
  C      -7.663601     -4.235083      4.737166
  C      -6.345113     -4.610331      4.409307
  N      -5.458612     -3.861679      3.646950
  C      -5.776267     -2.561429      3.421347
  C      -5.517227     -1.903804      2.181110
  O      -5.245062     -2.377697      1.097764
  Cl     -5.757703     -0.098104      2.343197
  C      -1.303733     -5.147385      5.696248
  C      -0.050921     -5.487928      6.268947
  C       0.212786     -5.155721      7.581508
  C      -0.745220     -4.463468      8.360982
  C      -1.981021     -4.149535      7.838546
  C      -2.303567     -4.528810      6.513836
  N      -3.491453     -4.247446      5.884719
  C      -4.597351     -3.868625      6.548768
  C      -5.024016     -4.420708      7.812080
  O      -4.579783     -5.345843      8.449394
  Cl     -6.542626     -3.565681      8.374068
  H      -2.433657     -3.034737     -0.743399
  H      -1.527867     -0.774197     -1.055825
  H      -1.180428      0.741269      0.891611
  H      -1.647260     -0.059340      3.191140
  H      -2.486184     -2.159121      5.816166
  H      -6.295134     -7.702075      5.932486
  H      -8.572462     -6.980695      6.540973
  H      -9.466847     -4.794225      5.755244
  H      -8.064958     -3.283289      4.390478
  H      -6.382954     -2.021313      4.151248
  H       0.716576     -5.967745      5.664290
  H       1.187436     -5.390465      8.010784
  H      -0.494368     -4.155077      9.376033
  H      -2.699587     -3.583596      8.427842
  H      -5.291674     -3.202492      6.049073
  N      -6.818796     -5.933228      1.841163
  N      -7.801769     -5.775280      0.793707
  H      -8.057251     -6.713958      0.441194
  H      -8.683445     -5.353091      1.138727
  H      -7.488631     -5.217690     -0.025299
76
Coordinates from ORCA-job orca E -7354.120166731019
  N      -3.038839     -4.092390      1.746243
  C      -3.419429     -4.971022      0.644807
  C      -3.626475     -6.384316      1.180174
  N      -2.903112     -6.511859      2.470347
  C      -3.296779     -7.779842      3.176397
  C      -3.958069     -7.454365      4.514067
  N      -4.597382     -6.162890      4.344365
  Mo     -3.428308     -4.643768      3.676605
  N      -1.647238     -5.348993      4.403592
  C      -0.746638     -6.158498      3.581646
  C      -1.428527     -6.439402      2.255171
  H      -0.513512     -7.092375      4.120249
  H       0.207116     -5.635018      3.405539
  H      -1.072356     -7.380242      1.807356
  H      -1.229262     -5.628392      1.548865
  H      -4.683682     -8.236754      4.774061
  H      -3.213066     -7.400683      5.323543
  H      -4.001272     -8.315232      2.528635
  H      -2.411898     -8.414062      3.312930
  H      -2.641697     -4.951332     -0.132839
  H      -4.355653     -4.597699      0.198280
  H      -3.238146     -7.133350      0.469921
  H      -4.700708     -6.553825      1.344579
  C      -2.476663     -2.891111      1.429148
  C      -2.208466     -2.416687      0.123521
  C      -1.715592     -1.135169     -0.049448
  C      -1.510303     -0.279354      1.053244
  C      -1.755337     -0.727126      2.337369
  C      -2.187247     -2.053525      2.542343
  N      -2.473180     -2.602145      3.775493
  C      -1.928807     -2.081059      4.878573
  C      -0.604264     -1.523950      5.057997
  O      -0.247891     -0.823425      5.971257
  Cl      0.658403     -2.178476      3.887107
  C      -5.849765     -5.896942      4.788417
  C      -6.668367     -6.746493      5.568511
  C      -7.944845     -6.337353      5.909467
  C      -8.447654     -5.093614      5.473886
  C      -7.658599     -4.238894      4.723355
  C      -6.338766     -4.612777      4.399980
  N      -5.449868     -3.862295      3.641728
  C      -5.768088     -2.561771      3.415337
  C      -5.506189     -1.907007      2.173872
  O      -5.232980     -2.384127      1.092338
  Cl     -5.756584     -0.101900      2.328441
  C      -1.306868     -5.150610      5.701392
  C      -0.056794     -5.494856      6.278610
  C       0.202614     -5.165380      7.592506
  C      -0.756871     -4.472071      8.369552
  C      -1.989935     -4.154982      7.843041
  C      -2.308832     -4.531562      6.516583
  N      -3.493129     -4.244549      5.883353
  C      -4.600944     -3.865605      6.542523
  C      -5.034374     -4.416303      7.804812
  O      -4.593581     -5.340478      8.445608
  Cl     -6.555291     -3.560207      8.357561
  H      -2.429407     -3.029879     -0.747409
  H      -1.527981     -0.766304     -1.058555
  H      -1.182676      0.747448      0.890551
  H      -1.646186     -0.056544      3.189419
  H      -2.481426     -2.158732      5.812260
  H      -6.290112     -7.704302      5.922980
  H      -8.570129     -6.986227      6.523651
  H      -9.464627     -4.800106      5.735344
  H      -8.060262     -3.287225      4.376572
  H      -6.375595     -2.020277      4.143522
  H       0.711977     -5.974937      5.675800
  H       1.175247     -5.402539      8.025033
  H      -0.508761     -4.165089      9.385695
  H      -2.708860     -3.587739      8.430584
  H      -5.294117     -3.200970      6.039164
  N      -6.828722     -5.958105      1.844721
  N      -7.854422     -5.777226      0.841215
  H      -8.130277     -6.710443      0.489694
  H      -8.720655     -5.354925      1.223674
  H      -7.565613     -5.212339      0.018862
76
Coordinates from ORCA-job orca E -7354.120562070372
  N      -3.031909     -4.089511      1.739834
  C      -3.400322     -4.970987      0.636456
  C      -3.619438     -6.377737      1.179144
  N      -2.892661     -6.506468      2.466970
  C      -3.286070     -7.776003      3.170859
  C      -3.946672     -7.452299      4.508944
  N      -4.588335     -6.162257      4.338782
  Mo     -3.421615     -4.638482      3.671168
  N      -1.644681     -5.347437      4.407395
  C      -0.740122     -6.152102      3.584895
  C      -1.417867     -6.432314      2.255637
  H      -0.505097     -7.086740      4.121359
  H       0.212319     -5.625074      3.412310
  H      -1.059006     -7.372315      1.808269
  H      -1.216635     -5.620356      1.551089
  H      -4.669416     -8.236611      4.770985
  H      -3.201022     -7.396265      5.317710
  H      -3.991864     -8.309050      2.522550
  H      -2.401572     -8.411223      3.304853
  H      -2.610371     -4.958590     -0.129073
  H      -4.329141     -4.598039      0.174699
  H      -3.247533     -7.137819      0.471723
  H      -4.692760     -6.536850      1.354379
  C      -2.472777     -2.886413      1.424261
  C      -2.206707     -2.410362      0.118861
  C      -1.715531     -1.128100     -0.053369
  C      -1.509257     -0.273832      1.050475
  C      -1.752047     -0.723663      2.334386
  C      -2.183248     -2.050397      2.538161
  N      -2.465641     -2.602400      3.770649
  C      -1.920584     -2.080552      4.874168
  C      -0.595275     -1.527608      5.053448
  O      -0.234228     -0.833786      5.970236
  Cl      0.663714     -2.179020      3.875782
  C      -5.842497     -5.899279      4.778886
  C      -6.662372     -6.750763      5.555794
  C      -7.940674     -6.344546      5.893095
  C      -8.444479     -5.101084      5.457241
  C      -7.654418     -4.244172      4.710262
  C      -6.332974     -4.615722      4.390284
  N      -5.444170     -3.862399      3.635943
  C      -5.762913     -2.561478      3.410308
  C      -5.504713     -1.910938      2.165543
  O      -5.233602     -2.392629      1.085553
  Cl     -5.755848     -0.105647      2.312932
  C      -1.311499     -5.154732      5.707309
  C      -0.065447     -5.504834      6.290256
  C       0.188453     -5.178978      7.605977
  C      -0.772441     -4.483362      8.379485
  C      -2.001605     -4.160890      7.847426
  C      -2.315569     -4.533979      6.518853
  N      -3.494924     -4.240021      5.879569
  C      -4.604179     -3.858450      6.533697
  C      -5.045365     -4.406660      7.794922
  O      -4.610805     -5.331380      8.438824
  Cl     -6.567048     -3.546288      8.338161
  H      -2.428171     -3.023579     -0.751979
  H      -1.529489     -0.757748     -1.062197
  H      -1.182216      0.753326      0.888882
  H      -1.641148     -0.054584      3.187409
  H      -2.472934     -2.158172      5.808081
  H      -6.283968     -7.708399      5.910558
  H      -8.566484     -6.995410      6.504611
  H      -9.462439     -4.808951      5.716433
  H      -8.056673     -3.292176      4.364911
  H      -6.368072     -2.017897      4.138913
  H       0.704367     -5.986354      5.689963
  H       1.158016     -5.420376      8.043022
  H      -0.528126     -4.178558      9.397185
  H      -2.720627     -3.591582      8.432829
  H      -5.294153     -3.193292      6.026675
  N      -6.832583     -5.980742      1.853278
  N      -7.899535     -5.779988      0.898178
  H      -8.197432     -6.706436      0.546687
  H      -8.748077     -5.359026      1.320304
  H      -7.640385     -5.205736      0.072732
76
Coordinates from ORCA-job orca E -7354.120966248724
  N      -3.025183     -4.086409      1.733333
  C      -3.379466     -4.971067      0.627691
  C      -3.610582     -6.370633      1.177751
  N      -2.880389     -6.502515      2.462673
  C      -3.275208     -7.772801      3.164364
  C      -3.935013     -7.450236      4.502862
  N      -4.579188     -6.161760      4.331977
  Mo     -3.413066     -4.632648      3.665415
  N      -1.642094     -5.347103      4.411574
  C      -0.733664     -6.148138      3.589697
  C      -1.405565     -6.426406      2.256604
  H      -0.498825     -7.084047      4.124045
  H       0.218480     -5.618897      3.422258
  H      -1.043430     -7.365148      1.809234
  H      -1.201811     -5.612769      1.554765
  H      -4.654687     -8.236616      4.767104
  H      -3.188787     -7.391525      5.310926
  H      -3.982961     -8.302507      2.515389
  H      -2.392020     -8.410329      3.295743
  H      -2.576399     -4.965069     -0.124294
  H      -4.300131     -4.599230      0.149251
  H      -3.258393     -7.142031      0.472201
  H      -4.682855     -6.520486      1.365348
  C      -2.471070     -2.880372      1.418738
  C      -2.209690     -2.401907      0.113415
  C      -1.721937     -1.118198     -0.058217
  C      -1.513841     -0.265749      1.046760
  C      -1.751938     -0.718450      2.330641
  C      -2.180699     -2.046085      2.533118
  N      -2.457241     -2.602488      3.765191
  C      -1.909973     -2.080403      4.868764
  C      -0.582772     -1.533937      5.047301
  O      -0.216370     -0.846186      5.966885
  Cl      0.670564     -2.180816      3.860657
  C      -5.834753     -5.901776      4.768223
  C      -6.655892     -6.755365      5.542012
  C      -7.935951     -6.352493      5.875795
  C      -8.441418     -5.109384      5.439739
  C      -7.650877     -4.250055      4.696307
  C      -6.327382     -4.618602      4.379433
  N      -5.440662     -3.862083      3.628591
  C      -5.758700     -2.560611      3.404125
  C      -5.504071     -1.914361      2.156228
  O      -5.235870     -2.401183      1.077718
  Cl     -5.756470     -0.109292      2.295673
  C      -1.316905     -5.160801      5.714043
  C      -0.076303     -5.519166      6.303922
  C       0.171020     -5.197466      7.621827
  C      -0.790771     -4.497565      8.390505
  C      -2.014801     -4.167236      7.851488
  C      -2.322881     -4.536754      6.520696
  N      -3.495948     -4.234641      5.873317
  C      -4.606904     -3.848036      6.521148
  C      -5.059199     -4.393798      7.779924
  O      -4.634663     -5.320855      8.426784
  Cl     -6.578927     -3.523847      8.313348
  H      -2.432316     -3.014967     -0.757289
  H      -1.539735     -0.745777     -1.066965
  H      -1.188742      0.762194      0.886250
  H      -1.638814     -0.051326      3.184918
  H      -2.461039     -2.157808      5.803500
  H      -6.276982     -7.712720      5.896999
  H      -8.562014     -7.005619      6.484629
  H      -9.460413     -4.819079      5.697000
  H      -8.053455     -3.297523      4.352601
  H      -6.360544     -2.014497      4.133702
  H       0.694246     -6.003538      5.706908
  H       1.136406     -5.445074      8.064608
  H      -0.551042     -4.195301      9.410038
  H      -2.733189     -3.594274      8.433989
  H      -5.290675     -3.179891      6.009790
  N      -6.828614     -6.000125      1.869045
  N      -7.933681     -5.781843      0.965366
  H      -8.256144     -6.699821      0.612663
  H      -8.761488     -5.363185      1.429630
  H      -7.709816     -5.196066      0.137396
76
Coordinates from ORCA-job orca E -7354.121346944362
  N      -3.018664     -4.082571      1.726525
  C      -3.358312     -4.971086      0.618881
  C      -3.600621     -6.363859      1.175846
  N      -2.866599     -6.499585      2.457599
  C      -3.263759     -7.769639      3.157805
  C      -3.923218     -7.447882      4.496541
  N      -4.569933     -6.161016      4.324937
  Mo     -3.403647     -4.626686      3.658811
  N      -1.639462     -5.346888      4.414786
  C      -0.726810     -6.145221      3.594807
  C      -1.391844     -6.420958      2.257317
  H      -0.493643     -7.082638      4.127222
  H       0.225620     -5.614464      3.433800
  H      -1.025930     -7.358080      1.809559
  H      -1.185858     -5.605163      1.558650
  H      -4.640484     -8.236103      4.761892
  H      -3.176783     -7.387046      5.304224
  H      -3.973165     -8.296424      2.508178
  H      -2.382065     -8.409597      3.287428
  H      -2.542368     -4.969970     -0.119370
  H      -4.270044     -4.600753      0.122602
  H      -3.268679     -7.144730      0.470592
  H      -4.672204     -6.505170      1.376802
  C      -2.470527     -2.873116      1.412173
  C      -2.214176     -2.392246      0.107001
  C      -1.730512     -1.106692     -0.063666
  C      -1.520766     -0.256175      1.042428
  C      -1.753763     -0.711811      2.326401
  C      -2.179821     -2.040405      2.527065
  N      -2.450094     -2.601749      3.758652
  C      -1.898769     -2.080022      4.861620
  C      -0.569706     -1.538700      5.036301
  O      -0.195987     -0.859858      5.959921
  Cl      0.675368     -2.180474      3.838349
  C      -5.826218     -5.903903      4.758390
  C      -6.647497     -6.758836      5.531240
  C      -7.928890     -6.359160      5.862482
  C      -8.437098     -5.117238      5.424949
  C      -7.647415     -4.256227      4.682918
  C      -6.321848     -4.621481      4.368227
  N      -5.438714     -3.862542      3.618407
  C      -5.756538     -2.561092      3.394125
  C      -5.503942     -1.917305      2.144637
  O      -5.236501     -2.407604      1.067346
  Cl     -5.758991     -0.112898      2.278591
  C      -1.323249     -5.167768      5.720403
  C      -0.089358     -5.535895      6.318515
  C       0.149359     -5.220399      7.639504
  C      -0.814086     -4.517154      8.403120
  C      -2.031882     -4.177255      7.855842
  C      -2.331638     -4.540571      6.521663
  N      -3.497164     -4.228951      5.865129
  C      -4.610379     -3.836652      6.505207
  C      -5.073849     -4.378462      7.761931
  O      -4.659410     -5.307275      8.412461
  Cl     -6.593049     -3.500052      8.283256
  H      -2.437403     -3.005077     -0.763768
  H      -1.552415     -0.731991     -1.072298
  H      -1.197806      0.772636      0.883050
  H      -1.638265     -0.046910      3.182130
  H      -2.446214     -2.158474      5.798449
  H      -6.266998     -7.715141      5.887378
  H      -8.554369     -7.013751      6.470361
  H      -9.457034     -4.829145      5.681126
  H      -8.050230     -3.303617      4.339428
  H      -6.356636     -2.013872      4.124519
  H       0.682618     -6.022788      5.725451
  H       1.109562     -5.475712      8.089154
  H      -0.580575     -4.219600      9.425477
  H      -2.750625     -3.601577      8.435246
  H      -5.286809     -3.164998      5.988692
  N      -6.819568     -6.017174      1.889849
  N      -7.959242     -5.782026      1.038814
  H      -8.308089     -6.690077      0.684173
  H      -8.762518     -5.366758      1.547756
  H      -7.774390     -5.183025      0.209776
76
Coordinates from ORCA-job orca E -7354.121704536008
  N      -3.011354     -4.078726      1.720448
  C      -3.338215     -4.971263      0.611592
  C      -3.591563     -6.357923      1.174403
  N      -2.852887     -6.497377      2.452845
  C      -3.251987     -7.766595      3.152611
  C      -3.911180     -7.445667      4.491635
  N      -4.560257     -6.160290      4.319485
  Mo     -3.394061     -4.621583      3.652324
  N      -1.636741     -5.347600      4.416906
  C      -0.719800     -6.143496      3.599115
  C      -1.378335     -6.416094      2.257413
  H      -0.488885     -7.082603      4.129448
  H       0.233033     -5.611439      3.444893
  H      -1.008857     -7.351371      1.808638
  H      -1.170933     -5.597825      1.562092
  H      -4.627100     -8.235287      4.756582
  H      -3.164801     -7.383818      5.299239
  H      -3.962486     -8.291670      2.502753
  H      -2.371323     -8.408246      3.281237
  H      -2.510588     -4.974479     -0.113873
  H      -4.240231     -4.601734      0.097398
  H      -3.278368     -7.145573      0.468004
  H      -4.662824     -6.490018      1.389049
  C      -2.468723     -2.866301      1.405778
  C      -2.216061     -2.383774      0.100872
  C      -1.737744     -1.095822     -0.068556
  C      -1.529477     -0.246281      1.038356
  C      -1.758471     -0.704233      2.322496
  C      -2.179596     -2.034420      2.521305
  N      -2.444067     -2.601135      3.752248
  C      -1.888860     -2.080743      4.855089
  C      -0.557600     -1.545170      5.026906
  O      -0.178346     -0.870559      5.951685
  Cl      0.680527     -2.181887      3.819139
  C      -5.817667     -5.906852      4.749025
  C      -6.638583     -6.763169      5.521424
  C      -7.922385     -6.368138      5.847492
  C      -8.434584     -5.129115      5.405470
  C      -7.645899     -4.266155      4.664936
  C      -6.317263     -4.626446      4.355121
  N      -5.436527     -3.864664      3.606640
  C      -5.756319     -2.564060      3.382465
  C      -5.504552     -1.918680      2.133909
  O      -5.235095     -2.408295      1.056732
  Cl     -5.762675     -0.115201      2.268959
  C      -1.329486     -5.176422      5.725762
  C      -0.102254     -5.554651      6.331385
  C       0.128860     -5.245044      7.655086
  C      -0.834864     -4.537215      8.413999
  C      -2.046489     -4.187278      7.859314
  C      -2.339665     -4.545892      6.522485
  N      -3.497844     -4.223603      5.857818
  C      -4.612794     -3.822142      6.488477
  C      -5.092023     -4.358596      7.742020
  O      -4.693235     -5.291526      8.396140
  Cl     -6.605077     -3.462720      8.251298
  H      -2.437998     -2.996833     -0.770119
  H      -1.562758     -0.719013     -1.076944
  H      -1.209987      0.783768      0.879867
  H      -1.642893     -0.040740      3.179310
  H      -2.433273     -2.160304      5.793611
  H      -6.255154     -7.717177      5.880592
  H      -8.547301     -7.023909      6.454687
  H      -9.456373     -4.844760      5.658572
  H      -8.049320     -3.314604      4.319011
  H      -6.358486     -2.019348      4.113193
  H       0.670933     -6.044054      5.742022
  H       1.084109     -5.508212      8.110759
  H      -0.606337     -4.243710      9.438648
  H      -2.764416     -3.607337      8.435194
  H      -5.278155     -3.144013      5.966183
  N      -6.809522     -6.031526      1.914166
  N      -7.981449     -5.778310      1.117095
  H      -8.357725     -6.675276      0.760978
  H      -8.755645     -5.367480      1.672677
  H      -7.836258     -5.164871      0.289771
76
Coordinates from ORCA-job orca E -7354.122068375918
  N      -3.004011     -4.074013      1.714130
  C      -3.320256     -4.970803      0.605162
  C      -3.583703     -6.352343      1.172616
  N      -2.839506     -6.495165      2.447870
  C      -3.239909     -7.763150      3.148255
  C      -3.898508     -7.442896      4.488001
  N      -4.549995     -6.158755      4.315776
  Mo     -3.384789     -4.616775      3.645114
  N      -1.633861     -5.347018      4.417306
  C      -0.712627     -6.141229      3.602201
  C      -1.365112     -6.411063      2.256593
  H      -0.484395     -7.081863      4.130873
  H       0.240640     -5.608107      3.454653
  H      -0.992121     -7.344474      1.806716
  H      -1.156928     -5.590385      1.564439
  H      -4.613804     -8.233519      4.751756
  H      -3.151965     -7.380935      5.295336
  H      -3.951280     -8.287636      2.498837
  H      -2.359834     -8.405883      3.276257
  H      -2.482565     -4.977912     -0.109128
  H      -4.212357     -4.601525      0.073830
  H      -3.287063     -7.144030      0.463599
  H      -4.654359     -6.474667      1.401775
  C      -2.466370     -2.859157      1.398410
  C      -2.215482     -2.375792      0.093930
  C      -1.741934     -1.085531     -0.073841
  C      -1.536511     -0.236638      1.033797
  C      -1.763208     -0.696220      2.318142
  C      -2.180158     -2.027680      2.514673
  N      -2.440201     -2.599618      3.744640
  C      -1.880353     -2.080679      4.846895
  C      -0.547929     -1.547110      5.012926
  O      -0.161948     -0.879356      5.940133
  Cl      0.682466     -2.179506      3.795098
  C      -5.808521     -5.908677      4.741755
  C      -6.628181     -6.765279      5.515922
  C      -7.914709     -6.375128      5.835848
  C      -8.431912     -5.140663      5.386121
  C      -7.644817     -4.276641      4.645257
  C      -6.312853     -4.631416      4.341625
  N      -5.433904     -3.867670      3.592368
  C      -5.758171     -2.569352      3.365278
  C      -5.502975     -1.921037      2.119260
  O      -5.226719     -2.408399      1.042806
  Cl     -5.770184     -0.119027      2.256006
  C      -1.336091     -5.183933      5.729692
  C      -0.115883     -5.572172      6.343224
  C       0.106088     -5.270997      7.670485
  C      -0.859484     -4.562073      8.425868
  C      -2.064693     -4.202166      7.863562
  C      -2.348878     -4.551884      6.522467
  N      -3.499560     -4.218455      5.850505
  C      -4.617248     -3.811056      6.471016
  C      -5.108171     -4.340552      7.723409
  O      -4.719288     -5.273661      8.382953
  Cl     -6.621779     -3.437087      8.216938
  H      -2.434616     -2.989268     -0.777547
  H      -1.568117     -0.706973     -1.081796
  H      -1.219874      0.794457      0.876132
  H      -1.648041     -0.033862      3.175936
  H      -2.420032     -2.162781      5.787919
  H      -6.240677     -7.715628      5.880428
  H      -8.538664     -7.030859      6.444115
  H      -9.455915     -4.860658      5.635346
  H      -8.049308     -3.327361      4.294084
  H      -6.367748     -2.029124      4.093366
  H       0.659653     -6.062425      5.757692
  H       1.056106     -5.542340      8.132346
  H      -0.637413     -4.275616      9.453943
  H      -2.783997     -3.621205      8.436678
  H      -5.274468     -3.129973      5.942032
  N      -6.797171     -6.042738      1.942601
  N      -7.998756     -5.770021      1.201717
  H      -8.403808     -6.654747      0.844931
  H      -8.738629     -5.364653      1.805918
  H      -7.893248     -5.140040      0.379812
76
Coordinates from ORCA-job orca E -7354.122436570433
  N      -2.995187     -4.069880      1.707966
  C      -3.304180     -4.970498      0.599874
  C      -3.577081     -6.348387      1.169875
  N      -2.827680     -6.493895      2.442469
  C      -3.228282     -7.760971      3.143672
  C      -3.885969     -7.441733      4.484463
  N      -4.539516     -6.158532      4.312626
  Mo     -3.376812     -4.614374      3.637194
  N      -1.631505     -5.347129      4.415807
  C      -0.706109     -6.139818      3.603382
  C      -1.353338     -6.407192      2.254463
  H      -0.480627     -7.081784      4.130720
  H       0.247508     -5.605769      3.461954
  H      -0.977175     -7.338823      1.803470
  H      -1.144774     -5.584259      1.565239
  H      -4.601359     -8.232939      4.746374
  H      -3.139049     -7.380557      5.291376
  H      -3.940059     -8.285848      2.495002
  H      -2.348190     -8.403889      3.271332
  H      -2.458615     -4.981878     -0.105590
  H      -4.186995     -4.600467      0.053811
  H      -3.292700     -7.141589      0.457832
  H      -4.646912     -6.459626      1.412563
  C      -2.461146     -2.853482      1.391510
  C      -2.208548     -2.370031      0.087857
  C      -1.740248     -1.077227     -0.077617
  C      -1.542304     -0.227876      1.030689
  C      -1.769918     -0.688399      2.314938
  C      -2.180910     -2.021687      2.508938
  N      -2.438890     -2.598850      3.737435
  C      -1.877209     -2.081934      4.840526
  C      -0.544332     -1.549127      5.004638
  O      -0.156535     -0.881371      5.931171
  Cl      0.683653     -2.177539      3.781984
  C      -5.799517     -5.911755      4.734581
  C      -6.616890     -6.767909      5.512308
  C      -7.906077     -6.382704      5.826578
  C      -8.428358     -5.153228      5.368767
  C      -7.643218     -4.288532      4.626339
  C      -6.308955     -4.638689      4.326729
  N      -5.430444     -3.873148      3.575464
  C      -5.762159     -2.578008      3.346060
  C      -5.502801     -1.923120      2.104522
  O      -5.217393     -2.404144      1.027846
  Cl     -5.778289     -0.122513      2.249145
  C      -1.343075     -5.192325      5.731538
  C      -0.128847     -5.589142      6.351419
  C       0.085999     -5.295242      7.681491
  C      -0.880311     -4.584742      8.434120
  C      -2.080119     -4.216416      7.865808
  C      -2.358117     -4.559769      6.521621
  N      -3.502441     -4.215217      5.844319
  C      -4.622013     -3.798950      6.453406
  C      -5.129003     -4.319699      7.703717
  O      -4.754943     -5.254472      8.369238
  Cl     -6.637448     -3.399932      8.181283
  H      -2.421900     -2.984383     -0.784484
  H      -1.564668     -0.697321     -1.084772
  H      -1.229506      0.804556      0.873925
  H      -1.658650     -0.026075      3.173279
  H      -2.414785     -2.166967      5.782465
  H      -6.224453     -7.713748      5.883270
  H      -8.528490     -7.037481      6.437446
  H      -9.454147     -4.877173      5.615243
  H      -8.049223     -3.341675      4.270148
  H      -6.382996     -2.045444      4.070333
  H       0.648918     -6.079591      5.769023
  H       1.031848     -5.573430      8.147886
  H      -0.662880     -4.303822      9.464720
  H      -2.799869     -3.633536      8.436076
  H      -5.268244     -3.113114      5.917053
  N      -6.784970     -6.052596      1.969072
  N      -8.014439     -5.758148      1.286304
  H      -8.448436     -6.629462      0.929600
  H      -8.715177     -5.358993      1.939161
  H      -7.945113     -5.109158      0.474796
76
Coordinates from ORCA-job orca E -7354.122847053972
  N      -2.986097     -4.065928      1.701907
  C      -3.292141     -4.969312      0.595613
  C      -3.572909     -6.345192      1.166185
  N      -2.818589     -6.493076      2.436816
  C      -3.218550     -7.759699      3.138882
  C      -3.874008     -7.441391      4.481566
  N      -4.529101     -6.158679      4.310813
  Mo     -3.370575     -4.613594      3.628893
  N      -1.629736     -5.346186      4.412613
  C      -0.701101     -6.138556      3.602774
  C      -1.344152     -6.404423      2.251271
  H      -0.478582     -7.081387      4.129704
  H       0.253032     -5.604355      3.466069
  H      -0.965328     -7.334662      1.799618
  H      -1.135159     -5.579758      1.564404
  H      -4.589682     -8.232747      4.742352
  H      -3.125857     -7.381507      5.287294
  H      -3.931349     -8.284934      2.491610
  H      -2.338320     -8.402782      3.265441
  H      -2.441739     -4.985461     -0.104496
  H      -4.167866     -4.597516      0.039431
  H      -3.297086     -7.138210      0.451042
  H      -4.640616     -6.444247      1.422515
  C      -2.454225     -2.848988      1.384813
  C      -2.196840     -2.366391      0.082199
  C      -1.732242     -1.071652     -0.080894
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  C      -1.774845     -0.681788      2.311869
  C      -2.181513     -2.016359      2.503422
  N      -2.440361     -2.597590      3.730165
  C      -1.878260     -2.082279      4.834255
  C      -0.546560     -1.545855      4.996503
  O      -0.158573     -0.878264      5.923005
  Cl      0.681623     -2.171904      3.772317
  C      -5.791200     -5.914810      4.727748
  C      -6.606050     -6.770250      5.509443
  C      -7.898389     -6.390796      5.817177
  C      -8.425989     -5.167110      5.350028
  C      -7.642687     -4.301922      4.605513
  C      -6.306132     -4.646997      4.310632
  N      -5.426681     -3.879294      3.556901
  C      -5.768063     -2.588461      3.323853
  C      -5.500178     -1.926399      2.087792
  O      -5.201948     -2.400186      1.011807
  Cl     -5.788387     -0.127552      2.239434
  C      -1.349865     -5.198181      5.731372
  C      -0.140514     -5.601431      6.356576
  C       0.067829     -5.315091      7.689398
  C      -0.900367     -4.606005      8.440627
  C      -2.095864     -4.231552      7.867361
  C      -2.367515     -4.566911      6.519648
  N      -3.506861     -4.212995      5.838878
  C      -4.628754     -3.791370      6.437192
  C      -5.146989     -4.301647      7.687894
  O      -4.781580     -5.233884      8.361538
  Cl     -6.655772     -3.374210      8.147234
  H      -2.402800     -2.981977     -0.791114
  H      -1.552004     -0.691215     -1.087043
  H      -1.233252      0.812148      0.871961
  H      -1.668523     -0.018812      3.170354
  H      -2.413912     -2.171390      5.776836
  H      -6.208252     -7.710875      5.887960
  H      -8.519159     -7.044365      6.430990
  H      -9.453638     -4.894979      5.593276
  H      -8.051435     -3.358005      4.244460
  H      -6.404354     -2.064183      4.040649
  H       0.639961     -6.090674      5.776793
  H       1.010353     -5.598699      8.159308
  H      -0.687660     -4.331475      9.473942
  H      -2.817603     -3.649611      8.435919
  H      -5.268229     -3.105215      5.892765
  N      -6.769464     -6.058656      1.997024
  N      -8.024341     -5.740378      1.376010
  H      -8.488396     -6.596662      1.020365
  H      -8.680535     -5.347764      2.077635
  H      -7.986764     -5.068812      0.580743
76
Coordinates from ORCA-job orca E -7354.123250803407
  N      -2.976367     -4.063823      1.696365
  C      -3.283561     -4.968481      0.591872
  C      -3.571485     -6.343368      1.162257
  N      -2.813408     -6.492996      2.431515
  C      -3.212265     -7.760038      3.133601
  C      -3.863946     -7.442608      4.478715
  N      -4.519670     -6.160064      4.309458
  Mo     -3.366581     -4.614742      3.621212
  N      -1.628886     -5.345328      4.408815
  C      -0.698556     -6.138328      3.600851
  C      -1.338777     -6.403714      2.247647
  H      -0.478729     -7.081484      4.128283
  H       0.256308     -5.604922      3.466756
  H      -0.958199     -7.333293      1.796197
  H      -1.128731     -5.578203      1.562238
  H      -4.579451     -8.233864      4.740185
  H      -3.113663     -7.383811      5.282449
  H      -3.927144     -8.284495      2.487979
  H      -2.332130     -8.403760      3.257679
  H      -2.431238     -4.990751     -0.106075
  H      -4.155432     -4.594120      0.031407
  H      -3.301755     -7.137005      0.446122
  H      -4.635926     -6.428505      1.431308
  C      -2.444824     -2.847293      1.379526
  C      -2.180149     -2.366371      0.077970
  C      -1.717973     -1.070451     -0.083450
  C      -1.539292     -0.217991      1.025486
  C      -1.777237     -0.677529      2.308808
  C      -2.180591     -2.013068      2.499035
  N      -2.443271     -2.596195      3.724267
  C      -1.883969     -2.081495      4.830031
  C      -0.554438     -1.539957      4.994376
  O      -0.170835     -0.867711      5.919116
  Cl      0.679261     -2.165706      3.774797
  C      -5.785036     -5.919526      4.718813
  C      -6.598543     -6.775607      5.501568
  C      -7.895126     -6.403694      5.800482
  C      -8.427217     -5.185238      5.325145
  C      -7.644010     -4.317804      4.582000
  C      -6.305155     -4.657448      4.292640
  N      -5.423180     -3.885528      3.539541
  C      -5.774760     -2.598702      3.306088
  C      -5.496805     -1.927986      2.076309
  O      -5.185327     -2.393087      1.000842
  Cl     -5.795247     -0.130744      2.236785
  C      -1.355483     -5.201640      5.729628
  C      -0.148838     -5.608247      6.357822
  C       0.056255     -5.326428      7.692131
  C      -0.913083     -4.618416      8.442666
  C      -2.106294     -4.241155      7.866641
  C      -2.375035     -4.571947      6.516985
  N      -3.511620     -4.211672      5.834683
  C      -4.635235     -3.785646      6.423890
  C      -5.164151     -4.286112      7.674767
  O      -4.806510     -5.215203      8.356712
  Cl     -6.672764     -3.351171      8.116982
  H      -2.377977     -2.983808     -0.795954
  H      -1.531203     -0.690573     -1.088611
  H      -1.231425      0.816108      0.869902
  H      -1.677406     -0.012783      3.166698
  H      -2.420417     -2.174046      5.771749
  H      -6.196142     -7.711456      5.887043
  H      -8.515072     -7.057646      6.414643
  H      -9.457034     -4.916974      5.563531
  H      -8.056691     -3.376291      4.218903
  H      -6.426700     -2.082568      4.014461
  H       0.633411     -6.096322      5.779449
  H       0.997153     -5.612840      8.163588
  H      -0.702940     -4.347431      9.477427
  H      -2.829072     -3.659925      8.434339
  H      -5.269838     -3.101002      5.871608
  N      -6.751425     -6.061136      2.022974
  N      -8.030878     -5.718483      1.468063
  H      -8.525487     -6.558274      1.115126
  H      -8.639005     -5.332125      2.216088
  H      -8.018365     -5.022526      0.693840
76
Coordinates from ORCA-job orca E -7354.123665721350
  N      -2.967002     -4.063251      1.688740
  C      -3.274260     -4.967404      0.584018
  C      -3.567937     -6.341881      1.154146
  N      -2.809685     -6.492739      2.423754
  C      -3.208781     -7.761642      3.123106
  C      -3.857709     -7.446085      4.470145
  N      -4.513525     -6.163437      4.303349
  Mo     -3.366036     -4.617307      3.611665
  N      -1.630343     -5.343718      4.404541
  C      -0.698271     -6.137209      3.598699
  C      -1.334607     -6.403085      2.243514
  H      -0.480618     -7.080235      4.127331
  H       0.257365     -5.604718      3.466706
  H      -0.951821     -7.332389      1.793503
  H      -1.122188     -5.577354      1.559165
  H      -4.571985     -8.237742      4.733448
  H      -3.105361     -7.387909      5.271991
  H      -3.925843     -8.283117      2.477465
  H      -2.329378     -8.406893      3.244037
  H      -2.420515     -4.994951     -0.111972
  H      -4.144816     -4.591422      0.022669
  H      -3.302302     -7.138502      0.440455
  H      -4.628451     -6.413729      1.433118
  C      -2.434782     -2.847067      1.374308
  C      -2.161039     -2.367498      0.074061
  C      -1.699344     -1.071330     -0.085815
  C      -1.530028     -0.217012      1.023433
  C      -1.776185     -0.675609      2.305481
  C      -2.178981     -2.011460      2.494702
  N      -2.448668     -2.594158      3.718557
  C      -1.895241     -2.078681      4.826361
  C      -0.569237     -1.529669      4.995693
  O      -0.192835     -0.853671      5.920367
  Cl      0.673611     -2.155863      3.785032
  C      -5.781146     -5.924556      4.708100
  C      -6.593031     -6.780265      5.493311
  C      -7.890184     -6.410976      5.793423
  C      -8.423314     -5.192443      5.319550
  C      -7.640960     -4.324337      4.574771
  C      -6.304357     -4.665654      4.277875
  N      -5.422177     -3.891250      3.522200
  C      -5.780792     -2.607174      3.289794
  C      -5.491334     -1.931045      2.064659
  O      -5.168885     -2.391102      0.990719
  Cl     -5.794575     -0.134577      2.229032
  C      -1.362763     -5.202386      5.726739
  C      -0.157871     -5.609770      6.357782
  C       0.043568     -5.331572      7.693415
  C      -0.928808     -4.626575      8.442875
  C      -2.120495     -4.249110      7.863897
  C      -2.385193     -4.575506      6.512319
  N      -3.519521     -4.212168      5.827948
  C      -4.644918     -3.785575      6.411357
  C      -5.178991     -4.279022      7.663199
  O      -4.823149     -5.203240      8.352553
  Cl     -6.691254     -3.344137      8.091837
  H      -2.351112     -2.986773     -0.800311
  H      -1.505081     -0.692518     -1.089943
  H      -1.222841      0.817377      0.868663
  H      -1.682998     -0.009139      3.162800
  H      -2.434249     -2.174895      5.766250
  H      -6.188448     -7.714228      5.881086
  H      -8.507919     -7.064871      6.409765
  H      -9.451676     -4.922237      5.562011
  H      -8.056507     -3.381194      4.218819
  H      -6.443540     -2.094311      3.990226
  H       0.626418     -6.095873      5.780494
  H       0.983296     -5.618802      8.166649
  H      -0.722354     -4.358591      9.479140
  H      -2.845697     -3.670829      8.431497
  H      -5.278890     -3.104914      5.853388
  N      -6.729220     -6.066904      2.036867
  N      -8.033280     -5.704776      1.551048
  H      -8.556183     -6.528120      1.201600
  H      -8.593799     -5.327170      2.341193
  H      -8.041561     -4.984626      0.800419
76
Coordinates from ORCA-job orca E -7354.124085698960
  N      -2.959262     -4.064628      1.682420
  C      -3.267087     -4.966226      0.575957
  C      -3.565972     -6.339546      1.146450
  N      -2.808222     -6.492704      2.416435
  C      -3.208804     -7.763596      3.112070
  C      -3.854963     -7.449961      4.460750
  N      -4.510371     -6.166999      4.296834
  Mo     -3.366859     -4.619680      3.604008
  N      -1.632631     -5.342663      4.401347
  C      -0.700174     -6.137598      3.597102
  C      -1.332916     -6.403490      2.240022
  H      -0.484896     -7.080560      4.126935
  H       0.256780     -5.607107      3.466495
  H      -0.948555     -7.332782      1.791440
  H      -1.117576     -5.577716      1.556632
  H      -4.567545     -8.242277      4.726320
  H      -3.100827     -7.392297      5.261071
  H      -3.928876     -8.280270      2.465927
  H      -2.330899     -8.411554      3.228851
  H      -2.413119     -4.998154     -0.119192
  H      -4.138293     -4.588298      0.017153
  H      -3.307408     -7.141040      0.436253
  H      -4.621893     -6.398187      1.436033
  C      -2.424665     -2.849033      1.370910
  C      -2.142135     -2.371327      0.071599
  C      -1.679371     -1.075800     -0.088143
  C      -1.517283     -0.219078      1.020701
  C      -1.771555     -0.675897      2.301482
  C      -2.175451     -2.011549      2.491231
  N      -2.453253     -2.591001      3.714682
  C      -1.907040     -2.073668      4.824193
  C      -0.584319     -1.518174      5.000732
  O      -0.217424     -0.836400      5.924700
  Cl      0.669407     -2.145941      3.802245
  C      -5.781295     -5.931321      4.693952
  C      -6.594814     -6.790294      5.474259
  C      -7.894045     -6.425816      5.771671
  C      -8.426900     -5.205285      5.302612
  C      -7.642797     -4.333027      4.563194
  C      -6.306785     -4.673962      4.262743
  N      -5.424206     -3.894126      3.510306
  C      -5.786348     -2.611562      3.280836
  C      -5.485111     -1.931518      2.059716
  O      -5.154464     -2.388823      0.987389
  Cl     -5.788256     -0.135532      2.225899
  C      -1.367996     -5.201383      5.724005
  C      -0.163892     -5.608688      6.356637
  C       0.036176     -5.330535      7.692448
  C      -0.937615     -4.625459      8.440112
  C      -2.128537     -4.248369      7.859248
  C      -2.391817     -4.574666      6.507422
  N      -3.524870     -4.211384      5.820705
  C      -4.651172     -3.783793      6.401633
  C      -5.189098     -4.273663      7.653122
  O      -4.835751     -5.195498      8.346921
  Cl     -6.702731     -3.337021      8.074168
  H      -2.326371     -2.992720     -0.802501
  H      -1.478591     -0.699119     -1.091762
  H      -1.209821      0.815195      0.866091
  H      -1.684471     -0.007344      3.157832
  H      -2.449798     -2.172393      5.761706
  H      -6.190121     -7.724584      5.861133
  H      -8.511706     -7.083454      6.383961
  H      -9.454816     -4.934177      5.545836
  H      -8.060908     -3.387158      4.217605
  H      -6.456666     -2.099321      3.974155
  H       0.620726     -6.094820      5.779868
  H       0.975277     -5.617661      8.166880
  H      -0.733167     -4.357206      9.476678
  H      -2.853975     -3.670589      8.426916
  H      -5.285093     -3.105919      5.840103
  N      -6.702718     -6.069322      2.052974
  N      -8.028389     -5.692877      1.641639
  H      -8.579694     -6.498983      1.297127
  H      -8.538883     -5.325904      2.471726
  H      -8.057626     -4.949291      0.916183
76
Coordinates from ORCA-job orca E -7354.124488386302
  N      -2.954955     -4.067354      1.676140
  C      -3.259986     -4.964682      0.565444
  C      -3.564204     -6.337613      1.133991
  N      -2.811396     -6.493469      2.407416
  C      -3.216452     -7.766662      3.096705
  C      -3.859212     -7.455155      4.446781
  N      -4.513069     -6.171041      4.287430
  Mo     -3.371097     -4.622370      3.596809
  N      -1.637096     -5.342004      4.398104
  C      -0.706073     -6.140529      3.595919
  C      -1.335450     -6.406291      2.237106
  H      -0.494061     -7.083293      4.127576
  H       0.253101     -5.613779      3.465973
  H      -0.950410     -7.336277      1.790619
  H      -1.115615     -5.581294      1.554142
  H      -4.570022     -8.248019      4.715082
  H      -3.103099     -7.398660      5.245502
  H      -3.940858     -8.275368      2.449110
  H      -2.341462     -8.419411      3.207873
  H      -2.404619     -4.998223     -0.127169
  H      -4.132023     -4.584722      0.009639
  H      -3.310006     -7.144118      0.428525
  H      -4.618626     -6.386283      1.427378
  C      -2.415607     -2.852446      1.368969
  C      -2.123239     -2.377065      0.070470
  C      -1.656586     -1.083477     -0.090124
  C      -1.499325     -0.224052      1.017746
  C      -1.762544     -0.678284      2.297023
  C      -2.170600     -2.012915      2.488411
  N      -2.458683     -2.585556      3.712375
  C      -1.922334     -2.064816      4.823248
  C      -0.603885     -1.500431      5.009400
  O      -0.250324     -0.812623      5.933744
  Cl      0.664606     -2.132226      3.830079
  C      -5.784729     -5.936595      4.682578
  C      -6.600799     -6.799370      5.456498
  C      -7.898428     -6.434512      5.760989
  C      -8.426370     -5.205171      5.309459
  C      -7.640066     -4.328480      4.576040
  C      -6.309194     -4.675815      4.258969
  N      -5.430026     -3.892972      3.505552
  C      -5.790199     -2.610254      3.280382
  C      -5.477655     -1.928609      2.062118
  O      -5.141957     -2.386336      0.991581
  Cl     -5.769811     -0.132021      2.228766
  C      -1.372642     -5.197121      5.720174
  C      -0.168563     -5.602087      6.354428
  C       0.030219     -5.320387      7.689635
  C      -0.945563     -4.614302      8.434089
  C      -2.136427     -4.239668      7.851313
  C      -2.397937     -4.568955      6.500088
  N      -3.530612     -4.211194      5.809995
  C      -4.658719     -3.787263      6.392598
  C      -5.194947     -4.280811      7.642320
  O      -4.838203     -5.200856      8.336953
  Cl     -6.717882     -3.355334      8.059364
  H      -2.303552     -3.000508     -0.802907
  H      -1.449410     -0.710180     -1.093683
  H      -1.189615      0.809458      0.862983
  H      -1.680895     -0.007626      3.152276
  H      -2.470163     -2.165843      5.757637
  H      -6.199611     -7.738919      5.834139
  H      -8.515958     -7.097126      6.367876
  H      -9.450447     -4.928095      5.561859
  H      -8.057529     -3.375394      4.250357
  H      -6.462545     -2.094859      3.969210
  H       0.615850     -6.089379      5.778435
  H       0.968939     -5.605451      8.165935
  H      -0.743354     -4.343191      9.470334
  H      -2.862182     -3.662153      8.418913
  H      -5.297055     -3.114131      5.830256
  N      -6.670021     -6.081268      2.040945
  N      -8.013372     -5.700033      1.705547
  H      -8.589181     -6.490846      1.366593
  H      -8.473958     -5.344276      2.572617
  H      -8.062811     -4.936128      1.004135
76
Coordinates from ORCA-job orca E -7354.124767050993
  N      -2.954020     -4.069259      1.673953
  C      -3.253684     -4.964766      0.559320
  C      -3.566449     -6.336695      1.125867
  N      -2.817699     -6.494280      2.402709
  C      -3.226856     -7.768392      3.087525
  C      -3.863687     -7.458098      4.439700
  N      -4.517207     -6.173636      4.283470
  Mo     -3.375534     -4.623660      3.594474
  N      -1.640754     -5.342896      4.395876
  C      -0.712506     -6.145376      3.594803
  C      -1.341123     -6.409636      2.235677
  H      -0.504032     -7.088529      4.127243
  H       0.248896     -5.622535      3.465186
  H      -0.956930     -7.340360      1.789958
  H      -1.118367     -5.585319      1.552813
  H      -4.573548     -8.251058      4.710104
  H      -3.105056     -7.402399      5.236164
  H      -3.956687     -8.269830      2.440379
  H      -2.354835     -8.426139      3.192620
  H      -2.393448     -4.999610     -0.126950
  H      -4.121305     -4.582117     -0.001509
  H      -3.313917     -7.146180      0.423599
  H      -4.624695     -6.378310      1.416006
  C      -2.408665     -2.855592      1.369676
  C      -2.107936     -2.382872      0.071798
  C      -1.636592     -1.091221     -0.089467
  C      -1.482198     -0.229686      1.017181
  C      -1.753269     -0.680950      2.295573
  C      -2.165939     -2.014269      2.488275
  N      -2.463578     -2.580331      3.712974
  C      -1.936659     -2.056167      4.825208
  C      -0.622835     -1.481246      5.018801
  O      -0.283245     -0.782580      5.940016
  Cl      0.657289     -2.105576      3.849929
  C      -5.790656     -5.942941      4.673024
  C      -6.610916     -6.812553      5.435053
  C      -7.910140     -6.451343      5.737622
  C      -8.435203     -5.217069      5.297426
  C      -7.645663     -4.334068      4.573386
  C      -6.314478     -4.679558      4.255408
  N      -5.435730     -3.891098      3.507391
  C      -5.795300     -2.608400      3.286094
  C      -5.469956     -1.918283      2.075633
  O      -5.128211     -2.370355      1.004592
  Cl     -5.765969     -0.124032      2.249924
  C      -1.373704     -5.196275      5.716938
  C      -0.169704     -5.601884      6.350808
  C       0.030157     -5.317371      7.685252
  C      -0.944266     -4.607904      8.428404
  C      -2.134992     -4.232304      7.845746
  C      -2.397513     -4.564675      6.495645
  N      -3.529734     -4.208061      5.805043
  C      -4.652276     -3.775715      6.394356
  C      -5.179865     -4.262955      7.649156
  O      -4.818327     -5.178181      8.347943
  Cl     -6.682803     -3.313297      8.089124
  H      -2.285888     -3.007510     -0.801156
  H      -1.423874     -0.721074     -1.093065
  H      -1.169334      0.802810      0.862002
  H      -1.675597     -0.008607      3.149898
  H      -2.488814     -2.159711      5.756839
  H      -6.211958     -7.756072      5.805064
  H      -8.529915     -7.120652      6.334754
  H      -9.459261     -4.939996      5.549830
  H      -8.062487     -3.377465      4.257879
  H      -6.474438     -2.096705      3.971129
  H       0.612927     -6.091837      5.774581
  H       0.968559     -5.602776      8.161985
  H      -0.741524     -4.334747      9.464035
  H      -2.859368     -3.652868      8.413465
  H      -5.288548     -3.096736      5.837474
  N      -6.651897     -6.102230      2.011010
  N      -8.008957     -5.718812      1.738925
  H      -8.604613     -6.496363      1.402034
  H      -8.426062     -5.378422      2.635625
  H      -8.079221     -4.936911      1.059558
76
Coordinates from ORCA-job orca E -7354.125003978274
  N      -2.955888     -4.071289      1.675964
  C      -3.249332     -4.964578      0.556936
  C      -3.570923     -6.335439      1.120571
  N      -2.828262     -6.495296      2.401784
  C      -3.244667     -7.768935      3.082376
  C      -3.873400     -7.457897      4.437016
  N      -4.525130     -6.172139      4.283620
  Mo     -3.379699     -4.623310      3.597338
  N      -1.642839     -5.344312      4.395402
  C      -0.720438     -6.154185      3.595300
  C      -1.350719     -6.416477      2.237039
  H      -0.516818     -7.097634      4.129150
  H       0.244173     -5.637535      3.464277
  H      -0.970358     -7.349187      1.792071
  H      -1.124165     -5.594062      1.553172
  H      -4.583470     -8.249644      4.710287
  H      -3.111533     -7.403409      5.230498
  H      -3.982048     -8.260850      2.436569
  H      -2.377491     -8.434264      3.180520
  H      -2.383485     -4.998647     -0.122117
  H      -4.111081     -4.578548     -0.010691
  H      -3.317264     -7.146802      0.420896
  H      -4.635778     -6.375304      1.398054
  C      -2.403838     -2.859101      1.373648
  C      -2.099288     -2.388844      0.075393
  C      -1.624218     -1.098967     -0.088194
  C      -1.469543     -0.235165      1.016428
  C      -1.744083     -0.683451      2.294825
  C      -2.159193     -2.015941      2.490512
  N      -2.462835     -2.574267      3.717363
  C      -1.944104     -2.046826      4.830296
  C      -0.632553     -1.466436      5.032947
  O      -0.306509     -0.762692      5.955042
  Cl      0.665174     -2.115136      3.900264
  C      -5.797436     -5.940573      4.674489
  C      -6.622907     -6.815083      5.425001
  C      -7.921276     -6.451981      5.730448
  C      -8.440614     -5.211484      5.303444
  C      -7.647367     -4.325301      4.585705
  C      -6.316102     -4.670811      4.268468
  N      -5.439350     -3.882273      3.521177
  C      -5.793016     -2.598364      3.300582
  C      -5.459305     -1.903470      2.095032
  O      -5.111946     -2.352860      1.024524
  Cl     -5.735863     -0.108627      2.279828
  C      -1.367759     -5.189428      5.713598
  C      -0.161429     -5.591917      6.344826
  C       0.044338     -5.295396      7.675642
  C      -0.925190     -4.576287      8.416007
  C      -2.118420     -4.203729      7.836246
  C      -2.388161     -4.550480      6.491208
  N      -3.524638     -4.204923      5.801646
  C      -4.646935     -3.776561      6.399070
  C      -5.171551     -4.279846      7.647119
  O      -4.823391     -5.218087      8.322208
  Cl     -6.702291     -3.366357      8.074472
  H      -2.278437     -3.014127     -0.796760
  H      -1.410119     -0.732013     -1.092709
  H      -1.154697      0.796524      0.859796
  H      -1.668906     -0.009399      3.147978
  H      -2.501751     -2.149606      5.758704
  H      -6.229241     -7.765367      5.783083
  H      -8.544602     -7.126710      6.317734
  H      -9.464062     -4.932691      5.556297
  H      -8.061059     -3.365815      4.275804
  H      -6.472206     -2.086991      3.986023
  H       0.617169     -6.088258      5.768539
  H       0.984254     -5.577677      8.151309
  H      -0.717051     -4.292883      9.447848
  H      -2.837724     -3.616645      8.402271
  H      -5.287026     -3.096865      5.847814
  N      -6.645629     -6.130284      1.959049
  N      -8.011286     -5.753471      1.732829
  H      -8.617611     -6.524010      1.396399
  H      -8.398516     -5.427397      2.648929
  H      -8.101877     -4.960479      1.068552
76
Coordinates from ORCA-job orca E -7354.125256701741
  N      -2.953231     -4.068394      1.675814
  C      -3.243015     -4.962486      0.555733
  C      -3.574533     -6.330515      1.119297
  N      -2.832526     -6.493920      2.400467
  C      -3.255613     -7.765567      3.080280
  C      -3.876509     -7.452820      4.438131
  N      -4.527850     -6.166482      4.285281
  Mo     -3.379211     -4.620677      3.597042
  N      -1.642470     -5.343606      4.392861
  C      -0.723974     -6.161150      3.595441
  C      -1.354118     -6.420888      2.236890
  H      -0.527369     -7.105235      4.130746
  H       0.243912     -5.650446      3.465691
  H      -0.977381     -7.355215      1.792167
  H      -1.123972     -5.599738      1.552998
  H      -4.587741     -8.242879      4.713143
  H      -3.111385     -7.399191      5.228250
  H      -3.999958     -8.250436      2.437210
  H      -2.393086     -8.437893      3.173470
  H      -2.371303     -4.999107     -0.116235
  H      -4.095042     -4.572724     -0.024101
  H      -3.323803     -7.141569      0.418001
  H      -4.642105     -6.366782      1.391401
  C      -2.394735     -2.858999      1.373557
  C      -2.084419     -2.391656      0.075774
  C      -1.604369     -1.103295     -0.087425
  C      -1.450653     -0.238796      1.016258
  C      -1.731118     -0.684251      2.294689
  C      -2.150678     -2.015187      2.490218
  N      -2.460199     -2.570544      3.717217
  C      -1.943618     -2.042428      4.830287
  C      -0.634579     -1.454003      5.031656
  O      -0.315279     -0.738808      5.947231
  Cl      0.664014     -2.087218      3.893104
  C      -5.800350     -5.933495      4.675578
  C      -6.629446     -6.809769      5.419626
  C      -7.930528     -6.448075      5.716635
  C      -8.449147     -5.209392      5.285625
  C      -7.651483     -4.321465      4.574222
  C      -6.316020     -4.662280      4.271986
  N      -5.437236     -3.875726      3.524855
  C      -5.791678     -2.592427      3.304971
  C      -5.455966     -1.885672      2.106867
  O      -5.106400     -2.324239      1.032910
  Cl     -5.721871     -0.091910      2.314509
  C      -1.364344     -5.182410      5.710013
  C      -0.158443     -5.583930      6.342384
  C       0.046747     -5.283774      7.672572
  C      -0.922566     -4.563182      8.411627
  C      -2.116091     -4.192043      7.831537
  C      -2.384779     -4.541199      6.486733
  N      -3.524616     -4.204409      5.798360
  C      -4.654143     -3.794485      6.395954
  C      -5.173411     -4.315136      7.638545
  O      -4.798637     -5.238200      8.320418
  Cl     -6.707962     -3.414584      8.082328
  H      -2.262524     -3.016660     -0.796780
  H      -1.385602     -0.738290     -1.091676
  H      -1.131692      0.791624      0.859327
  H      -1.657143     -0.009402      3.147279
  H      -2.501117     -2.146079      5.758442
  H      -6.237061     -7.760979      5.776487
  H      -8.557841     -7.124546      6.297741
  H      -9.476085     -4.934367      5.528396
  H      -8.063116     -3.364241      4.254557
  H      -6.475956     -2.089766      3.992020
  H       0.620104     -6.082829      5.768230
  H       0.986302     -5.565499      8.149382
  H      -0.714084     -4.278108      9.442969
  H      -2.836490     -3.604343      8.395635
  H      -5.305369     -3.125227      5.844153
  N      -6.647353     -6.150151      1.936502
  N      -8.025178     -5.782314      1.762695
  H      -8.643601     -6.549371      1.438758
  H      -8.373339     -5.470811      2.698267
  H      -8.149159     -4.982507      1.111606
76
Coordinates from ORCA-job orca E -7354.125494111165
  N      -2.952350     -4.066679      1.680165
  C      -3.243816     -4.960379      0.560786
  C      -3.578366     -6.326506      1.124694
  N      -2.837756     -6.492411      2.405089
  C      -3.266170     -7.761821      3.086171
  C      -3.880886     -7.444839      4.446218
  N      -4.532891     -6.158843      4.289007
  Mo     -3.379202     -4.617484      3.602471
  N      -1.639166     -5.341581      4.391515
  C      -0.726844     -6.168074      3.595518
  C      -1.359304     -6.426324      2.238618
  H      -0.537161     -7.112081      4.133549
  H       0.244643     -5.664777      3.464206
  H      -0.988256     -7.362980      1.794124
  H      -1.126292     -5.607145      1.553512
  H      -4.591886     -8.233766      4.724875
  H      -3.113888     -7.387972      5.233998
  H      -4.017458     -8.240369      2.446554
  H      -2.408382     -8.440866      3.175483
  H      -2.371476     -4.998410     -0.110580
  H      -4.092376     -4.568130     -0.022622
  H      -3.327168     -7.137092      0.422341
  H      -4.644888     -6.366112      1.387724
  C      -2.391350     -2.859339      1.376037
  C      -2.082129     -2.394143      0.077204
  C      -1.601221     -1.106298     -0.088466
  C      -1.446600     -0.240018      1.013371
  C      -1.726738     -0.683151      2.292809
  C      -2.145380     -2.013959      2.490999
  N      -2.456150     -2.565775      3.719209
  C      -1.943163     -2.035364      4.831936
  C      -0.635617     -1.442442      5.035909
  O      -0.323600     -0.724566      5.951795
  Cl      0.673525     -2.098274      3.924861
  C      -5.809985     -5.926176      4.667311
  C      -6.648886     -6.807257      5.393762
  C      -7.957332     -6.450918      5.666028
  C      -8.473279     -5.214561      5.226582
  C      -7.664375     -4.321082      4.535011
  C      -6.321240     -4.654471      4.262078
  N      -5.432064     -3.865082      3.531705
  C      -5.781985     -2.579589      3.316599
  C      -5.428107     -1.858224      2.132078
  O      -5.070882     -2.284300      1.055998
  Cl     -5.702047     -0.068272      2.358217
  C      -1.353583     -5.174764      5.706589
  C      -0.145865     -5.574872      6.335843
  C       0.062211     -5.273383      7.665534
  C      -0.906081     -4.554368      8.407280
  C      -2.101476     -4.184553      7.830092
  C      -2.371418     -4.533111      6.485590
  N      -3.514836     -4.200560      5.802215
  C      -4.640223     -3.794048      6.411196
  C      -5.140176     -4.319362      7.658955
  O      -4.743065     -5.232856      8.341138
  Cl     -6.673387     -3.427135      8.126023
  H      -2.261582     -3.019442     -0.794810
  H      -1.383176     -0.743143     -1.093533
  H      -1.127601      0.790092      0.854537
  H      -1.653735     -0.006417      3.143882
  H      -2.503874     -2.136194      5.758354
  H      -6.260089     -7.758894      5.753092
  H      -8.593374     -7.131399      6.232838
  H      -9.507242     -4.946536      5.446225
  H      -8.072549     -3.366720      4.202269
  H      -6.473271     -2.084457      4.002329
  H       0.631204     -6.075078      5.760827
  H       1.002894     -5.554448      8.140489
  H      -0.695216     -4.269957      9.438311
  H      -2.823819     -3.599237      8.395183
  H      -5.298372     -3.123945      5.869035
  N      -6.667014     -6.178730      1.919243
  N      -8.051879     -5.830098      1.782349
  H      -8.669703     -6.606034      1.478895
  H      -8.377879     -5.522547      2.726602
  H      -8.208468     -5.034476      1.133767
76
Coordinates from ORCA-job orca E -7354.125607239325
  N      -2.951908     -4.065288      1.685830
  C      -3.249026     -4.956045      0.566732
  C      -3.582205     -6.322128      1.129280
  N      -2.844875     -6.491472      2.408769
  C      -3.278217     -7.759738      3.089588
  C      -3.889557     -7.438913      4.450428
  N      -4.542674     -6.153765      4.287256
  Mo     -3.383287     -4.616468      3.608314
  N      -1.638595     -5.340606      4.389066
  C      -0.731991     -6.175034      3.594316
  C      -1.366738     -6.431930      2.239220
  H      -0.548871     -7.118547      4.135634
  H       0.242958     -5.679115      3.461070
  H      -1.001293     -7.370514      1.794373
  H      -1.131209     -5.614088      1.553263
  H      -4.599004     -8.227746      4.733234
  H      -3.121849     -7.376766      5.236854
  H      -4.035249     -8.231912      2.452072
  H      -2.424934     -8.444789      3.176008
  H      -2.379702     -4.994889     -0.108495
  H      -4.098858     -4.561100     -0.013189
  H      -3.327671     -7.131238      0.425504
  H      -4.646293     -6.370159      1.381894
  C      -2.381830     -2.862761      1.382735
  C      -2.065011     -2.400828      0.084372
  C      -1.573240     -1.117141     -0.081275
  C      -1.415451     -0.250660      1.019991
  C      -1.704213     -0.690016      2.298755
  C      -2.133940     -2.017343      2.497286
  N      -2.455377     -2.563269      3.724818
  C      -1.947864     -2.032394      4.838178
  C      -0.644657     -1.428686      5.043105
  O      -0.343924     -0.689756      5.945718
  Cl      0.659476     -2.035316      3.901125
  C      -5.823311     -5.920369      4.655966
  C      -6.670402     -6.804578      5.368381
  C      -7.982165     -6.448271      5.626293
  C      -8.492534     -5.209390      5.186970
  C      -7.673982     -4.312643      4.511075
  C      -6.328724     -4.646708      4.251995
  N      -5.429465     -3.854886      3.538112
  C      -5.773076     -2.564685      3.336538
  C      -5.413658     -1.828408      2.162367
  O      -5.064602     -2.241143      1.078832
  Cl     -5.682379     -0.041339      2.414133
  C      -1.344168     -5.167235      5.701531
  C      -0.131682     -5.561071      6.324856
  C       0.082997     -5.253871      7.652409
  C      -0.883317     -4.535431      8.397131
  C      -2.083261     -4.171957      7.825286
  C      -2.359236     -4.527003      6.483962
  N      -3.508475     -4.201641      5.807106
  C      -4.628694     -3.796250      6.428783
  C      -5.116717     -4.332835      7.675787
  O      -4.717113     -5.257384      8.341621
  Cl     -6.668012     -3.471811      8.143331
  H      -2.246035     -3.024932     -0.788104
  H      -1.349001     -0.757056     -1.086050
  H      -1.088196      0.776815      0.861152
  H      -1.630724     -0.012062      3.148795
  H      -2.511110     -2.134233      5.763111
  H      -6.286488     -7.758114      5.727649
  H      -8.624908     -7.130538      6.183331
  H      -9.529559     -4.942971      5.393727
  H      -8.076628     -3.357614      4.173250
  H      -6.462765     -2.076229      4.028707
  H       0.643767     -6.061179      5.747560
  H       1.027399     -5.529627      8.122998
  H      -0.666951     -4.246636      9.425773
  H      -2.806168     -3.587270      8.390880
  H      -5.290581     -3.121555      5.897877
  N      -6.693888     -6.213849      1.901227
  N      -8.081990     -5.890344      1.790598
  H      -8.689823     -6.682966      1.511224
  H      -8.399689     -5.580246      2.737728
  H      -8.270196     -5.104641      1.139064
76
Coordinates from ORCA-job orca E -7354.125960612277
  N      -2.946996     -4.062953      1.683118
  C      -3.250058     -4.951391      0.563643
  C      -3.583169     -6.318316      1.124923
  N      -2.848483     -6.490720      2.404075
  C      -3.286586     -7.758651      3.082701
  C      -3.896830     -7.435802      4.443145
  N      -4.549899     -6.151040      4.276191
  Mo     -3.386744     -4.616527      3.604330
  N      -1.639912     -5.338237      4.382254
  C      -0.735898     -6.178530      3.590530
  C      -1.370267     -6.435333      2.235450
  H      -0.558491     -7.121116      4.135414
  H       0.241778     -5.688122      3.457171
  H      -1.007305     -7.375038      1.791100
  H      -1.132169     -5.618225      1.549210
  H      -4.605092     -8.224707      4.728847
  H      -3.128771     -7.370246      5.228814
  H      -4.047219     -8.225322      2.445359
  H      -2.436832     -8.448158      3.167426
  H      -2.383784     -4.992503     -0.115290
  H      -4.101659     -4.554078     -0.012220
  H      -3.326956     -7.126307      0.420123
  H      -4.647715     -6.370313      1.375024
  C      -2.369007     -2.864144      1.382980
  C      -2.041891     -2.404514      0.086105
  C      -1.545486     -1.122612     -0.077837
  C      -1.394147     -0.254368      1.023262
  C      -1.692295     -0.691416      2.300424
  C      -2.124387     -2.018218      2.498409
  N      -2.457132     -2.561085      3.724177
  C      -1.960936     -2.030534      4.841789
  C      -0.659360     -1.426680      5.062254
  O      -0.370428     -0.692315      5.972154
  Cl      0.667148     -2.070145      3.968622
  C      -5.831617     -5.916387      4.640663
  C      -6.681782     -6.800396      5.349831
  C      -7.991701     -6.439279      5.610536
  C      -8.496472     -5.194860      5.178681
  C      -7.674010     -4.298783      4.505580
  C      -6.332547     -4.640624      4.238939
  N      -5.427188     -3.847956      3.531732
  C      -5.766363     -2.554093      3.344115
  C      -5.401673     -1.804450      2.179641
  O      -5.043701     -2.203682      1.094233
  Cl     -5.636244     -0.017081      2.463267
  C      -1.341302     -5.157396      5.693008
  C      -0.124484     -5.541801      6.313327
  C       0.094369     -5.226023      7.638290
  C      -0.872016     -4.507325      8.382630
  C      -2.076155     -4.153469      7.813552
  C      -2.356816     -4.519366      6.476069
  N      -3.511673     -4.205281      5.802433
  C      -4.634480     -3.808245      6.426617
  C      -5.124236     -4.360087      7.666083
  O      -4.715262     -5.281266      8.331263
  Cl     -6.678039     -3.507166      8.140911
  H      -2.219244     -3.028476     -0.787209
  H      -1.313925     -0.764278     -1.081578
  H      -1.065042      0.772596      0.865087
  H      -1.625108     -0.011236      3.149184
  H      -2.534833     -2.131797      5.760407
  H      -6.301227     -7.756070      5.706945
  H      -8.636376     -7.120240      6.166950
  H      -9.531469     -4.923688      5.389545
  H      -8.072074     -3.340042      4.172916
  H      -6.454720     -2.070992      4.041215
  H       0.651503     -6.040780      5.735718
  H       1.042446     -5.493667      8.106148
  H      -0.652069     -4.210846      9.408322
  H      -2.799705     -3.568045      8.377173
  H      -5.300617     -3.136425      5.897640
  N      -6.708280     -6.242886      1.891113
  N      -8.104899     -5.947759      1.823783
  H      -8.708179     -6.754114      1.574001
  H      -8.399016     -5.632747      2.778997
  H      -8.329386     -5.170401      1.173349
76
Coordinates from ORCA-job orca E -7354.126180848320
  N      -2.941796     -4.058881      1.680202
  C      -3.256716     -4.944827      0.561305
  C      -3.587573     -6.313502      1.122974
  N      -2.851521     -6.489269      2.400125
  C      -3.294353     -7.756553      3.076871
  C      -3.908037     -7.431457      4.434497
  N      -4.558371     -6.145918      4.263306
  Mo     -3.388729     -4.615856      3.600181
  N      -1.639570     -5.333482      4.375240
  C      -0.737604     -6.178742      3.586415
  C      -1.373173     -6.437253      2.231800
  H      -0.564207     -7.119684      4.135384
  H       0.242043     -5.692786      3.451703
  H      -1.012076     -7.377977      1.788157
  H      -1.134056     -5.621097      1.544463
  H      -4.616880     -8.219587      4.720964
  H      -3.141696     -7.364171      5.221733
  H      -4.055718     -8.219845      2.437817
  H      -2.447050     -8.448739      3.162921
  H      -2.397626     -4.988902     -0.126260
  H      -4.113835     -4.545185     -0.004730
  H      -3.332385     -7.119953      0.415983
  H      -4.653845     -6.370180      1.377077
  C      -2.357747     -2.863178      1.382572
  C      -2.022570     -2.404917      0.087017
  C      -1.520395     -1.125262     -0.074632
  C      -1.371358     -0.256718      1.027051
  C      -1.676916     -0.692089      2.302679
  C      -2.113880     -2.017594      2.499399
  N      -2.456820     -2.558193      3.723095
  C      -1.968688     -2.028889      4.843969
  C      -0.669016     -1.423034      5.075203
  O      -0.389113     -0.692178      5.990405
  Cl      0.671209     -2.085145      4.010870
  C      -5.840361     -5.908041      4.623531
  C      -6.694694     -6.789657      5.331161
  C      -8.001245     -6.420660      5.596374
  C      -8.498794     -5.170976      5.168993
  C      -7.672170     -4.278191      4.495632
  C      -6.334528     -4.629014      4.223177
  N      -5.420928     -3.838095      3.521658
  C      -5.749930     -2.539931      3.341207
  C      -5.358556     -1.783692      2.189832
  O      -4.988181     -2.176292      1.106214
  Cl     -5.601604      0.002323      2.479453
  C      -1.337738     -5.143637      5.684647
  C      -0.116524     -5.515638      6.303537
  C       0.102401     -5.194750      7.627422
  C      -0.869709     -4.484513      8.372682
  C      -2.078131     -4.143035      7.805039
  C      -2.356775     -4.511351      6.467713
  N      -3.517585     -4.212584      5.796959
  C      -4.647845     -3.837944      6.422892
  C      -5.127891     -4.406859      7.657871
  O      -4.698157     -5.320960      8.320197
  Cl     -6.709057     -3.601682      8.125875
  H      -2.198016     -3.028200     -0.787222
  H      -1.282648     -0.767896     -1.077298
  H      -1.038942      0.769317      0.869851
  H      -1.612659     -0.010575      3.150628
  H      -2.550079     -2.130345      5.757710
  H      -6.319419     -7.748309      5.685872
  H      -8.649281     -7.098879      6.152254
  H      -9.531144     -4.893267      5.384251
  H      -8.065820     -3.317027      4.165531
  H      -6.439993     -2.054789      4.035005
  H       0.662833     -6.009587      5.726112
  H       1.053830     -5.452942      8.093771
  H      -0.650926     -4.185642      9.397946
  H      -2.807995     -3.565514      8.368669
  H      -5.328910     -3.180667      5.893706
  N      -6.719062     -6.270015      1.900119
  N      -8.123376     -6.005189      1.879072
  H      -8.718774     -6.828609      1.666932
  H      -8.394870     -5.677686      2.838291
  H      -8.389269     -5.242533      1.225768
76
Coordinates from ORCA-job orca E -7354.126362500120
  N      -2.940738     -4.055826      1.681156
  C      -3.267748     -4.936704      0.561747
  C      -3.594277     -6.308301      1.120957
  N      -2.858755     -6.486538      2.397764
  C      -3.303427     -7.754253      3.072299
  C      -3.921941     -7.427416      4.426499
  N      -4.570846     -6.141593      4.251000
  Mo     -3.395175     -4.613918      3.600218
  N      -1.640664     -5.327301      4.367935
  C      -0.741424     -6.175493      3.579334
  C      -1.380757     -6.436155      2.227071
  H      -0.568595     -7.114777      4.131386
  H       0.239046     -5.692388      3.440690
  H      -1.021512     -7.377509      1.783297
  H      -1.143076     -5.620814      1.538062
  H      -4.630374     -8.215626      4.713557
  H      -3.158175     -7.357281      5.216178
  H      -4.063583     -8.216449      2.430995
  H      -2.456649     -8.446695      3.160358
  H      -2.416510     -4.980947     -0.134991
  H      -4.131773     -4.533892      0.008707
  H      -3.335534     -7.112319      0.412257
  H      -4.661116     -6.375275      1.371525
  C      -2.342391     -2.867107      1.387259
  C      -1.993510     -2.413738      0.093163
  C      -1.477894     -1.139743     -0.067280
  C      -1.329112     -0.269795      1.033816
  C      -1.648379     -0.699549      2.307530
  C      -2.097775     -2.021099      2.504580
  N      -2.458313     -2.553272      3.726455
  C      -1.983282     -2.022774      4.851195
  C      -0.686068     -1.415806      5.098368
  O      -0.420444     -0.680845      6.014255
  Cl      0.669454     -2.087218      4.061225
  C      -5.852752     -5.901903      4.608817
  C      -6.711820     -6.784084      5.310158
  C      -8.015615     -6.408821      5.579779
  C      -8.506212     -5.153196      5.160586
  C      -7.675358     -4.261158      4.491041
  C      -6.340207     -4.617773      4.215633
  N      -5.422145     -3.827368      3.520254
  C      -5.744047     -2.524929      3.350307
  C      -5.357044     -1.765419      2.199889
  O      -4.995652     -2.153416      1.111534
  Cl     -5.571430      0.021756      2.506238
  C      -1.331392     -5.128881      5.674778
  C      -0.104032     -5.488171      6.288451
  C       0.118577     -5.161524      7.610451
  C      -0.857002     -4.459132      8.358786
  C      -2.071125     -4.129838      7.795927
  C      -2.351512     -4.501850      6.460074
  N      -3.519073     -4.217918      5.794590
  C      -4.649750     -3.857383      6.430712
  C      -5.111381     -4.438046      7.666063
  O      -4.660954     -5.346475      8.323007
  Cl     -6.699009     -3.655881      8.152831
  H      -2.169029     -3.036791     -0.781240
  H      -1.229753     -0.786648     -1.068946
  H      -0.987159      0.753111      0.876843
  H      -1.586153     -0.015679      3.153712
  H      -2.577227     -2.120210      5.757137
  H      -6.342694     -7.747737      5.657479
  H      -8.667551     -7.087298      6.130734
  H      -9.536742     -4.870884      5.378276
  H      -8.065978     -3.298138      4.163459
  H      -6.424816     -2.038481      4.052037
  H       0.676510     -5.977601      5.708735
  H       1.074490     -5.409937      8.072845
  H      -0.636659     -4.157115      9.382794
  H      -2.805316     -3.559675      8.361776
  H      -5.342974     -3.206531      5.909304
  N      -6.741842     -6.305100      1.891646
  N      -8.147908     -6.070626      1.894560
  H      -8.726228     -6.913532      1.713993
  H      -8.418458     -5.727506      2.849250
  H      -8.446852     -5.328373      1.231919
76
Coordinates from ORCA-job orca E -7354.126498673826
  N      -2.938680     -4.053095      1.683363
  C      -3.277638     -4.929670      0.563483
  C      -3.604384     -6.303164      1.120765
  N      -2.865892     -6.484680      2.396224
  C      -3.310625     -7.753070      3.069278
  C      -3.935817     -7.425347      4.419807
  N      -4.582651     -6.138776      4.240788
  Mo     -3.400413     -4.613377      3.601086
  N      -1.642086     -5.323652      4.361717
  C      -0.745019     -6.172836      3.571759
  C      -1.388439     -6.435281      2.221907
  H      -0.570967     -7.111008      4.125380
  H       0.235329     -5.690768      3.429055
  H      -1.030453     -7.377078      1.778041
  H      -1.152925     -5.620823      1.531222
  H      -4.645644     -8.213002      4.704543
  H      -3.175771     -7.354683      5.213216
  H      -4.066876     -8.217517      2.424983
  H      -2.462513     -8.443281      3.161466
  H      -2.432742     -4.976021     -0.140478
  H      -4.145415     -4.521914      0.020203
  H      -3.346013     -7.105209      0.409777
  H      -4.670775     -6.373958      1.373896
  C      -2.328895     -2.870162      1.392994
  C      -1.968486     -2.420404      0.100463
  C      -1.441334     -1.151183     -0.057909
  C      -1.292695     -0.280816      1.043111
  C      -1.623904     -0.706129      2.315039
  C      -2.084306     -2.024168      2.511403
  N      -2.459220     -2.550173      3.731374
  C      -1.994221     -2.020637      4.859672
  C      -0.700225     -1.409532      5.118518
  O      -0.447146     -0.666321      6.030990
  Cl      0.664646     -2.066893      4.085759
  C      -5.867043     -5.899522      4.588935
  C      -6.733803     -6.784224      5.277933
  C      -8.039249     -6.408200      5.538788
  C      -8.523883     -5.149442      5.121809
  C      -7.685452     -4.254795      4.464761
  C      -6.349025     -4.612198      4.198829
  N      -5.423263     -3.819140      3.516802
  C      -5.740632     -2.514084      3.356354
  C      -5.342023     -1.745035      2.216539
  O      -4.959456     -2.121993      1.131548
  Cl     -5.527915      0.041568      2.547847
  C      -1.325448     -5.118443      5.665994
  C      -0.092329     -5.467136      6.273442
  C       0.136362     -5.133230      7.592657
  C      -0.839317     -4.433967      8.343640
  C      -2.059035     -4.115071      7.786691
  C      -2.344865     -4.494648      6.454112
  N      -3.518877     -4.223232      5.794513
  C      -4.648090     -3.868358      6.438186
  C      -5.099037     -4.453437      7.674480
  O      -4.643905     -5.365703      8.323334
  Cl     -6.685691     -3.677102      8.175184
  H      -2.143658     -3.043062     -0.774296
  H      -1.183689     -0.801195     -1.058294
  H      -0.942131      0.739275      0.886821
  H      -1.563063     -0.020646      3.159984
  H      -2.597045     -2.117668      5.759803
  H      -6.370128     -7.751401      5.620951
  H      -8.697708     -7.088719      6.079340
  H      -9.555566     -4.866134      5.332655
  H      -8.073099     -3.290357      4.137545
  H      -6.424022     -2.031321      4.058023
  H       0.687895     -5.953963      5.690963
  H       1.096823     -5.373158      8.050045
  H      -0.615069     -4.126611      9.365224
  H      -2.794266     -3.547991      8.354352
  H      -5.346437     -3.218380      5.923169
  N      -6.758548     -6.331191      1.899290
  N      -8.170399     -6.130206      1.947029
  H      -8.736789     -6.988212      1.803361
  H      -8.420494     -5.772995      2.902138
  H      -8.511028     -5.408618      1.281408
76
Coordinates from ORCA-job orca E -7354.126653587215
  N      -2.937663     -4.052412      1.687929
  C      -3.285437     -4.923480      0.566581
  C      -3.612170     -6.299896      1.118680
  N      -2.873454     -6.485070      2.395024
  C      -3.318211     -7.754355      3.066117
  C      -3.953961     -7.425982      4.411529
  N      -4.597088     -6.137664      4.229732
  Mo     -3.405598     -4.614874      3.603805
  N      -1.643089     -5.322313      4.356359
  C      -0.748173     -6.171606      3.564355
  C      -1.396279     -6.436988      2.217552
  H      -0.570497     -7.108425      4.119186
  H       0.231152     -5.689088      3.416323
  H      -1.039775     -7.379855      1.774705
  H      -1.162521     -5.624601      1.524112
  H      -4.666976     -8.212379      4.691375
  H      -3.199611     -7.356638      5.210661
  H      -4.066652     -8.224165      2.416609
  H      -2.467273     -8.439897      3.166133
  H      -2.445692     -4.969136     -0.143127
  H      -4.156365     -4.510315      0.032758
  H      -3.350311     -7.098652      0.405326
  H      -4.678491     -6.377096      1.368224
  C      -2.316663     -2.874721      1.402023
  C      -1.946413     -2.427456      0.110972
  C      -1.407914     -1.163060     -0.045191
  C      -1.257949     -0.293126      1.056081
  C      -1.599432     -0.714925      2.326192
  C      -2.070411     -2.029643      2.521707
  N      -2.457877     -2.549375      3.740072
  C      -2.003418     -2.021337      4.872188
  C      -0.712050     -1.408620      5.144914
  O      -0.471300     -0.661150      6.056965
  Cl      0.663443     -2.058450      4.122921
  C      -5.881530     -5.895421      4.575147
  C      -6.755260     -6.779728      5.256008
  C      -8.059103     -6.397633      5.517210
  C      -8.535710     -5.133816      5.106186
  C      -7.690987     -4.240060      4.455872
  C      -6.355863     -4.602550      4.192246
  N      -5.425270     -3.810864      3.517763
  C      -5.733760     -2.502405      3.365590
  C      -5.323841     -1.727692      2.234239
  O      -4.953070     -2.098143      1.142818
  Cl     -5.537663      0.056202      2.565540
  C      -1.317435     -5.107678      5.657123
  C      -0.077859     -5.443836      6.257602
  C       0.157997     -5.098790      7.572727
  C      -0.816916     -4.400227      8.325076
  C      -2.042989     -4.093476      7.774911
  C      -2.335994     -4.485595      6.447568
  N      -3.517623     -4.231573      5.793706
  C      -4.646852     -3.885168      6.444674
  C      -5.088321     -4.478096      7.679530
  O      -4.625006     -5.390402      8.323022
  Cl     -6.669643     -3.702264      8.200278
  H      -2.122943     -3.049040     -0.764210
  H      -1.142503     -0.815563     -1.044437
  H      -0.899067      0.724223      0.900816
  H      -1.539482     -0.028532      3.170385
  H      -2.616452     -2.117031      5.765684
  H      -6.398647     -7.752048      5.591622
  H      -8.723084     -7.077812      6.051392
  H      -9.566233     -4.845744      5.316417
  H      -8.074116     -3.272931      4.131037
  H      -6.416688     -2.020402      4.068403
  H       0.701269     -5.929429      5.672505
  H       1.123437     -5.328513      8.024792
  H      -0.587764     -4.083910      9.342846
  H      -2.777652     -3.527235      8.344018
  H      -5.351587     -3.238119      5.935124
  N      -6.777935     -6.359244      1.889062
  N      -8.192081     -6.188457      1.961392
  H      -8.741381     -7.062380      1.850478
  H      -8.437501     -5.811925      2.910013
  H      -8.565366     -5.494517      1.283819
76
Coordinates from ORCA-job orca E -7354.126779718566
  N      -2.939242     -4.051531      1.690722
  C      -3.294498     -4.918480      0.569082
  C      -3.619269     -6.297496      1.117361
  N      -2.879441     -6.484917      2.393821
  C      -3.322587     -7.754623      3.064979
  C      -3.971589     -7.425135      4.404191
  N      -4.611232     -6.135519      4.218784
  Mo     -3.410559     -4.615788      3.605058
  N      -1.643362     -5.318275      4.349816
  C      -0.749641     -6.166837      3.555960
  C      -1.402501     -6.437570      2.212497
  H      -0.566288     -7.101587      4.112447
  H       0.227627     -5.681993      3.401987
  H      -1.047267     -7.382220      1.772407
  H      -1.170540     -5.628552      1.514705
  H      -4.688455     -8.210198      4.677916
  H      -3.224140     -7.356931      5.209929
  H      -4.060089     -8.233819      2.409764
  H      -2.467219     -8.432679      3.176534
  H      -2.459921     -4.962797     -0.146472
  H      -4.168694     -4.501386      0.043730
  H      -3.353488     -7.092994      0.401830
  H      -4.685383     -6.381437      1.363973
  C      -2.309371     -2.878156      1.407766
  C      -1.931996     -2.433138      0.117627
  C      -1.384352     -1.172750     -0.037284
  C      -1.232452     -0.303084      1.063974
  C      -1.581257     -0.721860      2.332867
  C      -2.060905     -2.033742      2.528103
  N      -2.458503     -2.547322      3.745270
  C      -2.014450     -2.018409      4.879957
  C      -0.726344     -1.402617      5.164196
  O      -0.496287     -0.655171      6.078763
  Cl      0.659580     -2.050748      4.156777
  C      -5.894719     -5.889185      4.565046
  C      -6.772688     -6.771005      5.243576
  C      -8.073636     -6.381677      5.509307
  C      -8.544042     -5.114142      5.101866
  C      -7.695724     -4.223652      4.451984
  C      -6.362523     -4.591843      4.187686
  N      -5.427972     -3.803290      3.517259
  C      -5.726542     -2.491998      3.368364
  C      -5.301311     -1.715869      2.244091
  O      -4.916142     -2.083566      1.156628
  Cl     -5.501921      0.068707      2.582215
  C      -1.310440     -5.095051      5.647737
  C      -0.065803     -5.419356      6.243460
  C       0.172045     -5.069919      7.557308
  C      -0.806758     -4.380393      8.312653
  C      -2.037755     -4.084627      7.766858
  C      -2.330572     -4.478113      6.440151
  N      -3.517685     -4.239604      5.790308
  C      -4.648124     -3.906704      6.448268
  C      -5.070199     -4.503015      7.687123
  O      -4.585548     -5.404627      8.330224
  Cl     -6.663495     -3.755871      8.215744
  H      -2.110426     -3.053893     -0.757684
  H      -1.113541     -0.827374     -1.035826
  H      -0.867036      0.712000      0.909165
  H      -1.521658     -0.034601      3.176363
  H      -2.637324     -2.110722      5.766928
  H      -6.421388     -7.746887      5.574428
  H      -8.740801     -7.059476      6.042583
  H      -9.572827     -4.821101      5.313847
  H      -8.075013     -3.254898      4.127832
  H      -6.408576     -2.007567      4.070315
  H       0.714509     -5.900463      5.656216
  H       1.140858     -5.291130      8.006340
  H      -0.577727     -4.062697      9.330037
  H      -2.776703     -3.527217      8.339677
  H      -5.365280     -3.269851      5.942647
  N      -6.793960     -6.383720      1.881467
  N      -8.208281     -6.238126      1.969076
  H      -8.738798     -7.127599      1.893794
  H      -8.454167     -5.836825      2.907184
  H      -8.608784     -5.577861      1.273501
76
Coordinates from ORCA-job orca E -7354.126850218239
  N      -2.937425     -4.049213      1.689386
  C      -3.299293     -4.913957      0.568228
  C      -3.627241     -6.293189      1.115394
  N      -2.882110     -6.482428      2.389552
  C      -3.320032     -7.752345      3.063201
  C      -3.984923     -7.422398      4.395577
  N      -4.622100     -6.132180      4.206965
  Mo     -3.413559     -4.615227      3.601276
  N      -1.643297     -5.311472      4.340030
  C      -0.748682     -6.156590      3.543606
  C      -1.405597     -6.434489      2.203055
  H      -0.556804     -7.089092      4.100900
  H       0.224780     -5.665857      3.384128
  H      -1.050634     -7.381356      1.767528
  H      -1.175714     -5.629933      1.499653
  H      -4.706969     -8.206004      4.660118
  H      -3.245244     -7.356673      5.208560
  H      -4.041624     -8.247401      2.401923
  H      -2.457364     -8.417986      3.191265
  H      -2.467165     -4.960820     -0.150158
  H      -4.171935     -4.491476      0.044307
  H      -3.362143     -7.086470      0.397365
  H      -4.692940     -6.375797      1.367072
  C      -2.294491     -2.882626      1.408981
  C      -1.903779     -2.443164      0.120779
  C      -1.345339     -1.187324     -0.032234
  C      -1.196569     -0.316161      1.068141
  C      -1.558168     -0.729435      2.335275
  C      -2.047334     -2.037976      2.529866
  N      -2.459566     -2.544495      3.744725
  C      -2.028565     -2.013672      4.882870
  C      -0.743399     -1.397762      5.181762
  O      -0.523999     -0.655800      6.103162
  Cl      0.656763     -2.061817      4.205684
  C      -5.905182     -5.884092      4.553751
  C      -6.783530     -6.764053      5.234078
  C      -8.083770     -6.372806      5.500849
  C      -8.553360     -5.105462      5.091413
  C      -7.704118     -4.216543      4.440767
  C      -6.371097     -4.586008      4.177475
  N      -5.433163     -3.797536      3.510722
  C      -5.729902     -2.485436      3.368728
  C      -5.304993     -1.699885      2.251216
  O      -4.926873     -2.056502      1.157864
  Cl     -5.502947      0.082208      2.607761
  C      -1.305791     -5.083089      5.636311
  C      -0.057687     -5.398133      6.228855
  C       0.179524     -5.049304      7.543372
  C      -0.804358     -4.371921      8.302469
  C      -2.038926     -4.084678      7.759339
  C      -2.328346     -4.473388      6.430824
  N      -3.518770     -4.245786      5.783321
  C      -4.651695     -3.924593      6.443190
  C      -5.057221     -4.516462      7.689131
  O      -4.555562     -5.407187      8.334280
  Cl     -6.674905     -3.812581      8.204201
  H      -2.080726     -3.064328     -0.754513
  H      -1.064129     -0.845740     -1.029224
  H      -0.823422      0.696165      0.913595
  H      -1.501807     -0.040013      3.177223
  H      -2.664562     -2.099557      5.760991
  H      -6.432221     -7.739795      5.565616
  H      -8.751263     -7.048345      6.036651
  H      -9.581975     -4.811482      5.303099
  H      -8.081867     -3.247487      4.115879
  H      -6.414310     -2.007391      4.072577
  H       0.725077     -5.872894      5.639692
  H       1.150496     -5.264534      7.990652
  H      -0.577713     -4.057443      9.321411
  H      -2.783472     -3.538860      8.336631
  H      -5.380102     -3.300679      5.936714
  N      -6.802683     -6.389752      1.893047
  N      -8.219505     -6.267401      2.013993
  H      -8.736549     -7.167904      1.981236
  H      -8.444097     -5.839821      2.945539
  H      -8.652628     -5.641489      1.306120
76
Coordinates from ORCA-job orca E -7354.126990194269
  N      -2.938656     -4.051301      1.695076
  C      -3.307612     -4.911817      0.573554
  C      -3.634161     -6.293272      1.117522
  N      -2.888416     -6.484547      2.391067
  C      -3.323653     -7.755011      3.064992
  C      -4.004120     -7.424407      4.389777
  N      -4.637169     -6.132802      4.197043
  Mo     -3.419151     -4.619623      3.604938
  N      -1.644445     -5.311248      4.335565
  C      -0.750586     -6.154515      3.536700
  C      -1.412380     -6.438606      2.199759
  H      -0.551501     -7.084484      4.095712
  H       0.220041     -5.660218      3.370726
  H      -1.059919     -7.388210      1.768274
  H      -1.183115     -5.638651      1.490921
  H      -4.730398     -8.206887      4.645959
  H      -3.272779     -7.360532      5.210547
  H      -4.031874     -8.260830      2.397352
  H      -2.456429     -8.411602      3.207313
  H      -2.480709     -4.958499     -0.150553
  H      -4.183528     -4.485897      0.057798
  H      -3.365516     -7.084802      0.398767
  H      -4.698965     -6.378691      1.366482
  C      -2.288656     -2.888242      1.417980
  C      -1.891625     -2.450261      0.130850
  C      -1.326902     -1.197375     -0.021023
  C      -1.178226     -0.326042      1.079501
  C      -1.545997     -0.737368      2.345119
  C      -2.040782     -2.044237      2.539547
  N      -2.460470     -2.546145      3.753208
  C      -2.037500     -2.016216      4.893832
  C      -0.754619     -1.399746      5.204075
  O      -0.545172     -0.654322      6.124864
  Cl      0.653988     -2.056578      4.236356
  C      -5.920745     -5.881424      4.540752
  C      -6.803630     -6.760151      5.216580
  C      -8.103420     -6.365459      5.480791
  C      -8.568066     -5.095666      5.072735
  C      -7.713871     -4.207704      4.427188
  C      -6.381193     -4.580790      4.166990
  N      -5.436623     -3.792068      3.511140
  C      -5.724557     -2.477343      3.375218
  C      -5.283452     -1.688112      2.266290
  O      -4.893170     -2.040345      1.175915
  Cl     -5.464131      0.093490      2.634834
  C      -1.298272     -5.073156      5.627959
  C      -0.043289     -5.374187      6.212352
  C       0.201724     -5.012939      7.522210
  C      -0.781073     -4.336204      8.282954
  C      -2.022458     -4.062968      7.747634
  C      -2.319849     -4.466044      6.425368
  N      -3.517856     -4.256686      5.783969
  C      -4.650849     -3.945830      6.451148
  C      -5.048043     -4.547875      7.694482
  O      -4.535012     -5.434026      8.337252
  Cl     -6.662194     -3.847473      8.227057
  H      -2.068956     -3.070793     -0.744794
  H      -1.041017     -0.857530     -1.017270
  H      -0.800921      0.684828      0.925672
  H      -1.491382     -0.046974      3.186322
  H      -2.681529     -2.100554      5.766355
  H      -6.456447     -7.737792      5.546871
  H      -8.774229     -7.040026      6.013643
  H      -9.596643     -4.799198      5.280805
  H      -8.088344     -3.236994      4.103588
  H      -6.410122     -1.998159      4.077081
  H       0.738400     -5.846835      5.620028
  H       1.178023     -5.216430      7.963280
  H      -0.548885     -4.011017      9.297266
  H      -2.765468     -3.517451      8.326660
  H      -5.387110     -3.327746      5.949561
  N      -6.818300     -6.403118      1.890027
  N      -8.233215     -6.297761      2.020772
  H      -8.733311     -7.208409      2.024804
  H      -8.459767     -5.841585      2.938627
  H      -8.682339     -5.705085      1.295070
76
Coordinates from ORCA-job orca E -7354.127074060435
  N      -2.939619     -4.053702      1.698524
  C      -3.310053     -4.912429      0.576314
  C      -3.638310     -6.294874      1.118351
  N      -2.892313     -6.486544      2.391444
  C      -3.324471     -7.757267      3.065805
  C      -4.021438     -7.427038      4.382331
  N      -4.650037     -6.133703      4.187041
  Mo     -3.423317     -4.624362      3.606308
  N      -1.644619     -5.310483      4.330527
  C      -0.750271     -6.150661      3.529324
  C      -1.416483     -6.442301      2.195831
  H      -0.542550     -7.077821      4.089796
  H       0.216535     -5.650771      3.357524
  H      -1.066786     -7.395400      1.769961
  H      -1.187128     -5.648266      1.480437
  H      -4.752833     -8.208339      4.627337
  H      -3.298908     -7.367112      5.211286
  H      -4.017573     -8.274869      2.391257
  H      -2.452668     -8.403948      3.224302
  H      -2.483880     -4.959800     -0.148549
  H      -4.185038     -4.484526      0.060509
  H      -3.366490     -7.085851      0.400169
  H      -4.704443     -6.378524      1.363405
  C      -2.283699     -2.893375      1.424113
  C      -1.879535     -2.457606      0.138284
  C      -1.310967     -1.206502     -0.012798
  C      -1.165333     -0.333808      1.087319
  C      -1.539525     -0.742964      2.351449
  C      -2.037680     -2.048907      2.545915
  N      -2.463857     -2.546730      3.758497
  C      -2.050020     -2.015402      4.901069
  C      -0.772325     -1.391410      5.220415
  O      -0.574798     -0.645563      6.143463
  Cl      0.646618     -2.032695      4.258879
  C      -5.932897     -5.878135      4.532271
  C      -6.816861     -6.753904      5.210564
  C      -8.115067     -6.355456      5.477097
  C      -8.577306     -5.085000      5.068301
  C      -7.721030     -4.199333      4.421599
  C      -6.389275     -4.575805      4.160805
  N      -5.440704     -3.787781      3.510561
  C      -5.723066     -2.472137      3.377806
  C      -5.269247     -1.679011      2.276164
  O      -4.872239     -2.027751      1.187334
  Cl     -5.436300      0.101311      2.656031
  C      -1.292877     -5.068538      5.620878
  C      -0.033753     -5.361322      6.199722
  C       0.215664     -4.993950      7.507250
  C      -0.766500     -4.318630      8.269601
  C      -2.011981     -4.053342      7.739170
  C      -2.313685     -4.464274      6.420595
  N      -3.516215     -4.266129      5.782701
  C      -4.648215     -3.960872      6.456012
  C      -5.038066     -4.568612      7.698711
  O      -4.517196     -5.451428      8.339820
  Cl     -6.650215     -3.871209      8.243038
  H      -2.054340     -3.078502     -0.737613
  H      -1.019762     -0.868858     -1.008247
  H      -0.785386      0.676129      0.933940
  H      -1.487759     -0.051471      3.191897
  H      -2.700542     -2.100849      5.768873
  H      -6.471266     -7.731623      5.542233
  H      -8.786134     -7.027543      6.012732
  H      -9.605188     -4.786048      5.276065
  H      -8.092625     -3.227059      4.099100
  H      -6.412607     -1.993345      4.076170
  H       0.747528     -5.831539      5.604916
  H       1.195090     -5.190602      7.944446
  H      -0.531268     -3.988097      9.281475
  H      -2.754247     -3.508991      8.319995
  H      -5.390224     -3.346737      5.958568
  N      -6.826811     -6.408512      1.878121
  N      -8.242154     -6.319136      2.021640
  H      -8.729438     -7.235850      2.064993
  H      -8.460719     -5.830875      2.925769
  H      -8.703894     -5.760205      1.277841
76
Coordinates from ORCA-job orca E -7354.127136377240
  N      -2.940330     -4.057694      1.700512
  C      -3.312294     -4.916127      0.579228
  C      -3.640482     -6.298415      1.122877
  N      -2.891510     -6.488870      2.393791
  C      -3.318604     -7.759637      3.070839
  C      -4.033014     -7.429892      4.378641
  N      -4.657923     -6.135367      4.179864
  Mo     -3.424773     -4.629824      3.606984
  N      -1.642622     -5.309653      4.326421
  C      -0.745475     -6.143937      3.522514
  C      -1.416167     -6.444264      2.192681
  H      -0.526735     -7.067915      4.083879
  H       0.215985     -5.635706      3.345079
  H      -1.068223     -7.400320      1.772130
  H      -1.188835     -5.655723      1.470641
  H      -4.769202     -8.210373      4.611825
  H      -3.319929     -7.373673      5.216172
  H      -3.995893     -8.290421      2.390384
  H      -2.441863     -8.395211      3.245989
  H      -2.487311     -4.964733     -0.147004
  H      -4.187121     -4.488653      0.062876
  H      -3.368666     -7.089893      0.405283
  H      -4.706988     -6.378823      1.366917
  C      -2.281652     -2.898911      1.426765
  C      -1.873355     -2.465088      0.141613
  C      -1.304742     -1.214107     -0.009634
  C      -1.163517     -0.339274      1.089661
  C      -1.541128     -0.746839      2.353073
  C      -2.038329     -2.053235      2.548409
  N      -2.467718     -2.549463      3.760181
  C      -2.060748     -2.016763      4.904525
  C      -0.786348     -1.389782      5.231807
  O      -0.597449     -0.643452      6.156402
  Cl      0.640578     -2.020775      4.276101
  C      -5.939679     -5.876539      4.527986
  C      -6.821818     -6.749040      5.212844
  C      -8.119136     -6.348948      5.480619
  C      -8.582073     -5.080546      5.066364
  C      -7.726238     -4.197239      4.415662
  C      -6.394353     -4.574602      4.155407
  N      -5.443121     -3.786901      3.508595
  C      -5.723391     -2.471119      3.377454
  C      -5.265325     -1.676485      2.278065
  O      -4.869321     -2.024532      1.188786
  Cl     -5.425902      0.103243      2.662604
  C      -1.288387     -5.066299      5.616261
  C      -0.026371     -5.352267      6.191723
  C       0.224580     -4.982749      7.498567
  C      -0.758638     -4.311520      8.262823
  C      -2.006806     -4.052392      7.735166
  C      -2.309777     -4.466376      6.418071
  N      -3.515393     -4.275769      5.782305
  C      -4.647376     -3.975994      6.458767
  C      -5.031723     -4.586560      7.702066
  O      -4.505833     -5.467355      8.341734
  Cl     -6.645128     -3.895377      8.250794
  H      -2.044627     -3.087165     -0.734182
  H      -1.010287     -0.878074     -1.004668
  H      -0.784215      0.670842      0.935880
  H      -1.492646     -0.053970      3.192544
  H      -2.716134     -2.103587      5.768685
  H      -6.475131     -7.724671      5.549513
  H      -8.788731     -7.018070      6.021779
  H      -9.610020     -4.781174      5.273065
  H      -8.096972     -3.225221      4.091073
  H      -6.415645     -1.992522      4.073383
  H       0.755989     -5.818684      5.595346
  H       1.206024     -5.174421      7.933447
  H      -0.522529     -3.979269      9.273922
  H      -2.750046     -3.511225      8.317649
  H      -5.394633     -3.366765      5.963114
  N      -6.828865     -6.397220      1.880398
  N      -8.243173     -6.304408      2.019434
  H      -8.721548     -7.223118      2.100649
  H      -8.462688     -5.779239      2.902108
  H      -8.703119     -5.778435      1.251558
76
Coordinates from ORCA-job orca E -7354.127199759132
  N      -2.939599     -4.059576      1.700612
  C      -3.312218     -4.917888      0.578814
  C      -3.642171     -6.299437      1.124902
  N      -2.892899     -6.490246      2.394577
  C      -3.320887     -7.760784      3.071058
  C      -4.043733     -7.431116      4.373416
  N      -4.664140     -6.134867      4.171988
  Mo     -3.426424     -4.633182      3.606732
  N      -1.641375     -5.308375      4.322821
  C      -0.743958     -6.142614      3.518488
  C      -1.417721     -6.448590      2.190931
  H      -0.520918     -7.063966      4.082339
  H       0.215412     -5.631812      3.337255
  H      -1.073393     -7.407530      1.774105
  H      -1.189885     -5.664437      1.464292
  H      -4.783337     -8.210537      4.599266
  H      -3.336619     -7.378003      5.216324
  H      -3.993334     -8.293080      2.386951
  H      -2.444535     -8.395097      3.252676
  H      -2.487174     -4.968650     -0.147276
  H      -4.186099     -4.491051      0.060496
  H      -3.372523     -7.093049      0.408720
  H      -4.710084     -6.374332      1.366282
  C      -2.276926     -2.902909      1.428399
  C      -1.862303     -2.471824      0.144343
  C      -1.291954     -1.221746     -0.006791
  C      -1.155309     -0.344422      1.091450
  C      -1.538373     -0.749513      2.353749
  C      -2.036471     -2.055616      2.549894
  N      -2.472347     -2.548593      3.760482
  C      -2.073877     -2.013624      4.906054
  C      -0.804710     -1.378981      5.240955
  O      -0.628215     -0.630010      6.165924
  Cl      0.632776     -2.005865      4.301041
  C      -5.945509     -5.872530      4.520406
  C      -6.828820     -6.744040      5.205084
  C      -8.125334     -6.341731      5.473574
  C      -8.585629     -5.072178      5.060834
  C      -7.727937     -4.189783      4.410181
  C      -6.396391     -4.568981      4.149948
  N      -5.442185     -3.781019      3.507059
  C      -5.719933     -2.464714      3.379821
  C      -5.255520     -1.665927      2.285221
  O      -4.861469     -2.011424      1.194565
  Cl     -5.407829      0.111751      2.678933
  C      -1.284005     -5.061557      5.611579
  C      -0.019618     -5.341269      6.184553
  C       0.232151     -4.969277      7.490728
  C      -0.752406     -4.301581      8.256357
  C      -2.002670     -4.048212      7.730585
  C      -2.305833     -4.464988      6.414586
  N      -3.514361     -4.282644      5.781272
  C      -4.645403     -3.990602      6.463918
  C      -5.020577     -4.609165      7.705836
  O      -4.486298     -5.488601      8.340478
  Cl     -6.636853     -3.930999      8.263520
  H      -2.029178     -3.094958     -0.731569
  H      -0.992707     -0.888238     -1.001243
  H      -0.775561      0.665469      0.937410
  H      -1.493661     -0.054862      3.191936
  H      -2.733023     -2.104529      5.766950
  H      -6.483652     -7.720003      5.542234
  H      -8.795510     -7.009938      6.015109
  H      -9.613172     -4.771131      5.267059
  H      -8.096294     -3.216678      4.086122
  H      -6.414478     -1.986885      4.074046
  H       0.763811     -5.805228      5.587658
  H       1.215116     -5.156543      7.924083
  H      -0.515642     -3.967712      9.266761
  H      -2.747904     -3.510000      8.313484
  H      -5.399494     -3.385693      5.973163
  N      -6.834030     -6.395120      1.871948
  N      -8.249964     -6.317185      2.029519
  H      -8.722274     -7.233589      2.156410
  H      -8.456666     -5.758385      2.895229
  H      -8.720555     -5.822572      1.248175
76
Coordinates from ORCA-job orca E -7354.127248901083
  N      -2.940021     -4.063008      1.700236
  C      -3.312562     -4.921655      0.578801
  C      -3.642891     -6.302231      1.127860
  N      -2.891442     -6.492920      2.396020
  C      -3.318187     -7.763686      3.073210
  C      -4.050478     -7.434371      4.370423
  N      -4.667809     -6.136914      4.166181
  Mo     -3.427014     -4.637675      3.606628
  N      -1.639727     -5.308491      4.320316
  C      -0.740216     -6.139454      3.514781
  C      -1.416620     -6.450551      2.189564
  H      -0.510867     -7.058640      4.079512
  H       0.215869     -5.623783      3.330183
  H      -1.072950     -7.410522      1.774637
  H      -1.191465     -5.668609      1.459793
  H      -4.792996     -8.213015      4.589198
  H      -3.350127     -7.383706      5.219232
  H      -3.984732     -8.299757      2.386184
  H      -2.440566     -8.394402      3.260776
  H      -2.487717     -4.973232     -0.147478
  H      -4.186622     -4.496210      0.059848
  H      -3.377621     -7.097181      0.411531
  H      -4.711264     -6.373163      1.368454
  C      -2.275808     -2.907226      1.428854
  C      -1.857369     -2.477558      0.145578
  C      -1.285648     -1.228051     -0.004886
  C      -1.151242     -0.349838      1.092994
  C      -1.537967     -0.753429      2.354628
  C      -2.037689     -2.058896      2.550528
  N      -2.477831     -2.550642      3.759912
  C      -2.085842     -2.013434      4.906435
  C      -0.822151     -1.369516      5.244862
  O      -0.654081     -0.622466      6.173033
  Cl      0.622062     -1.986801      4.310898
  C      -5.948436     -5.871983      4.516848
  C      -6.831795     -6.741601      5.203864
  C      -8.126551     -6.336039      5.476603
  C      -8.585045     -5.066092      5.064340
  C      -7.727867     -4.186261      4.409588
  C      -6.396727     -4.567061      4.148118
  N      -5.441772     -3.779709      3.505917
  C      -5.718521     -2.463241      3.379795
  C      -5.254911     -1.664817      2.284497
  O      -4.864173     -2.011830      1.192973
  Cl     -5.405950      0.112734      2.677020
  C      -1.281020     -5.059288      5.608550
  C      -0.014868     -5.333122      6.180072
  C       0.236469     -4.960150      7.486150
  C      -0.750225     -4.297235      8.253107
  C      -2.002105     -4.049256      7.728461
  C      -2.304255     -4.466767      6.412528
  N      -3.514939     -4.291042      5.780947
  C      -4.645801     -4.005448      6.466969
  C      -5.012834     -4.626225      7.710025
  O      -4.473040     -5.505121      8.340715
  Cl     -6.630599     -3.956715      8.274213
  H      -2.021308     -3.101282     -0.730477
  H      -0.982995     -0.895839     -0.998752
  H      -0.770341      0.659643      0.939099
  H      -1.494498     -0.058247      3.192471
  H      -2.746654     -2.108832      5.765530
  H      -6.487819     -7.718091      5.540639
  H      -8.796406     -7.002214      6.021036
  H      -9.611298     -4.762590      5.273591
  H      -8.094518     -3.212271      4.086106
  H      -6.412558     -1.984720      4.074051
  H       0.770362     -5.793682      5.582845
  H       1.220657     -5.143316      7.918492
  H      -0.513836     -3.963111      9.263516
  H      -2.749970     -3.514913      8.311758
  H      -5.404912     -3.404105      5.979340
  N      -6.831552     -6.383596      1.872006
  N      -8.247713     -6.303709      2.029144
  H      -8.716949     -7.214959      2.197772
  H      -8.455353     -5.707664      2.869167
  H      -8.718368     -5.843776      1.227428
76
Coordinates from ORCA-job orca E -7354.127281678871
  N      -2.938768     -4.066928      1.699205
  C      -3.310220     -4.926108      0.578008
  C      -3.642305     -6.305363      1.129179
  N      -2.889853     -6.496889      2.396771
  C      -3.317387     -7.767608      3.074028
  C      -4.055234     -7.437715      4.368192
  N      -4.669836     -6.139058      4.161603
  Mo     -3.426427     -4.641801      3.606380
  N      -1.638063     -5.310153      4.318958
  C      -0.737779     -6.140370      3.513492
  C      -1.415181     -6.454249      2.189577
  H      -0.505847     -7.058254      4.079250
  H       0.216912     -5.622874      3.326924
  H      -1.071271     -7.414417      1.775343
  H      -1.191869     -5.673004      1.458599
  H      -4.800170     -8.215156      4.582933
  H      -3.360010     -7.388627      5.221333
  H      -3.981832     -8.304525      2.385548
  H      -2.439474     -8.397212      3.263443
  H      -2.484800     -4.978286     -0.147535
  H      -4.184184     -4.501180      0.058497
  H      -3.382747     -7.101267      0.411816
  H      -4.710955     -6.372655      1.369635
  C      -2.274678     -2.911193      1.428566
  C      -1.854507     -2.482092      0.145615
  C      -1.284589     -1.231768     -0.004816
  C      -1.154444     -0.352091      1.092177
  C      -1.543019     -0.754910      2.353580
  C      -2.039404     -2.061448      2.550151
  N      -2.481622     -2.553407      3.758938
  C      -2.097533     -2.014108      4.907008
  C      -0.837968     -1.365461      5.253235
  O      -0.681760     -0.607938      6.174986
  Cl      0.615633     -1.981386      4.334328
  C      -5.950218     -5.871613      4.513178
  C      -6.835425     -6.739514      5.199702
  C      -8.128266     -6.329832      5.476879
  C      -8.582973     -5.057779      5.068523
  C      -7.725364     -4.180656      4.411055
  C      -6.395251     -4.564559      4.146982
  N      -5.439513     -3.778296      3.505107
  C      -5.714375     -2.461282      3.380194
  C      -5.252083     -1.663722      2.284032
  O      -4.862996     -2.012034      1.192091
  Cl     -5.402775      0.114032      2.674298
  C      -1.278000     -5.057392      5.606176
  C      -0.010395     -5.325886      6.176623
  C       0.240551     -4.951453      7.482421
  C      -0.748223     -4.292884      8.250343
  C      -2.001560     -4.050153      7.726675
  C      -2.302575     -4.468108      6.410625
  N      -3.515001     -4.298549      5.780627
  C      -4.646050     -4.019717      6.469204
  C      -5.004332     -4.640948      7.714232
  O      -4.457230     -5.517007      8.342574
  Cl     -6.624856     -3.982154      8.283496
  H      -2.015925     -3.106787     -0.730206
  H      -0.980706     -0.899885     -0.998433
  H      -0.775643      0.658111      0.937777
  H      -1.503464     -0.058296      3.190342
  H      -2.763156     -2.110500      5.762110
  H      -6.494386     -7.718220      5.533051
  H      -8.799043     -6.994404      6.022134
  H      -9.607319     -4.750596      5.281976
  H      -8.089249     -3.204620      4.090577
  H      -6.406225     -1.981798      4.075886
  H       0.776302     -5.783858      5.579266
  H       1.225836     -5.130730      7.913900
  H      -0.512283     -3.958322      9.260718
  H      -2.752074     -3.519471      8.310134
  H      -5.409989     -3.422296      5.984066
  N      -6.826370     -6.373125      1.872271
  N      -8.242487     -6.290735      2.029453
  H      -8.711552     -7.194278      2.237693
  H      -8.452386     -5.659478      2.842653
  H      -8.714371     -5.866280      1.209437
76
Coordinates from ORCA-job orca E -7354.127303520510
  N      -2.938834     -4.068807      1.699096
  C      -3.308301     -4.928644      0.577981
  C      -3.641843     -6.307009      1.129368
  N      -2.889870     -6.499482      2.397217
  C      -3.318994     -7.770013      3.074049
  C      -4.054816     -7.439401      4.369339
  N      -4.669216     -6.140553      4.162570
  Mo     -3.426030     -4.643136      3.607285
  N      -1.637879     -5.312032      4.320104
  C      -0.738757     -6.144374      3.515696
  C      -1.415132     -6.456940      2.191334
  H      -0.509419     -7.062653      4.081950
  H       0.217300     -5.629195      3.329634
  H      -1.070295     -7.416356      1.776117
  H      -1.191747     -5.674429      1.461750
  H      -4.799903     -8.216309      4.585563
  H      -3.359619     -7.389954      5.222437
  H      -3.986409     -8.304563      2.386610
  H      -2.441696     -8.401435      3.260013
  H      -2.481681     -4.980691     -0.146150
  H      -4.182030     -4.503667      0.057948
  H      -3.385907     -7.103055      0.410823
  H      -4.710240     -6.373351      1.370597
  C      -2.276249     -2.912300      1.428652
  C      -1.856649     -2.482596      0.145648
  C      -1.287087     -1.232026     -0.004505
  C      -1.156470     -0.352963      1.092687
  C      -1.544853     -0.756117      2.354202
  C      -2.041601     -2.062430      2.550211
  N      -2.483492     -2.555111      3.758893
  C      -2.100324     -2.014896      4.906742
  C      -0.843742     -1.359022      5.250521
  O      -0.689236     -0.603300      6.173945
  Cl      0.610963     -1.972384      4.332143
  C      -5.950420     -5.873222      4.512203
  C      -6.837802     -6.741746      5.194635
  C      -8.130968     -6.331784      5.470994
  C      -8.583500     -5.058016      5.066524
  C      -7.724748     -4.180631      4.411260
  C      -6.394607     -4.565307      4.147066
  N      -5.438329     -3.778498      3.506978
  C      -5.712413     -2.461012      3.382903
  C      -5.252090     -1.664143      2.285866
  O      -4.862585     -2.012739      1.194012
  Cl     -5.404462      0.113980      2.674016
  C      -1.276914     -5.057172      5.606449
  C      -0.008817     -5.324539      6.176247
  C       0.243315     -4.947696      7.481097
  C      -0.744887     -4.287956      8.248711
  C      -1.998852     -4.046858      7.725930
  C      -2.301155     -4.467371      6.410881
  N      -3.514531     -4.300402      5.782117
  C      -4.645664     -4.023917      6.471286
  C      -5.001821     -4.645187      7.716827
  O      -4.452165     -5.519792      8.345000
  Cl     -6.622415     -3.988440      8.288105
  H      -2.018468     -3.107295     -0.730081
  H      -0.983538     -0.899625     -0.998056
  H      -0.777361      0.657162      0.938530
  H      -1.504936     -0.059691      3.191100
  H      -2.764710     -2.113577      5.762583
  H      -6.498713     -7.722370      5.524452
  H      -8.803255     -6.997289      6.013224
  H      -9.607529     -4.749978      5.280308
  H      -8.087423     -3.203215      4.093733
  H      -6.402046     -1.981307      4.080551
  H       0.777415     -5.783266      5.578861
  H       1.229161     -5.125745      7.911796
  H      -0.507942     -3.951311      9.258160
  H      -2.749114     -3.515311      8.308869
  H      -5.410788     -3.427612      5.986702
  N      -6.822273     -6.367282      1.875052
  N      -8.237387     -6.280176      2.028909
  H      -8.709128     -7.179559      2.250865
  H      -8.451324     -5.634410      2.829556
  H      -8.707343     -5.871072      1.200096
76
Coordinates from ORCA-job orca E -7354.127319719270
  N      -2.937946     -4.069793      1.699015
  C      -3.305007     -4.930127      0.577357
  C      -3.641375     -6.307899      1.127596
  N      -2.891016     -6.501532      2.396248
  C      -3.322164     -7.771541      3.072592
  C      -4.054910     -7.439907      4.369370
  N      -4.669510     -6.141050      4.163103
  Mo     -3.425928     -4.643599      3.607656
  N      -1.638051     -5.313635      4.320385
  C      -0.741160     -6.149670      3.517475
  C      -1.416071     -6.460104      2.192213
  H      -0.516378     -7.068708      4.084423
  H       0.217357     -5.638619      3.332503
  H      -1.070831     -7.419190      1.776551
  H      -1.190928     -5.676790      1.463997
  H      -4.799779     -8.216383      4.587977
  H      -3.358211     -7.389788      5.221159
  H      -3.992062     -8.304282      2.386206
  H      -2.445656     -8.404750      3.256254
  H      -2.476248     -4.982676     -0.144302
  H      -4.177034     -4.504122      0.055096
  H      -3.386920     -7.103725      0.408265
  H      -4.709863     -6.373243      1.369299
  C      -2.275991     -2.912834      1.429238
  C      -1.856158     -2.482746      0.146353
  C      -1.287697     -1.231644     -0.003668
  C      -1.158553     -0.352428      1.093457
  C      -1.547326     -0.755853      2.354832
  C      -2.042622     -2.062673      2.550704
  N      -2.484740     -2.555641      3.759322
  C      -2.104166     -2.014239      4.907325
  C      -0.850209     -1.353151      5.251787
  O      -0.699929     -0.593512      6.172553
  Cl      0.607921     -1.965571      4.338166
  C      -5.951286     -5.873818      4.511221
  C      -6.840079     -6.742623      5.191110
  C      -8.133387     -6.332548      5.467219
  C      -8.584640     -5.057605      5.065335
  C      -7.724849     -4.179941      4.411640
  C      -6.394987     -4.565515      4.146795
  N      -5.437874     -3.778472      3.508220
  C      -5.711117     -2.460688      3.384542
  C      -5.250526     -1.663793      2.287948
  O      -4.859315     -2.011545      1.196450
  Cl     -5.403025      0.114561      2.676566
  C      -1.275908     -5.057872      5.606094
  C      -0.007507     -5.325620      6.175014
  C       0.246378     -4.946802      7.478971
  C      -0.740413     -4.284744      8.246318
  C      -1.994828     -4.043804      7.724572
  C      -2.299113     -4.466844      6.410745
  N      -3.513189     -4.301050      5.783039
  C      -4.644109     -4.025193      6.472714
  C      -4.999744     -4.646451      7.718494
  O      -4.448439     -5.519381      8.347594
  Cl     -6.620477     -3.990498      8.290063
  H      -2.017636     -3.107832     -0.729159
  H      -0.984125     -0.898857     -0.997084
  H      -0.780302      0.658032      0.939407
  H      -1.509035     -0.058891      3.191335
  H      -2.769712     -2.113402      5.762243
  H      -6.502127     -7.724387      5.518781
  H      -8.806479     -6.998768      6.007552
  H      -9.608494     -4.749020      5.279111
  H      -8.086685     -3.201394      4.096641
  H      -6.400241     -1.981339      4.082946
  H       0.777537     -5.785920      5.577298
  H       1.232581     -5.124833      7.908852
  H      -0.502121     -3.946233      9.254826
  H      -2.743953     -3.510663      8.307436
  H      -5.409752     -3.429678      5.988178
  N      -6.819833     -6.365190      1.874267
  N      -8.234033     -6.277644      2.029964
  H      -8.707352     -7.173630      2.263881
  H      -8.448077     -5.621002      2.821996
  H      -8.705155     -5.882253      1.195142
76
Coordinates from ORCA-job orca E -7354.127332553153
  N      -2.936753     -4.070662      1.698375
  C      -3.299888     -4.931710      0.575721
  C      -3.639778     -6.308706      1.124720
  N      -2.891932     -6.503338      2.394537
  C      -3.325943     -7.772639      3.070037
  C      -4.052149     -7.440187      4.369973
  N      -4.667827     -6.141623      4.165480
  Mo     -3.425373     -4.643519      3.607484
  N      -1.638219     -5.315435      4.321247
  C      -0.744095     -6.156632      3.520698
  C      -1.416592     -6.463270      2.193660
  H      -0.526553     -7.077030      4.088362
  H       0.218203     -5.651772      3.338256
  H      -1.070985     -7.421811      1.776976
  H      -1.188553     -5.678529      1.467836
  H      -4.795684     -8.216665      4.593139
  H      -3.351214     -7.388996      5.218177
  H      -4.000792     -8.301387      2.385488
  H      -2.451376     -8.409862      3.249395
  H      -2.467557     -4.985187     -0.141821
  H      -4.168950     -4.505095      0.048960
  H      -3.385988     -7.104688      0.405349
  H      -4.708539     -6.372611      1.367001
  C      -2.276608     -2.912487      1.429109
  C      -1.857287     -2.481632      0.146269
  C      -1.291474     -1.229347     -0.003861
  C      -1.164549     -0.349765      1.093235
  C      -1.552810     -0.754001      2.354533
  C      -2.045153     -2.061893      2.550410
  N      -2.486336     -2.555859      3.759202
  C      -2.106852     -2.013457      4.907068
  C      -0.854884     -1.347974      5.250860
  O      -0.707369     -0.583764      6.168160
  Cl      0.605574     -1.961093      4.340989
  C      -5.949949     -5.875238      4.512728
  C      -6.838764     -6.744687      5.191624
  C      -8.132332     -6.335526      5.467949
  C      -8.583852     -5.060187      5.067770
  C      -7.724200     -4.181893      4.414263
  C      -6.394465     -4.567296      4.148381
  N      -5.437557     -3.779947      3.509593
  C      -5.711455     -2.462366      3.384702
  C      -5.252003     -1.666572      2.287006
  O      -4.860582     -2.014651      1.195787
  Cl     -5.405935      0.112494      2.674110
  C      -1.275826     -5.060092      5.606959
  C      -0.007987     -5.330458      6.176064
  C       0.247079     -4.950692      7.479529
  C      -0.737954     -4.285152      8.246134
  C      -1.991985     -4.042242      7.724440
  C      -2.297745     -4.466752      6.411411
  N      -3.511748     -4.299877      5.784047
  C      -4.642257     -4.022637      6.473403
  C      -4.998879     -4.642156      7.720062
  O      -4.447776     -5.513765      8.351148
  Cl     -6.619601     -3.984981      8.289454
  H      -2.017629     -3.107452     -0.728932
  H      -0.988448     -0.895918     -0.997225
  H      -0.788464      0.661508      0.939259
  H      -1.516471     -0.056479      3.190638
  H      -2.771902     -2.114368      5.762202
  H      -6.500580     -7.726628      5.518608
  H      -8.805022     -7.002681      6.007615
  H      -9.607669     -4.751808      5.281881
  H      -8.086408     -3.202788      4.101373
  H      -6.400672     -1.983128      4.083109
  H       0.775611     -5.793423      5.578542
  H       1.232933     -5.130581      7.909440
  H      -0.498697     -3.945554      9.254047
  H      -2.739614     -3.506751      8.307030
  H      -5.407721     -3.427853      5.987801
  N      -6.816070     -6.359813      1.872738
  N      -8.229350     -6.268086      2.027540
  H      -8.706216     -7.160789      2.268269
  H      -8.443176     -5.602810      2.812814
  H      -8.696964     -5.881877      1.186448
76
Coordinates from ORCA-job orca E -7354.127340515363
  N      -2.935625     -4.070375      1.698424
  C      -3.298743     -4.930635      0.574763
  C      -3.640636     -6.307796      1.122325
  N      -2.893959     -6.503823      2.392641
  C      -3.329878     -7.772544      3.067702
  C      -4.052659     -7.439094      4.369134
  N      -4.669127     -6.140932      4.164984
  Mo     -3.426113     -4.643032      3.607245
  N      -1.638563     -5.315754      4.319817
  C      -0.746888     -6.161160      3.520884
  C      -1.418488     -6.465243      2.193039
  H      -0.534773     -7.082349      4.089393
  H       0.218273     -5.661371      3.339700
  H      -1.073349     -7.423701      1.775704
  H      -1.188495     -5.679928      1.468436
  H      -4.794969     -8.215782      4.595599
  H      -3.348685     -7.386391      5.214722
  H      -4.006813     -8.299496      2.383845
  H      -2.456727     -8.412056      3.246058
  H      -2.465327     -4.985259     -0.141476
  H      -4.166084     -4.502534      0.046445
  H      -3.385860     -7.103371      0.402872
  H      -4.709190     -6.371883      1.365354
  C      -2.274060     -2.912745      1.430321
  C      -1.852466     -2.482333      0.147997
  C      -1.285998     -1.230380     -0.001759
  C      -1.160750     -0.350310      1.095265
  C      -1.551202     -0.754059      2.355965
  C      -2.043854     -2.061906      2.551746
  N      -2.487535     -2.554807      3.760169
  C      -2.111081     -2.011264      4.908236
  C      -0.861063     -1.342688      5.253966
  O      -0.717610     -0.574682      6.168595
  Cl      0.603026     -1.957282      4.350896
  C      -5.951487     -5.875115      4.511042
  C      -6.840643     -6.744928      5.189116
  C      -8.134288     -6.335821      5.465138
  C      -8.585660     -5.060256      5.065364
  C      -7.725577     -4.181750      4.412309
  C      -6.395952     -4.567295      4.146766
  N      -5.438084     -3.779963      3.509342
  C      -5.711592     -2.462148      3.385245
  C      -5.250132     -1.665319      2.289168
  O      -4.857354     -2.011459      1.197972
  Cl     -5.403981      0.113678      2.679291
  C      -1.274751     -5.059320      5.605125
  C      -0.006510     -5.329485      6.173337
  C       0.249933     -4.948138      7.476125
  C      -0.734204     -4.281453      8.242853
  C      -1.988828     -4.039141      7.722191
  C      -2.295902     -4.465277      6.410049
  N      -3.510876     -4.300298      5.783962
  C      -4.641018     -4.024073      6.474412
  C      -4.995652     -4.643433      7.721783
  O      -4.442295     -5.513249      8.353420
  Cl     -6.617563     -3.989473      8.291177
  H      -2.011659     -3.108604     -0.727093
  H      -0.981257     -0.897376     -0.994740
  H      -0.784456      0.660915      0.941542
  H      -1.516464     -0.055746      3.191483
  H      -2.777836     -2.112536      5.761977
  H      -6.502568     -7.726839      5.516294
  H      -8.807033     -7.003260      6.004385
  H      -9.609539     -4.751831      5.279034
  H      -8.087859     -3.202510      4.099874
  H      -6.401982     -1.983733      4.083041
  H       0.776208     -5.793630      5.575578
  H       1.236137     -5.127808      7.905323
  H      -0.494026     -3.940638      9.250134
  H      -2.735842     -3.503311      8.305272
  H      -5.408355     -3.431754      5.988786
  N      -6.817886     -6.361669      1.872670
  N      -8.230298     -6.272642      2.032551
  H      -8.705102     -7.162991      2.286315
  H      -8.443819     -5.598596      2.810590
  H      -8.701268     -5.899338      1.187578
76
Coordinates from ORCA-job orca E -7354.127347943967
  N      -2.934697     -4.070442      1.697820
  C      -3.295999     -4.930316      0.573234
  C      -3.639869     -6.307204      1.120042
  N      -2.894480     -6.504186      2.390905
  C      -3.332880     -7.772432      3.064986
  C      -4.049501     -7.438591      4.369474
  N      -4.667413     -6.140956      4.166769
  Mo     -3.425755     -4.642585      3.606462
  N      -1.638400     -5.316680      4.319495
  C      -0.748649     -6.166134      3.522546
  C      -1.418758     -6.466583      2.193369
  H      -0.542841     -7.088543      4.091460
  H       0.219624     -5.671577      3.343849
  H      -1.073969     -7.424486      1.774372
  H      -1.186993     -5.679777      1.470937
  H      -4.789758     -8.215872      4.600483
  H      -3.340750     -7.384450      5.210944
  H      -4.014635     -8.294870      2.382468
  H      -2.462268     -8.416556      3.239523
  H      -2.460344     -4.985955     -0.140417
  H      -4.160952     -4.501881      0.041469
  H      -3.384144     -7.102997      0.401213
  H      -4.708408     -6.370925      1.363565
  C      -2.273838     -2.912134      1.430081
  C      -1.851707     -2.481664      0.147970
  C      -1.286687     -1.229096     -0.001924
  C      -1.163341     -0.348470      1.094926
  C      -1.554113     -0.752440      2.355435
  C      -2.045238     -2.060829      2.551387
  N      -2.489011     -2.553941      3.759900
  C      -2.113648     -2.009073      4.907659
  C      -0.865207     -1.337258      5.252889
  O      -0.724002     -0.566028      6.165104
  Cl      0.600730     -1.952083      4.352968
  C      -5.949728     -5.876140      4.513039
  C      -6.837854     -6.746388      5.192103
  C      -8.131481     -6.337750      5.468975
  C      -8.583882     -5.062625      5.069317
  C      -7.725000     -4.184038      4.414531
  C      -6.395320     -4.568831      4.148373
  N      -5.438233     -3.781658      3.509370
  C      -5.713082     -2.464291      3.383679
  C      -5.252027     -1.668104      2.286845
  O      -4.859823     -2.014619      1.195694
  Cl     -5.407075      0.111273      2.676316
  C      -1.275071     -5.061269      5.605292
  C      -0.007854     -5.334178      6.174455
  C       0.248435     -4.953434      7.477459
  C      -0.734793     -4.284804      8.243653
  C      -1.988679     -4.040215      7.722243
  C      -2.295663     -4.465816      6.409937
  N      -3.510304     -4.299290      5.783650
  C      -4.640012     -4.021481      6.473830
  C      -4.994710     -4.638435      7.722539
  O      -4.442101     -5.507783      8.355412
  Cl     -6.616455     -3.983111      8.290408
  H      -2.009101     -3.108601     -0.726970
  H      -0.981554     -0.896153     -0.994804
  H      -0.788319      0.663229      0.941237
  H      -1.520546     -0.053715      3.190661
  H      -2.779768     -2.112081      5.761678
  H      -6.498910     -7.727724      5.520069
  H      -8.803181     -7.005400      6.009277
  H      -9.607647     -4.754498      5.283967
  H      -8.088186     -3.205080      4.102239
  H      -6.404664     -1.985876      4.080238
  H       0.774286     -5.800101      5.577323
  H       1.233970     -5.135193      7.907334
  H      -0.494593     -3.944375      9.251055
  H      -2.735002     -3.503131      8.305090
  H      -5.407721     -3.430455      5.987133
  N      -6.815522     -6.358657      1.871694
  N      -8.227761     -6.266476      2.031526
  H      -8.703235     -7.154849      2.291218
  H      -8.441122     -5.586156      2.804154
  H      -8.695396     -5.899279      1.182189
76
Coordinates from ORCA-job orca E -7354.127354720347
  N      -2.934360     -4.069757      1.698263
  C      -3.297114     -4.928251      0.573203
  C      -3.641240     -6.305604      1.119100
  N      -2.895714     -6.503809      2.389924
  C      -3.335415     -7.771911      3.063289
  C      -4.049972     -7.437664      4.368847
  N      -4.668488     -6.140331      4.166110
  Mo     -3.426402     -4.642296      3.606111
  N      -1.638425     -5.316656      4.317875
  C      -0.749784     -6.168184      3.521737
  C      -1.420015     -6.467055      2.192405
  H      -0.546825     -7.091014      4.091021
  H       0.219877     -5.676196      3.343728
  H      -1.076106     -7.424811      1.772312
  H      -1.187974     -5.679662      1.470700
  H      -4.789120     -8.215347      4.601958
  H      -3.339108     -7.382389      5.208446
  H      -4.018905     -8.292306      2.380927
  H      -2.466202     -8.418221      3.236839
  H      -2.461876     -4.984433     -0.140923
  H      -4.161633     -4.498890      0.041603
  H      -3.383913     -7.100978      0.400374
  H      -4.709507     -6.370589      1.362867
  C      -2.271897     -2.912079      1.431253
  C      -1.847755     -2.482203      0.149611
  C      -1.281403     -1.230213      0.000072
  C      -1.158667     -0.349398      1.096842
  C      -1.551254     -0.752845      2.356921
  C      -2.043674     -2.060796      2.552750
  N      -2.489448     -2.553003      3.760963
  C      -2.115690     -2.007996      4.909001
  C      -0.868049     -1.335346      5.255858
  O      -0.728951     -0.563393      6.167771
  Cl      0.599579     -1.950442      4.359412
  C      -5.950887     -5.875887      4.511926
  C      -6.839004     -6.746261      5.190959
  C      -8.132539     -6.337136      5.467850
  C      -8.584891     -5.062130      5.068020
  C      -7.726149     -4.183743      4.412865
  C      -6.396385     -4.568465      4.147226
  N      -5.438940     -3.781537      3.508515
  C      -5.713666     -2.464153      3.383006
  C      -5.250750     -1.666991      2.287513
  O      -4.857996     -2.012386      1.196286
  Cl     -5.404976      0.112015      2.679452
  C      -1.274389     -5.060056      5.603401
  C      -0.007082     -5.332422      6.172385
  C       0.249484     -4.950725      7.475100
  C      -0.733564     -4.281870      8.241242
  C      -1.987751     -4.037949      7.720087
  C      -2.294841     -4.464333      6.408113
  N      -3.510232     -4.299830      5.782544
  C      -4.639670     -4.022884      6.473635
  C      -4.991839     -4.638984      7.723385
  O      -4.437486     -5.507167      8.356319
  Cl     -6.614316     -3.985963      8.292195
  H      -2.004208     -3.109120     -0.725504
  H      -0.974687     -0.897886     -0.992527
  H      -0.782778      0.662017      0.943407
  H      -1.518092     -0.053901      3.191972
  H      -2.782602     -2.111857      5.762331
  H      -6.500209     -7.727560      5.519130
  H      -8.804281     -7.004606      6.008363
  H      -9.608605     -4.753915      5.282797
  H      -8.089307     -3.204973      4.099952
  H      -6.406506     -1.985972      4.078428
  H       0.775041     -5.798789      5.575556
  H       1.235162     -5.132096      7.904826
  H      -0.493150     -3.940896      9.248407
  H      -2.734125     -3.500926      8.302969
  H      -5.409252     -3.434191      5.986996
  N      -6.817412     -6.362573      1.871603
  N      -8.229692     -6.272925      2.035382
  H      -8.701186     -7.160590      2.304215
  H      -8.443405     -5.587302      2.802965
  H      -8.699992     -5.913594      1.184324
76
Coordinates from ORCA-job orca E -7354.127361748451
  N      -2.934279     -4.069093      1.698699
  C      -3.298221     -4.926485      0.573518
  C      -3.642278     -6.304066      1.118804
  N      -2.896273     -6.503366      2.389468
  C      -3.337186     -7.771525      3.061982
  C      -4.049500     -7.437086      4.368838
  N      -4.668568     -6.139955      4.166146
  Mo     -3.426470     -4.642199      3.605730
  N      -1.638078     -5.316949      4.316648
  C      -0.750132     -6.169697      3.520947
  C      -1.420643     -6.467209      2.191599
  H      -0.549067     -7.092928      4.090276
  H       0.220363     -5.679218      3.343536
  H      -1.077598     -7.424662      1.770128
  H      -1.188949     -5.679008      1.470651
  H      -4.787708     -8.215089      4.603776
  H      -3.336922     -7.380944      5.206901
  H      -4.023121     -8.289306      2.380075
  H      -2.469304     -8.420196      3.233403
  H      -2.463647     -4.982820     -0.141393
  H      -4.162800     -4.496598      0.042462
  H      -3.384024     -7.099172      0.400078
  H      -4.710303     -6.370289      1.362676
  C      -2.270687     -2.911835      1.431928
  C      -1.845386     -2.482499      0.150567
  C      -1.278079     -1.230862      0.001147
  C      -1.155541     -0.349941      1.097735
  C      -1.549211     -0.752987      2.357648
  C      -2.042574     -2.060548      2.553441
  N      -2.489665     -2.552145      3.761454
  C      -2.117700     -2.006389      4.909594
  C      -0.871135     -1.332272      5.257781
  O      -0.734544     -0.559629      6.169536
  Cl      0.598297     -1.946496      4.364527
  C      -5.951083     -5.875801      4.511782
  C      -6.839041     -6.746220      5.190927
  C      -8.132476     -6.336671      5.468128
  C      -8.584863     -5.061823      5.068340
  C      -7.726588     -4.183714      4.412476
  C      -6.396709     -4.568308      4.146829
  N      -5.439435     -3.781465      3.507730
  C      -5.714386     -2.464326      3.381624
  C      -5.250254     -1.666652      2.286839
  O      -4.856967     -2.011898      1.195758
  Cl     -5.404131      0.111952      2.679517
  C      -1.274058     -5.060165      5.602147
  C      -0.007083     -5.333045      6.171429
  C       0.249333     -4.951425      7.474224
  C      -0.733467     -4.282156      8.240218
  C      -1.987515     -4.037852      7.718808
  C      -2.294444     -4.464226      6.406803
  N      -3.510083     -4.300126      5.781305
  C      -4.639310     -4.023081      6.472766
  C      -4.990454     -4.638309      7.723129
  O      -4.435832     -5.506193      8.356184
  Cl     -6.612795     -3.985030      8.292713
  H      -2.001270     -3.109229     -0.724782
  H      -0.970419     -0.899082     -0.991344
  H      -0.778936      0.661229      0.944419
  H      -1.516066     -0.054068      3.192724
  H      -2.785646     -2.110114      5.762096
  H      -6.500367     -7.727640      5.518816
  H      -8.804189     -7.003951      6.008943
  H      -9.608455     -4.753579      5.283690
  H      -8.089605     -3.205053      4.099089
  H      -6.408296     -1.985940      4.075819
  H       0.775187     -5.799760      5.575043
  H       1.234859     -5.133220      7.904141
  H      -0.493010     -3.941270      9.247400
  H      -2.733811     -3.500370      8.301383
  H      -5.409657     -3.435397      5.986082
  N      -6.817262     -6.365755      1.871415
  N      -8.229961     -6.276970      2.038302
  H      -8.697751     -7.164094      2.314614
  H      -8.443527     -5.586496      2.801216
  H      -8.701830     -5.923812      1.185742
76
Coordinates from ORCA-job orca E -7354.127369377174
  N      -2.934292     -4.068250      1.699366
  C      -3.299341     -4.924711      0.574125
  C      -3.643323     -6.302519      1.118511
  N      -2.897031     -6.503056      2.389186
  C      -3.339106     -7.771400      3.060756
  C      -4.049519     -7.436847      4.368727
  N      -4.668880     -6.139765      4.166065
  Mo     -3.426603     -4.642334      3.605442
  N      -1.638012     -5.317460      4.315738
  C      -0.750666     -6.171045      3.520271
  C      -1.421446     -6.467628      2.190951
  H      -0.550721     -7.094522      4.089607
  H       0.220285     -5.681404      3.343150
  H      -1.079165     -7.424838      1.768371
  H      -1.190079     -5.678780      1.470576
  H      -4.787219     -8.214939      4.604938
  H      -3.335984     -7.380174      5.205911
  H      -4.027416     -8.286774      2.379427
  H      -2.472154     -8.421930      3.229731
  H      -2.465747     -4.980772     -0.141933
  H      -4.164440     -4.494185      0.044341
  H      -3.384639     -7.097162      0.399365
  H      -4.711236     -6.370207      1.362194
  C      -2.269706     -2.911351      1.432906
  C      -1.843666     -2.482232      0.151820
  C      -1.275292     -1.230932      0.002779
  C      -1.152488     -0.350306      1.099397
  C      -1.546987     -0.753218      2.359169
  C      -2.041472     -2.060358      2.554597
  N      -2.489488     -2.551868      3.762340
  C      -2.118249     -2.006783      4.910948
  C      -0.872010     -1.332563      5.260540
  O      -0.736854     -0.560742      6.173283
  Cl      0.598113     -1.945495      4.368519
  C      -5.951631     -5.875725      4.511178
  C      -6.839695     -6.746129      5.190029
  C      -8.133052     -6.336239      5.467518
  C      -8.585284     -5.061353      5.068024
  C      -7.727249     -4.183515      4.411785
  C      -6.397278     -4.568128      4.146003
  N      -5.440180     -3.781135      3.506800
  C      -5.715159     -2.464260      3.380320
  C      -5.249814     -1.665844      2.286434
  O      -4.855633     -2.010905      1.195554
  Cl     -5.403060      0.112179      2.679788
  C      -1.273821     -5.059776      5.600947
  C      -0.006965     -5.332611      6.170375
  C       0.249624     -4.950106      7.472914
  C      -0.732826     -4.279949      8.238496
  C      -1.986864     -4.035743      7.716965
  C      -2.293986     -4.463128      6.405331
  N      -3.510011     -4.300198      5.780048
  C      -4.639067     -4.023067      6.471825
  C      -4.989308     -4.637322      7.722815
  O      -4.434227     -5.504523      8.356351
  Cl     -6.611726     -3.983896      8.292864
  H      -1.999529     -3.108387     -0.723937
  H      -0.966984     -0.899417     -0.989598
  H      -0.774965      0.660571      0.946403
  H      -1.513698     -0.054585      3.194454
  H      -2.786800     -2.110865      5.762994
  H      -6.501268     -7.727866      5.517202
  H      -8.804916     -7.003390      6.008331
  H      -9.608779     -4.753085      5.283852
  H      -8.089869     -3.204780      4.098205
  H      -6.409861     -1.985700      4.073633
  H       0.775367     -5.799900      5.574511
  H       1.235120     -5.131946      7.902885
  H      -0.492108     -3.938433      9.245396
  H      -2.733063     -3.497509      8.298982
  H      -5.409927     -3.436081      5.985109
  N      -6.817184     -6.370270      1.870185
  N      -8.230256     -6.282540      2.040987
  H      -8.693911     -7.169145      2.325141
  H      -8.443035     -5.587088      2.799264
  H      -8.704877     -5.936234      1.187307
76
Coordinates from ORCA-job orca E -7354.127378577787
  N      -2.934041     -4.066946      1.699899
  C      -3.300086     -4.922778      0.574626
  C      -3.643992     -6.300701      1.118010
  N      -2.897744     -6.502436      2.388812
  C      -3.341066     -7.771027      3.059432
  C      -4.048547     -7.436431      4.368990
  N      -4.668288     -6.139359      4.166727
  Mo     -3.426275     -4.642143      3.605093
  N      -1.637900     -5.318052      4.315257
  C      -0.751335     -6.172433      3.519880
  C      -1.422160     -6.467857      2.190402
  H      -0.552543     -7.096283      4.089035
  H       0.220107     -5.683616      3.343160
  H      -1.080465     -7.424760      1.766750
  H      -1.190815     -5.678256      1.470792
  H      -4.785782     -8.214484      4.606802
  H      -3.333940     -7.379324      5.205201
  H      -4.032701     -8.283489      2.379310
  H      -2.474926     -8.423561      3.224665
  H      -2.467617     -4.978244     -0.142730
  H      -4.166052     -4.491567      0.046643
  H      -3.385587     -7.094846      0.398134
  H      -4.711835     -6.370061      1.361531
  C      -2.268658     -2.910401      1.433470
  C      -1.842509     -2.481418      0.152497
  C      -1.273286     -1.230341      0.003722
  C      -1.149924     -0.350072      1.100381
  C      -1.544835     -0.752894      2.360149
  C      -2.040151     -2.059695      2.555227
  N      -2.488971     -2.551157      3.762688
  C      -2.118710     -2.006063      4.911546
  C      -0.872859     -1.331465      5.262349
  O      -0.739504     -0.559602      6.175414
  Cl      0.598206     -1.943539      4.372299
  C      -5.951369     -5.875489      4.511059
  C      -6.839459     -6.745928      5.189591
  C      -8.132897     -6.336251      5.467243
  C      -8.585266     -5.061380      5.067963
  C      -7.727524     -4.183683      4.411399
  C      -6.397404     -4.568096      4.145330
  N      -5.440867     -3.780695      3.505710
  C      -5.716123     -2.464250      3.378550
  C      -5.249688     -1.665305      2.285355
  O      -4.854137     -2.010640      1.194944
  Cl     -5.403050      0.112144      2.678194
  C      -1.273952     -5.060507      5.600413
  C      -0.007478     -5.334461      6.170160
  C       0.249255     -4.951992      7.472696
  C      -0.732629     -4.280652      8.237944
  C      -1.986329     -4.035461      7.716113
  C      -2.293756     -4.463036      6.404577
  N      -3.509670     -4.299409      5.779043
  C      -4.638682     -4.021356      6.470588
  C      -4.989900     -4.635258      7.721419
  O      -4.435653     -5.502495      8.355587
  Cl     -6.612016     -3.980015      8.291038
  H      -1.998882     -3.106905     -0.723638
  H      -0.964825     -0.898960     -0.988651
  H      -0.771555      0.660533      0.947645
  H      -1.511292     -0.054579      3.195684
  H      -2.788521     -2.108736      5.762733
  H      -6.500960     -7.727865      5.516115
  H      -8.804774     -7.003448      6.007987
  H      -9.608788     -4.753391      5.284057
  H      -8.089940     -3.204920      4.097689
  H      -6.411474     -1.985432      4.071101
  H       0.774705     -5.802482      5.574670
  H       1.234506     -5.134764      7.902832
  H      -0.491636     -3.939069      9.244751
  H      -2.732174     -3.496153      8.297568
  H      -5.408836     -3.433645      5.983669
  N      -6.816744     -6.375748      1.868669
  N      -8.229890     -6.288299      2.044764
  H      -8.689344     -7.174145      2.337348
  H      -8.440532     -5.587490      2.798459
  H      -8.708249     -5.949563      1.190254
76
Coordinates from ORCA-job orca E -7354.127391402382
  N      -2.933440     -4.065337      1.700139
  C      -3.299882     -4.920858      0.574616
  C      -3.643813     -6.298891      1.116841
  N      -2.898423     -6.501648      2.388073
  C      -3.342887     -7.770604      3.057724
  C      -4.047079     -7.436334      4.368991
  N      -4.667116     -6.139148      4.167752
  Mo     -3.425846     -4.641870      3.604550
  N      -1.638379     -5.318726      4.315611
  C      -0.752352     -6.173535      3.520252
  C      -1.422689     -6.467881      2.190259
  H      -0.554345     -7.097774      4.089056
  H       0.219445     -5.685172      3.344073
  H      -1.081111     -7.424550      1.766078
  H      -1.190698     -5.677719      1.471417
  H      -4.784108     -8.214212      4.608089
  H      -3.331567     -7.379317      5.204407
  H      -4.037930     -8.280217      2.378988
  H      -2.477257     -8.424812      3.218789
  H      -2.468249     -4.975359     -0.143678
  H      -4.166753     -4.488962      0.048509
  H      -3.386241     -7.092484      0.395986
  H      -4.711776     -6.369830      1.359889
  C      -2.268107     -2.908736      1.433749
  C      -1.842623     -2.479242      0.152814
  C      -1.273168     -1.228107      0.004560
  C      -1.149081     -0.348563      1.101607
  C      -1.543728     -0.751840      2.361389
  C      -2.039408     -2.058561      2.555776
  N      -2.488093     -2.550822      3.762965
  C      -2.116490     -2.007314      4.912194
  C      -0.869516     -1.334662      5.263098
  O      -0.735160     -0.564367      6.177446
  Cl      0.600115     -1.946457      4.371177
  C      -5.950475     -5.875450      4.511333
  C      -6.838273     -6.745881      5.190101
  C      -8.131821     -6.336955      5.468195
  C      -8.584842     -5.062294      5.068732
  C      -7.727641     -4.184724      4.411385
  C      -6.397328     -4.568615      4.144843
  N      -5.441872     -3.780639      3.504217
  C      -5.717756     -2.464737      3.376284
  C      -5.250759     -1.665550      2.283358
  O      -4.853902     -2.011544      1.193500
  Cl     -5.404543      0.111445      2.674826
  C      -1.274960     -5.061373      5.600823
  C      -0.008951     -5.336634      6.171119
  C       0.247872     -4.953958      7.473571
  C      -0.733484     -4.281028      8.238184
  C      -1.986663     -4.034598      7.715833
  C      -2.294359     -4.462475      6.404417
  N      -3.509772     -4.297534      5.778346
  C      -4.638885     -4.017813      6.469001
  C      -4.992264     -4.631099      7.719530
  O      -4.439730     -5.498655      8.354721
  Cl     -6.614001     -3.973100      8.287504
  H      -1.999771     -3.103918     -0.723747
  H      -0.965147     -0.896296     -0.987806
  H      -0.770235      0.661940      0.949342
  H      -1.509831     -0.054066      3.197340
  H      -2.786135     -2.109317      5.763640
  H      -6.499119     -7.727633      5.516567
  H      -8.803278     -7.004237      6.009328
  H      -9.608464     -4.754819      5.285033
  H      -8.090333     -3.206102      4.097555
  H      -6.413483     -1.985769      4.068432
  H       0.772910     -5.805727      5.576056
  H       1.232766     -5.137816      7.904049
  H      -0.492332     -3.939238      9.244883
  H      -2.732170     -3.494117      8.296607
  H      -5.407358     -3.428432      5.981488
  N      -6.816382     -6.381698      1.865477
  N      -8.229081     -6.293228      2.047947
  H      -8.685185     -7.177815      2.349145
  H      -8.435841     -5.586879      2.797470
  H      -8.711956     -5.962284      1.192969
76
Coordinates from ORCA-job orca E -7354.127408758348
  N      -2.932426     -4.063426      1.699634
  C      -3.298848     -4.919124      0.573828
  C      -3.642306     -6.297265      1.115394
  N      -2.898279     -6.500169      2.387071
  C      -3.343183     -7.769568      3.056166
  C      -4.043918     -7.436096      4.369221
  N      -4.664404     -6.138828      4.169700
  Mo     -3.424884     -4.640934      3.603827
  N      -1.639188     -5.319001      4.317062
  C      -0.753019     -6.173268      3.521446
  C      -1.422290     -6.466585      2.190570
  H      -0.555132     -7.098013      4.089466
  H       0.218849     -5.684659      3.346122
  H      -1.080087     -7.423026      1.766423
  H      -1.189212     -5.676012      1.472491
  H      -4.780765     -8.213868      4.609341
  H      -3.327384     -7.379584      5.203780
  H      -4.041208     -8.276921      2.378858
  H      -2.477671     -8.424870      3.213262
  H      -2.467634     -4.972486     -0.144926
  H      -4.166642     -4.486946      0.049405
  H      -3.385882     -7.090503      0.393687
  H      -4.710440     -6.369557      1.357989
  C      -2.268295     -2.906307      1.432821
  C      -1.844641     -2.475827      0.151628
  C      -1.275970     -1.224275      0.003675
  C      -1.150952     -0.345495      1.101252
  C      -1.544167     -0.749622      2.361233
  C      -2.039259     -2.056646      2.555041
  N      -2.486639     -2.550068      3.762185
  C      -2.111881     -2.007837      4.911177
  C      -0.862434     -1.338914      5.260148
  O      -0.724115     -0.570171      6.175287
  Cl      0.603670     -1.952609      4.363582
  C      -5.947873     -5.875522      4.512940
  C      -6.834782     -6.746037      5.192800
  C      -8.128610     -6.338618      5.471301
  C      -8.583088     -5.064567      5.071010
  C      -7.726866     -4.186970      4.412336
  C      -6.396280     -4.569782      4.145248
  N      -5.442611     -3.781250      3.502576
  C      -5.719821     -2.465968      3.373437
  C      -5.253372     -1.667486      2.279645
  O      -4.855640     -2.014969      1.190486
  Cl     -5.409032      0.109539      2.667871
  C      -1.277274     -5.063607      5.602980
  C      -0.012206     -5.341567      6.174376
  C       0.244006     -4.960544      7.477367
  C      -0.737119     -4.286526      8.241506
  C      -1.989205     -4.037389      7.718071
  C      -2.296552     -4.463534      6.405936
  N      -3.510392     -4.294156      5.778390
  C      -4.639911     -4.011363      6.466936
  C      -4.998244     -4.624642      7.716137
  O      -4.449868     -5.494336      8.352015
  Cl     -6.618740     -3.961270      8.281156
  H      -2.002861     -3.099953     -0.725123
  H      -0.969342     -0.891564     -0.988818
  H      -0.772404      0.665169      0.949299
  H      -1.509588     -0.052429      3.197661
  H      -2.780426     -2.107867      5.763661
  H      -6.494153     -7.726981      5.520258
  H      -8.799060     -7.006113      6.013377
  H      -9.606953     -4.757974      5.287313
  H      -8.090754     -3.208894      4.098153
  H      -6.415557     -1.986854      4.065538
  H       0.769276     -5.811469      5.579471
  H       1.228147     -5.146492      7.908649
  H      -0.496400     -3.945899      9.248705
  H      -2.734367     -3.496053      8.298447
  H      -5.404778     -3.418226      5.978343
  N      -6.815984     -6.387103      1.862235
  N      -8.227457     -6.295018      2.051229
  H      -8.682553     -7.178254      2.357947
  H      -8.428769     -5.585241      2.799142
  H      -8.714494     -5.968316      1.196928
76
Coordinates from ORCA-job orca E -7354.127430824499
  N      -2.931455     -4.061945      1.698377
  C      -3.297050     -4.918353      0.572355
  C      -3.639353     -6.296675      1.114114
  N      -2.896883     -6.498477      2.386155
  C      -3.340882     -7.768389      3.055354
  C      -4.040336     -7.436261      4.369180
  N      -4.661092     -6.138895      4.171582
  Mo     -3.423862     -4.639825      3.603070
  N      -1.640583     -5.318749      4.319629
  C      -0.752786     -6.170669      3.523351
  C      -1.420581     -6.463944      2.191481
  H      -0.553134     -7.095704      4.090244
  H       0.218252     -5.680031      3.348858
  H      -1.076917     -7.420331      1.768355
  H      -1.186455     -5.673523      1.473582
  H      -4.777377     -8.214052      4.608741
  H      -3.323596     -7.380962      5.203647
  H      -4.039304     -8.275688      2.378453
  H      -2.474679     -8.423099      3.211088
  H      -2.465469     -4.970617     -0.145983
  H      -4.165437     -4.486665      0.048608
  H      -3.383741     -7.089836      0.392032
  H      -4.707727     -6.369481      1.355935
  C      -2.270035     -2.903594      1.430877
  C      -1.849270     -2.471438      0.149206
  C      -1.282560     -1.219061      0.001452
  C      -1.156522     -0.341157      1.099802
  C      -1.547011     -0.746766      2.360097
  C      -2.040537     -2.054528      2.553361
  N      -2.484757     -2.549825      3.760801
  C      -2.103682     -2.009858      4.909136
  C      -0.849710     -1.347734      5.253601
  O      -0.702511     -0.582437      6.170261
  Cl      0.609230     -1.965063      4.346568
  C      -5.944336     -5.875992      4.515450
  C      -6.829828     -6.746562      5.197337
  C      -8.123868     -6.340752      5.476570
  C      -8.580251     -5.067628      5.075009
  C      -7.725390     -4.190007      4.414333
  C      -6.394553     -4.571490      4.146618
  N      -5.443002     -3.782738      3.501142
  C      -5.721885     -2.467907      3.370768
  C      -5.257554     -1.671085      2.274851
  O      -4.860184     -2.020519      1.186180
  Cl     -5.415778      0.106566      2.658950
  C      -1.280862     -5.066031      5.606696
  C      -0.016896     -5.346648      6.179617
  C       0.237882     -4.968177      7.483519
  C      -0.743724     -4.294064      8.247194
  C      -1.994465     -4.041994      7.722210
  C      -2.300582     -4.465218      6.408769
  N      -3.512134     -4.290087      5.779137
  C      -4.642308     -4.003538      6.464709
  C      -5.006874     -4.616968      7.712149
  O      -4.464067     -5.490172      8.348058
  Cl     -6.625428     -3.946943      8.273847
  H      -2.008514     -3.095359     -0.727507
  H      -0.978192     -0.884847     -0.991229
  H      -0.779252      0.670019      0.948063
  H      -1.511393     -0.050309      3.197130
  H      -2.768809     -2.108772      5.764403
  H      -6.487280     -7.726251      5.526636
  H      -8.792828     -7.008404      6.020249
  H      -9.604321     -4.761872      5.291417
  H      -8.091177     -3.212760      4.099724
  H      -6.416969     -1.988721      4.063467
  H       0.764457     -5.816725      5.584709
  H       1.221092     -5.156124      7.916035
  H      -0.504207     -3.955410      9.255352
  H      -2.739627     -3.500566      8.302464
  H      -5.402475     -3.405503      5.974737
  N      -6.815628     -6.390416      1.858506
  N      -8.225211     -6.291921      2.052386
  H      -8.683202     -7.173450      2.360262
  H      -8.420355     -5.581492      2.801668
  H      -8.714803     -5.964103      1.199836
76
Coordinates from ORCA-job orca E -7354.127458328901
  N      -2.930974     -4.060855      1.696512
  C      -3.295367     -4.918473      0.570683
  C      -3.635232     -6.297184      1.113682
  N      -2.893761     -6.496418      2.385750
  C      -3.335265     -7.766816      3.055884
  C      -4.036161     -7.436315      4.369269
  N      -4.657224     -6.139030      4.173246
  Mo     -3.422653     -4.638204      3.602474
  N      -1.642171     -5.317719      4.323022
  C      -0.751085     -6.165289      3.525654
  C      -1.417216     -6.459431      2.192853
  H      -0.547786     -7.090430      4.091010
  H       0.218133     -5.670698      3.352086
  H      -1.071378     -7.415752      1.771228
  H      -1.182789     -5.669435      1.474635
  H      -4.773469     -8.214468      4.606863
  H      -3.319921     -7.382419      5.204273
  H      -4.031055     -8.276646      2.378180
  H      -2.467635     -8.419193      3.213559
  H      -2.462870     -4.969816     -0.146683
  H      -4.164100     -4.488347      0.046498
  H      -3.379126     -7.090418      0.391896
  H      -4.703779     -6.370270      1.354550
  C      -2.273509     -2.900717      1.427821
  C      -1.856758     -2.466502      0.145379
  C      -1.292932     -1.213023     -0.002579
  C      -1.165460     -0.335960      1.096581
  C      -1.551796     -0.743465      2.357430
  C      -2.042965     -2.052255      2.550453
  N      -2.482173     -2.549700      3.758677
  C      -2.092447     -2.011884      4.905600
  C      -0.832415     -1.358822      5.242876
  O      -0.672059     -0.597903      6.160926
  Cl      0.616345     -1.981939      4.320990
  C      -5.940025     -5.876684      4.518536
  C      -6.823897     -6.747434      5.202653
  C      -8.118087     -6.342896      5.482632
  C      -8.576334     -5.070759      5.079971
  C      -7.722970     -4.192997      4.417226
  C      -6.391945     -4.573193      4.148940
  N      -5.442485     -3.784787      3.500271
  C      -5.723130     -2.470085      3.368686
  C      -5.262638     -1.675805      2.269445
  O      -4.867068     -2.027303      1.180891
  Cl     -5.424355      0.103070      2.649051
  C      -1.285512     -5.068935      5.611803
  C      -0.022969     -5.352557      6.186756
  C       0.229277     -4.978419      7.492243
  C      -0.753580     -4.305641      8.255682
  C      -2.002614     -4.050004      7.728568
  C      -2.306359     -4.468329      6.412929
  N      -3.514829     -4.285554      5.780472
  C      -4.645865     -3.994583      6.462300
  C      -5.018016     -4.608678      7.707299
  O      -4.482398     -5.487183      8.342114
  Cl     -6.633658     -3.930501      8.265878
  H      -2.017163     -3.090614     -0.730999
  H      -0.991742     -0.876949     -0.995599
  H      -0.790311      0.675990      0.944736
  H      -1.514472     -0.047888      3.195197
  H      -2.752474     -2.109440      5.764877
  H      -6.479546     -7.725826      5.533953
  H      -8.785498     -7.010741      6.027950
  H      -9.600523     -4.765623      5.296613
  H      -8.090931     -3.216655      4.102280
  H      -6.416822     -1.990823      4.062648
  H       0.758711     -5.821791      5.591644
  H       1.211279     -5.168584      7.926512
  H      -0.516194     -3.970400      9.265497
  H      -2.748075     -3.509294      8.309073
  H      -5.400252     -3.390434      5.970839
  N      -6.815516     -6.393110      1.855544
  N      -8.222562     -6.285252      2.052454
  H      -8.687362     -7.164580      2.357328
  H      -8.411723     -5.577055      2.805817
  H      -8.712900     -5.950450      1.202803
76
Coordinates from ORCA-job orca E -7354.127485571618
  N      -2.931481     -4.060218      1.694835
  C      -3.294244     -4.919037      0.569445
  C      -3.631302     -6.298246      1.113839
  N      -2.890013     -6.494709      2.385825
  C      -3.328846     -7.765471      3.056885
  C      -4.032424     -7.436309      4.369332
  N      -4.653989     -6.139332      4.174125
  Mo     -3.421693     -4.636676      3.602006
  N      -1.643586     -5.316734      4.326061
  C      -0.748787     -6.159732      3.527753
  C      -1.413373     -6.454725      2.194183
  H      -0.541872     -7.084957      4.091580
  H       0.218454     -5.660895      3.355413
  H      -1.065545     -7.410716      1.773327
  H      -1.179610     -5.664747      1.475788
  H      -4.769603     -8.215168      4.604937
  H      -3.316655     -7.383193      5.204792
  H      -4.021003     -8.278421      2.377795
  H      -2.460000     -8.415446      3.217930
  H      -2.460484     -4.969701     -0.146634
  H      -4.162882     -4.491099      0.043590
  H      -3.373010     -7.091483      0.392882
  H      -4.699998     -6.371842      1.353586
  C      -2.277940     -2.898160      1.425003
  C      -1.865210     -2.461979      0.141843
  C      -1.304080     -1.207451     -0.006437
  C      -1.174900     -0.331259      1.093432
  C      -1.556906     -0.740723      2.354889
  C      -2.045956     -2.050401      2.547752
  N      -2.479675     -2.549986      3.756956
  C      -2.081294     -2.014375      4.902395
  C      -0.815497     -1.369995      5.232159
  O      -0.641782     -0.613791      6.151601
  Cl      0.622865     -1.998715      4.295214
  C      -5.936362     -5.877638      4.521166
  C      -6.818914     -6.748768      5.206675
  C      -8.113028     -6.344575      5.487808
  C      -8.572422     -5.073047      5.085216
  C      -7.720492     -4.195138      4.420608
  C      -6.389382     -4.574481      4.151580
  N      -5.441543     -3.786765      3.500108
  C      -5.723594     -2.472017      3.367129
  C      -5.267645     -1.680383      2.264299
  O      -4.874697     -2.033631      1.175508
  Cl     -5.432563      0.099808      2.640140
  C      -1.289969     -5.071486      5.616461
  C      -0.028923     -5.357783      6.193601
  C       0.220523     -4.987819      7.500687
  C      -0.763682     -4.316494      8.263745
  C      -2.011027     -4.057550      7.734323
  C      -2.312068     -4.471230      6.416539
  N      -3.517700     -4.281741      5.781337
  C      -4.649379     -3.986666      6.459871
  C      -5.027958     -4.600887      7.702953
  O      -4.498958     -5.484411      8.336433
  Cl     -6.640534     -3.914984      8.259448
  H      -2.026710     -3.086199     -0.734281
  H      -1.006067     -0.869653     -0.999827
  H      -0.801808      0.681424      0.941427
  H      -1.517572     -0.046244      3.193540
  H      -2.735774     -2.111559      5.765921
  H      -6.473645     -7.726598      5.538631
  H      -8.779294     -7.012703      6.034208
  H      -9.596463     -4.768058      5.302740
  H      -8.089962     -3.219287      4.105899
  H      -6.415698     -1.992378      4.062304
  H       0.753445     -5.825976      5.598607
  H       1.201279     -5.180006      7.936880
  H      -0.528591     -3.984606      9.275211
  H      -2.756798     -3.517399      8.314920
  H      -5.398761     -3.377301      5.967125
  N      -6.814478     -6.396275      1.852551
  N      -8.219207     -6.277990      2.051953
  H      -8.692044     -7.153631      2.355867
  H      -8.403088     -5.570011      2.807137
  H      -8.708718     -5.936745      1.204257
76
Coordinates from ORCA-job orca E -7354.127513667889
  N      -2.933230     -4.059776      1.693682
  C      -3.294288     -4.919763      0.569105
  C      -3.628010     -6.299570      1.114673
  N      -2.886005     -6.493335      2.386546
  C      -3.322293     -7.764316      3.058466
  C      -4.028927     -7.435963      4.369851
  N      -4.651400     -6.139605      4.174481
  Mo     -3.420911     -4.635163      3.601689
  N      -1.644534     -5.316075      4.328501
  C      -0.746165     -6.154786      3.529457
  C      -1.409467     -6.450185      2.195309
  H      -0.536231     -7.080196      4.091789
  H       0.219210     -5.651906      3.358659
  H      -1.060016     -7.405415      1.773999
  H      -1.177368     -5.659465      1.477227
  H      -4.765419     -8.215812      4.604171
  H      -3.313476     -7.382563      5.205552
  H      -4.010915     -8.280373      2.378111
  H      -2.452459     -8.412130      3.223042
  H      -2.459558     -4.969608     -0.146087
  H      -4.162954     -4.494530      0.041264
  H      -3.365824     -7.092515      0.394835
  H      -4.696674     -6.374778      1.353391
  C      -2.283014     -2.895985      1.422602
  C      -1.874467     -2.458173      0.138718
  C      -1.315258     -1.202840     -0.010058
  C      -1.183541     -0.327653      1.090347
  C      -1.561185     -0.738898      2.352551
  C      -2.048844     -2.049096      2.545349
  N      -2.477147     -2.550611      3.755624
  C      -2.071332     -2.016655      4.899626
  C      -0.800737     -1.379505      5.222558
  O      -0.615409     -0.627213      6.142876
  Cl      0.628524     -2.013405      4.272866
  C      -5.933526     -5.878728      4.523127
  C      -6.815319     -6.750498      5.208638
  C      -8.109292     -6.345958      5.490882
  C      -8.568989     -5.074516      5.089612
  C      -7.718170     -4.196332      4.423922
  C      -6.387072     -4.575353      4.154058
  N      -5.440285     -3.788421      3.500591
  C      -5.723292     -2.473520      3.366242
  C      -5.272212     -1.684093      2.260106
  O      -4.882020     -2.038473      1.170802
  Cl     -5.440322      0.097203      2.633043
  C      -1.293827     -5.073908      5.620280
  C      -0.034305     -5.362790      6.199620
  C       0.212432     -4.996671      7.508207
  C      -0.772884     -4.326450      8.270786
  C      -2.018591     -4.064358      7.739055
  C      -2.317040     -4.473977      6.419376
  N      -3.520249     -4.278739      5.781604
  C      -4.652310     -3.979934      6.457442
  C      -5.036323     -4.593749      7.699127
  O      -4.513177     -5.481495      8.331585
  Cl     -6.646018     -3.900663      8.254028
  H      -2.037647     -3.082078     -0.737341
  H      -1.020505     -0.863631     -1.003935
  H      -0.811875      0.685520      0.938128
  H      -1.519310     -0.045784      3.192262
  H      -2.721088     -2.113111      5.766759
  H      -6.470120     -7.728653      5.539602
  H      -8.775063     -7.014558      6.037360
  H      -9.592720     -4.769390      5.308425
  H      -8.088144     -3.220424      4.110005
  H      -6.413670     -1.993229      4.062609
  H       0.748999     -5.829996      5.605113
  H       1.191947     -5.190900      7.946290
  H      -0.539905     -3.997603      9.283736
  H      -2.764484     -3.524243      8.319494
  H      -5.397554     -3.366351      5.963631
  N      -6.812177     -6.401508      1.850484
  N      -8.214909     -6.271128      2.051703
  H      -8.695930     -7.142470      2.355517
  H      -8.394487     -5.562093      2.807042
  H      -8.701832     -5.923662      1.204998
76
Coordinates from ORCA-job orca E -7354.127542037496
  N      -2.935973     -4.059435      1.693403
  C      -3.295719     -4.920354      0.569678
  C      -3.626151     -6.300885      1.115664
  N      -2.882902     -6.492520      2.387656
  C      -3.317126     -7.763624      3.060153
  C      -4.027731     -7.435500      4.369870
  N      -4.650830     -6.139696      4.173218
  Mo     -3.420721     -4.634117      3.601544
  N      -1.644952     -5.315766      4.329759
  C      -0.743829     -6.150984      3.530019
  C      -1.406631     -6.446828      2.195735
  H      -0.531211     -7.076426      4.091229
  H       0.219771     -5.644437      3.360285
  H      -1.056310     -7.401211      1.773245
  H      -1.176744     -5.655116      1.478028
  H      -4.763729     -8.216179      4.602807
  H      -3.313514     -7.381296      5.206563
  H      -4.002270     -8.282790      2.378625
  H      -2.446269     -8.409161      3.228306
  H      -2.460810     -4.968984     -0.145540
  H      -4.164855     -4.497710      0.040499
  H      -3.359124     -7.093114      0.396827
  H      -4.694731     -6.378821      1.353247
  C      -2.287265     -2.894732      1.421407
  C      -1.881958     -2.455984      0.137006
  C      -1.322998     -1.200449     -0.012122
  C      -1.188239     -0.326338      1.088627
  C      -1.562753     -0.738709      2.351486
  C      -2.050494     -2.048828      2.544178
  N      -2.475052     -2.551622      3.755253
  C      -2.064820     -2.018941      4.898520
  C      -0.791421     -1.386124      5.217526
  O      -0.599164     -0.636746      6.138766
  Cl      0.632303     -2.022636      4.259970
  C      -5.932820     -5.879144      4.523231
  C      -6.814680     -6.751424      5.207538
  C      -8.108295     -6.345738      5.491082
  C      -8.567215     -5.073733      5.092069
  C      -7.716802     -4.195426      4.426104
  C      -6.385847     -4.574900      4.155450
  N      -5.439184     -3.788683      3.501382
  C      -5.722022     -2.473471      3.366251
  C      -5.274602     -1.685131      2.258125
  O      -4.886610     -2.039769      1.168133
  Cl     -5.444190      0.096701      2.629971
  C      -1.296084     -5.075164      5.622207
  C      -0.037493     -5.365334      6.203011
  C       0.207441     -5.001378      7.512504
  C      -0.778582     -4.331779      8.274652
  C      -2.023279     -4.067989      7.741339
  C      -2.319990     -4.475538      6.420631
  N      -3.521929     -4.277557      5.781140
  C      -4.654047     -3.976702      6.455821
  C      -5.040909     -4.590226      7.696789
  O      -4.521057     -5.480318      8.328624
  Cl     -6.648751     -3.892696      8.251311
  H      -2.047335     -3.078941     -0.739327
  H      -1.030742     -0.860447     -1.006461
  H      -0.816640      0.686848      0.936315
  H      -1.518363     -0.046981      3.192227
  H      -2.712024     -2.114635      5.767650
  H      -6.470608     -7.730782      5.535997
  H      -8.774335     -7.014730      6.036800
  H      -9.590506     -4.768100      5.312285
  H      -8.085955     -3.218868      4.113303
  H      -6.410673     -1.992288      4.063704
  H       0.746815     -5.831702      5.609194
  H       1.186188     -5.196724      7.951816
  H      -0.546929     -4.004612      9.288448
  H      -2.769232     -3.527585      8.321401
  H      -5.397162     -3.360769      5.961744
  N      -6.810074     -6.410107      1.848100
  N      -8.211531     -6.269740      2.052259
  H      -8.698900     -7.135861      2.360778
  H      -8.386739     -5.556367      2.804473
  H      -8.696677     -5.920722      1.205280
76
Coordinates from ORCA-job orca E -7354.127569847055
  N      -2.939015     -4.059012      1.693634
  C      -3.297928     -4.920821      0.570859
  C      -3.624745     -6.302128      1.116678
  N      -2.880430     -6.491901      2.388973
  C      -3.312961     -7.763105      3.062030
  C      -4.026871     -7.434932      4.370235
  N      -4.650686     -6.139706      4.171838
  Mo     -3.420591     -4.633275      3.601361
  N      -1.644906     -5.315943      4.330613
  C      -0.741875     -6.148448      3.530307
  C      -1.404478     -6.444238      2.195980
  H      -0.527285     -7.074007      4.090537
  H       0.220338     -5.639021      3.361443
  H      -1.053491     -7.397576      1.771765
  H      -1.176715     -5.651126      1.479087
  H      -4.762451     -8.216240      4.602275
  H      -3.314285     -7.379558      5.208239
  H      -3.995839     -8.284793      2.380147
  H      -2.440942     -8.406505      3.232297
  H      -2.463792     -4.967509     -0.145438
  H      -4.168444     -4.500612      0.041805
  H      -3.352844     -7.093308      0.398498
  H      -4.693108     -6.384131      1.353430
  C      -2.290984     -2.893860      1.420609
  C      -1.888926     -2.454457      0.135679
  C      -1.329502     -1.198947     -0.013735
  C      -1.191267     -0.326044      1.087296
  C      -1.563028     -0.739218      2.350847
  C      -2.051407     -2.049018      2.543384
  N      -2.473110     -2.553047      3.755003
  C      -2.060070     -2.021447      4.897987
  C      -0.784899     -1.391530      5.214877
  O      -0.588603     -0.644337      6.137071
  Cl      0.635308     -2.029143      4.252352
  C      -5.932705     -5.879427      4.522594
  C      -6.814960     -6.752142      5.205287
  C      -8.108375     -6.345661      5.489586
  C      -8.566405     -5.072942      5.092624
  C      -7.715991     -4.194431      4.427111
  C      -6.385147     -4.574478      4.155900
  N      -5.438371     -3.788598      3.501977
  C      -5.720800     -2.473130      3.366558
  C      -5.276474     -1.685140      2.257189
  O      -4.889997     -2.039759      1.166550
  Cl     -5.447241      0.096792      2.628196
  C      -1.297524     -5.076237      5.623371
  C      -0.039578     -5.367298      6.205316
  C       0.204211     -5.004483      7.515317
  C      -0.782139     -4.334836      8.277013
  C      -2.026098     -4.069987      7.742543
  C      -2.321792     -4.476662      6.421348
  N      -3.522974     -4.277119      5.780587
  C      -4.655070     -3.974854      6.454543
  C      -5.044161     -4.587802      7.695177
  O      -4.526646     -5.478997      8.327284
  Cl     -6.650933     -3.886864      8.248680
  H      -2.057163     -3.075964     -0.741135
  H      -1.039720     -0.858360     -1.008591
  H      -0.819077      0.686929      0.934977
  H      -1.516144     -0.048824      3.192538
  H      -2.706133     -2.115830      5.768104
  H      -6.472054     -7.732755      5.531147
  H      -8.774976     -7.015040      6.034159
  H      -9.589440     -4.767102      5.313782
  H      -8.083846     -3.217090      4.115265
  H      -6.407692     -1.991084      4.065223
  H       0.745609     -5.833243      5.612348
  H       1.182431     -5.200687      7.955427
  H      -0.551211     -4.008423      9.291211
  H      -2.772046     -3.528974      8.322011
  H      -5.396805     -3.357459      5.960278
  N      -6.807799     -6.421099      1.846911
  N      -8.207947     -6.268206      2.053690
  H      -8.700827     -7.129754      2.365873
  H      -8.378302     -5.550786      2.803006
  H      -8.690443     -5.917823      1.205846
76
Coordinates from ORCA-job orca E -7354.127598730030
  N      -2.941930     -4.059018      1.694287
  C      -3.300553     -4.921436      0.572008
  C      -3.624190     -6.303632      1.116983
  N      -2.879343     -6.491893      2.390071
  C      -3.310543     -7.763220      3.063517
  C      -4.029153     -7.434832      4.369162
  N      -4.652680     -6.139660      4.168489
  Mo     -3.421089     -4.633220      3.601246
  N      -1.644442     -5.316165      4.330626
  C      -0.740514     -6.146831      3.529623
  C      -1.403704     -6.443152      2.195649
  H      -0.523834     -7.072150      4.089422
  H       0.220421     -5.635062      3.360507
  H      -1.052526     -7.395826      1.770212
  H      -1.177579     -5.649195      1.479096
  H      -4.765408     -8.216177      4.598922
  H      -3.320057     -7.378971      5.210118
  H      -3.990642     -8.287736      2.381016
  H      -2.437001     -8.403819      3.236291
  H      -2.467805     -4.965707     -0.145983
  H      -4.172916     -4.503029      0.044304
  H      -3.347937     -7.093618      0.399124
  H      -4.692424     -6.390143      1.352633
  C      -2.292866     -2.894301      1.420762
  C      -1.892425     -2.454886      0.135569
  C      -1.331419     -1.199874     -0.013848
  C      -1.190371     -0.327903      1.087315
  C      -1.561165     -0.741098      2.351261
  C      -2.051029     -2.050282      2.543636
  N      -2.472257     -2.554719      3.755329
  C      -2.059901     -2.023535      4.898805
  C      -0.785199     -1.393118      5.216960
  O      -0.590349     -0.646745      6.140195
  Cl      0.635778     -2.028599      4.254850
  C      -5.934495     -5.878583      4.520277
  C      -6.817645     -6.751164      5.201475
  C      -8.110518     -6.343410      5.487140
  C      -8.567007     -5.069583      5.092312
  C      -7.716019     -4.191371      4.427166
  C      -6.385455     -4.572604      4.155344
  N      -5.437917     -3.786983      3.502463
  C      -5.718861     -2.471098      3.367531
  C      -5.275784     -1.682847      2.258013
  O      -4.890321     -2.037400      1.166816
  Cl     -5.445293      0.098820      2.629100
  C      -1.297208     -5.075959      5.623009
  C      -0.038963     -5.366017      6.204982
  C       0.204763     -5.002568      7.514829
  C      -0.781790     -4.333033      8.276428
  C      -2.025926     -4.069230      7.741922
  C      -2.321572     -4.476927      6.421074
  N      -3.523147     -4.278957      5.780118
  C      -4.655034     -3.977593      6.455004
  C      -5.043429     -4.590954      7.695693
  O      -4.525239     -5.481561      8.327970
  Cl     -6.650350     -3.890279      8.249765
  H      -2.063203     -3.074799     -0.741864
  H      -1.042854     -0.859282     -1.009054
  H      -0.816727      0.684564      0.935139
  H      -1.512661     -0.051523      3.193498
  H      -2.707093     -2.117015      5.768183
  H      -6.476282     -7.733221      5.524592
  H      -8.777922     -7.012760      6.030737
  H      -9.589686     -4.763170      5.314322
  H      -8.081914     -3.212981      4.116335
  H      -6.403985     -1.988077      4.067365
  H       0.746959     -5.831435      5.612575
  H       1.183186     -5.198114      7.954776
  H      -0.550739     -4.005914      9.290362
  H      -2.772152     -3.528093      8.320898
  H      -5.397596     -3.360572      5.961583
  N      -6.807143     -6.434038      1.844360
  N      -8.206456     -6.271264      2.054956
  H      -8.704116     -7.126507      2.376413
  H      -8.369970     -5.546014      2.798113
  H      -8.687975     -5.925503      1.204911
76
Coordinates from ORCA-job orca E -7354.127629015415
  N      -2.944146     -4.059314      1.694573
  C      -3.302838     -4.922537      0.572917
  C      -3.622296     -6.305717      1.117228
  N      -2.877967     -6.491778      2.391121
  C      -3.307565     -7.763264      3.065462
  C      -4.030071     -7.434976      4.368792
  N      -4.653530     -6.139906      4.166171
  Mo     -3.421243     -4.633178      3.600885
  N      -1.643841     -5.316531      4.331319
  C      -0.739121     -6.145440      3.529811
  C      -1.402518     -6.441883      2.195948
  H      -0.520749     -7.070671      4.089094
  H       0.220909     -5.631971      3.360493
  H      -1.050506     -7.393806      1.769580
  H      -1.177365     -5.646988      1.480040
  H      -4.767191     -8.216210      4.596248
  H      -3.324656     -7.378932      5.212868
  H      -3.985499     -8.290459      2.382881
  H      -2.432207     -8.400888      3.239765
  H      -2.471956     -4.963763     -0.147237
  H      -4.177880     -4.505960      0.047993
  H      -3.342184     -7.094529      0.399552
  H      -4.690305     -6.397483      1.351998
  C      -2.294997     -2.894742      1.420060
  C      -1.896908     -2.454960      0.134417
  C      -1.335369     -1.200051     -0.015064
  C      -1.191905     -0.328950      1.086323
  C      -1.561078     -0.742410      2.350739
  C      -2.051374     -2.051381      2.542980
  N      -2.471578     -2.556841      3.754675
  C      -2.059015     -2.026118      4.898486
  C      -0.784279     -1.396045      5.217230
  O      -0.589989     -0.650605      6.141465
  Cl      0.636498     -2.029640      4.254280
  C      -5.935083     -5.878276      4.518798
  C      -6.818724     -6.750685      5.199327
  C      -8.111386     -6.342708      5.485657
  C      -8.567173     -5.068210      5.091821
  C      -7.715787     -4.190159      4.426965
  C      -6.385380     -4.572063      4.154764
  N      -5.437601     -3.786431      3.502467
  C      -5.717818     -2.470239      3.368245
  C      -5.276586     -1.682084      2.258075
  O      -4.892209     -2.037258      1.166478
  Cl     -5.445790      0.099413      2.627791
  C      -1.297328     -5.076342      5.623556
  C      -0.038839     -5.365653      6.205760
  C       0.204721     -5.001791      7.515484
  C      -0.782158     -4.332403      8.277008
  C      -2.026362     -4.069541      7.742440
  C      -2.321962     -4.477903      6.421790
  N      -3.523583     -4.280557      5.780601
  C      -4.655486     -3.979767      6.455604
  C      -5.044261     -4.593152      7.696329
  O      -4.526131     -5.483222      8.329306
  Cl     -6.651475     -3.892238      8.249388
  H      -2.070133     -3.073494     -0.743485
  H      -1.048584     -0.859103     -1.010658
  H      -0.817605      0.683302      0.934267
  H      -1.511166     -0.053379      3.193309
  H      -2.706699     -2.118705      5.767566
  H      -6.477936     -7.733370      5.521201
  H      -8.779193     -7.012011      6.028760
  H      -9.589803     -4.761825      5.314056
  H      -8.080472     -3.211115      4.116722
  H      -6.400982     -1.986632      4.069698
  H       0.747649     -5.830667      5.613788
  H       1.183312     -5.196813      7.955278
  H      -0.551031     -4.004632      9.290710
  H      -2.773038     -3.528540      8.320945
  H      -5.398356     -3.362989      5.962407
  N      -6.806296     -6.447601      1.843032
  N      -8.203450     -6.266157      2.055895
  H      -8.708888     -7.115697      2.380180
  H      -8.358007     -5.536383      2.796468
  H      -8.680793     -5.919567      1.203903
76
Coordinates from ORCA-job orca E -7354.127661804547
  N      -2.945461     -4.060472      1.695060
  C      -3.306205     -4.923723      0.573441
  C      -3.621385     -6.308402      1.116738
  N      -2.878126     -6.492186      2.391727
  C      -3.305923     -7.763859      3.067093
  C      -4.035352     -7.435746      4.366254
  N      -4.657215     -6.140016      4.161347
  Mo     -3.422302     -4.634014      3.600900
  N      -1.642918     -5.316051      4.331042
  C      -0.738190     -6.143766      3.528686
  C      -1.402811     -6.441711      2.195571
  H      -0.517375     -7.068308      4.088162
  H       0.220889     -5.629050      3.357450
  H      -1.050317     -7.393721      1.769801
  H      -1.178061     -5.647274      1.478968
  H      -4.774917     -8.216201      4.588592
  H      -3.336035     -7.380970      5.215549
  H      -3.979112     -8.295237      2.383050
  H      -2.428290     -8.397074      3.245613
  H      -2.478030     -4.961923     -0.149731
  H      -4.184375     -4.507798      0.053173
  H      -3.337801     -7.095852      0.398911
  H      -4.689307     -6.406282      1.350104
  C      -2.294416     -2.897067      1.420398
  C      -1.895848     -2.457659      0.134722
  C      -1.332876     -1.203382     -0.014488
  C      -1.188808     -0.332415      1.086954
  C      -1.558860     -0.745200      2.351293
  C      -2.050204     -2.053795      2.543526
  N      -2.472323     -2.558808      3.754762
  C      -2.063391     -2.027399      4.899554
  C      -0.790867     -1.394419      5.222303
  O      -0.602388     -0.648411      6.147402
  Cl      0.634191     -2.023350      4.264127
  C      -5.938105     -5.876444      4.515272
  C      -6.822840     -6.747947      5.195579
  C      -8.114773     -6.338735      5.483210
  C      -8.568993     -5.063208      5.090294
  C      -7.716455     -4.186026      4.425504
  C      -6.386436     -4.569394      4.153192
  N      -5.437509     -3.784176      3.502322
  C      -5.715579     -2.467216      3.369887
  C      -5.273673     -1.679034      2.260061
  O      -4.890289     -2.034954      1.168180
  Cl     -5.439226      0.102269      2.629805
  C      -1.295278     -5.074420      5.622466
  C      -0.035192     -5.360080      6.203230
  C       0.209304     -4.994242      7.512212
  C      -0.778210     -4.326483      8.274535
  C      -2.023802     -4.067481      7.741518
  C      -2.320213     -4.477957      6.421723
  N      -3.523241     -4.284925      5.781874
  C      -4.655069     -3.987971      6.458916
  C      -5.040096     -4.603246      7.699950
  O      -4.518063     -5.491404      8.332354
  Cl     -6.648864     -3.907445      8.255155
  H      -2.070037     -3.075448     -0.743489
  H      -1.045710     -0.862771     -1.010088
  H      -0.813377      0.679455      0.935098
  H      -1.508888     -0.055726      3.193463
  H      -2.713775     -2.120077      5.766604
  H      -6.483099     -7.731285      5.516659
  H      -8.783258     -7.007346      6.026255
  H      -9.591393     -4.756085      5.312479
  H      -8.079606     -3.206188      4.115891
  H      -6.396833     -1.983179      4.072952
  H       0.751642     -5.823829      5.610709
  H       1.189090     -5.186364      7.950611
  H      -0.546286     -3.996893      9.287463
  H      -2.771509     -3.528123      8.320249
  H      -5.401130     -3.373850      5.967230
  N      -6.809733     -6.464398      1.840188
  N      -8.204666     -6.267273      2.055976
  H      -8.718505     -7.107945      2.390250
  H      -8.347880     -5.528656      2.790002
  H      -8.680629     -5.926533      1.200992
76
Coordinates from ORCA-job orca E -7354.127692707289
  N      -2.945597     -4.061788      1.694602
  C      -3.308413     -4.925061      0.573323
  C      -3.618888     -6.311122      1.116831
  N      -2.877005     -6.492121      2.392065
  C      -3.302774     -7.763988      3.068679
  C      -4.037579     -7.436703      4.364766
  N      -4.658425     -6.140587      4.159023
  Mo     -3.422736     -4.634565      3.600701
  N      -1.642598     -5.315291      4.331546
  C      -0.736763     -6.141035      3.528612
  C      -1.401659     -6.440360      2.195896
  H      -0.513629     -7.065110      4.087940
  H       0.221418     -5.624933      3.356335
  H      -1.048137     -7.392546      1.771281
  H      -1.177235     -5.646606      1.478432
  H      -4.778883     -8.216810      4.582629
  H      -3.342321     -7.383531      5.217530
  H      -3.971415     -8.298972      2.382981
  H      -2.423534     -8.393731      3.251398
  H      -2.482212     -4.961260     -0.152068
  H      -4.189065     -4.509923      0.056836
  H      -3.332259     -7.097750      0.399292
  H      -4.686837     -6.413340      1.348572
  C      -2.294887     -2.898478      1.419523
  C      -1.896445     -2.458783      0.133734
  C      -1.334100     -1.204381     -0.015451
  C      -1.190509     -0.333255      1.086126
  C      -1.560274     -0.746140      2.350420
  C      -2.050915     -2.055037      2.542748
  N      -2.472920     -2.560218      3.753919
  C      -2.064298     -2.028326      4.898761
  C      -0.791919     -1.395509      5.221932
  O      -0.603752     -0.650165      6.147700
  Cl      0.633356     -2.022783      4.263124
  C      -5.938734     -5.876068      4.514182
  C      -6.823603     -6.747182      5.195071
  C      -8.115093     -6.337396      5.483725
  C      -8.568897     -5.061585      5.091250
  C      -7.716204     -4.184898      4.425732
  C      -6.386365     -4.568758      4.153177
  N      -5.437400     -3.784127      3.501998
  C      -5.714878     -2.466652      3.370214
  C      -5.273841     -1.679814      2.259125
  O      -4.892222     -2.037406      1.167156
  Cl     -5.437840      0.101957      2.627182
  C      -1.295145     -5.073815      5.623028
  C      -0.034330     -5.357517      6.203345
  C       0.209911     -4.991755      7.512327
  C      -0.778590     -4.326032      8.275271
  C      -2.024748     -4.068916      7.742821
  C      -2.320884     -4.479158      6.422848
  N      -3.524109     -4.287077      5.783499
  C      -4.656202     -3.991920      6.460667
  C      -5.040123     -4.608326      7.701603
  O      -4.516988     -5.496507      8.333062
  Cl     -6.649105     -3.914436      8.257871
  H      -2.070330     -3.076895     -0.744309
  H      -1.047026     -0.863539     -1.010999
  H      -0.815707      0.678848      0.934268
  H      -1.510321     -0.056216      3.192225
  H      -2.714610     -2.121738      5.765781
  H      -6.483936     -7.730463      5.516432
  H      -8.783486     -7.005664      6.027284
  H      -9.591121     -4.754040      5.313586
  H      -8.079368     -3.204837      4.116770
  H      -6.394579     -1.982483      4.074624
  H       0.752781     -5.819878      5.610109
  H       1.190200     -5.182253      7.950305
  H      -0.546871     -3.996365      9.288224
  H      -2.773328     -3.531218      8.321991
  H      -5.403351     -3.378854      5.969263
  N      -6.812009     -6.478014      1.836693
  N      -8.203074     -6.259277      2.056106
  H      -8.728016     -7.091312      2.395220
  H      -8.334023     -5.514988      2.786715
  H      -8.675816     -5.917789      1.199610
76
Coordinates from ORCA-job orca E -7354.127724369451
  N      -2.945193     -4.064636      1.694683
  C      -3.313270     -4.926594      0.573692
  C      -3.617711     -6.314863      1.117131
  N      -2.876933     -6.492977      2.392557
  C      -3.300273     -7.765040      3.070566
  C      -4.043486     -7.438599      4.362087
  N      -4.662173     -6.141532      4.155416
  Mo     -3.424021     -4.636369      3.601366
  N      -1.641802     -5.313707      4.330890
  C      -0.735391     -6.137954      3.527150
  C      -1.401589     -6.440018      2.195664
  H      -0.509505     -7.061050      4.087008
  H       0.221891     -5.620972      3.352427
  H      -1.047597     -7.393103      1.773306
  H      -1.177986     -5.648178      1.475868
  H      -4.787482     -8.218071      4.573055
  H      -3.353689     -7.388167      5.219492
  H      -3.961421     -8.305195      2.381637
  H      -2.419403     -8.390242      3.260809
  H      -2.490617     -4.961080     -0.155676
  H      -4.197173     -4.511134      0.063481
  H      -3.326789     -7.100004      0.399635
  H      -4.685644     -6.423896      1.346304
  C      -2.293337     -2.902244      1.420016
  C      -1.892152     -2.463099      0.134545
  C      -1.329795     -1.209016     -0.014597
  C      -1.188703     -0.336784      1.086760
  C      -1.560448     -0.748922      2.350541
  C      -2.050777     -2.057963      2.543346
  N      -2.475036     -2.561663      3.754276
  C      -2.070599     -2.027651      4.899565
  C      -0.800732     -1.391551      5.226059
  O      -0.617627     -0.645111      6.151993
  Cl      0.629216     -2.015001      4.272234
  C      -5.941754     -5.875200      4.511896
  C      -6.827576     -6.745711      5.192609
  C      -8.118210     -6.333908      5.482523
  C      -8.570340     -5.057274      5.091468
  C      -7.716738     -4.181465      4.425593
  C      -6.387321     -4.566726      4.153030
  N      -5.437391     -3.783455      3.502180
  C      -5.713031     -2.464967      3.371545
  C      -5.271076     -1.679706      2.259709
  O      -4.891449     -2.039016      1.167687
  Cl     -5.431067      0.102681      2.627411
  C      -1.292622     -5.070725      5.621781
  C      -0.029844     -5.349657      6.200006
  C       0.215193     -4.982530      7.508428
  C      -0.774465     -4.320295      8.272848
  C      -2.022480     -4.067800      7.742515
  C      -2.319143     -4.479202      6.422983
  N      -3.524042     -4.291805      5.785905
  C      -4.656199     -4.001368      6.464899
  C      -5.034530     -4.619608      7.706676
  O      -4.506315     -5.506281      8.336052
  Cl     -6.644658     -3.932611      8.267360
  H      -2.063840     -3.082625     -0.742950
  H      -1.040568     -0.868734     -1.009716
  H      -0.814426      0.675482      0.934741
  H      -1.511776     -0.057567      3.191242
  H      -2.722736     -2.123121      5.765000
  H      -6.489030     -7.729485      5.513579
  H      -8.787166     -7.001589      6.026135
  H      -9.592070     -4.748307      5.314018
  H      -8.079463     -3.200798      4.117940
  H      -6.391285     -1.980804      4.077205
  H       0.757292     -5.809710      5.605003
  H       1.196897     -5.169165      7.944912
  H      -0.542312     -3.989585      9.285370
  H      -2.772210     -3.532953      8.322897
  H      -5.407460     -3.392374      5.974620
  N      -6.818409     -6.498046      1.831718
  N      -8.204325     -6.252765      2.052842
  H      -8.744559     -7.072231      2.399153
  H      -8.319724     -5.500901      2.778145
  H      -8.673110     -5.910279      1.194545
76
Coordinates from ORCA-job orca E -7354.127747504463
  N      -2.945344     -4.065755      1.694592
  C      -3.315388     -4.927441      0.574338
  C      -3.616127     -6.316784      1.118195
  N      -2.875627     -6.493380      2.393146
  C      -3.297915     -7.765486      3.071707
  C      -4.044725     -7.439594      4.361464
  N      -4.662766     -6.142373      4.154655
  Mo     -3.424223     -4.637252      3.601454
  N      -1.641733     -5.313352      4.330593
  C      -0.733970     -6.135940      3.526613
  C      -1.400299     -6.439407      2.195673
  H      -0.506455     -7.058649      4.086428
  H       0.222433     -5.617456      3.351635
  H      -1.046120     -7.392700      1.773912
  H      -1.178007     -5.648165      1.474818
  H      -4.789320     -8.219178      4.569786
  H      -3.356492     -7.390101      5.220171
  H      -3.955788     -8.307846      2.381368
  H      -2.416579     -8.388966      3.265439
  H      -2.494515     -4.961234     -0.157102
  H      -4.200910     -4.512688      0.066493
  H      -3.321818     -7.101095      0.401102
  H      -4.684182     -6.428163      1.345160
  C      -2.293976     -2.903180      1.419930
  C      -1.892487     -2.463980      0.134524
  C      -1.330744     -1.209715     -0.014796
  C      -1.190488     -0.337144      1.086454
  C      -1.562176     -0.749428      2.350191
  C      -2.051862     -2.058682      2.543207
  N      -2.475669     -2.562257      3.754331
  C      -2.071435     -2.027616      4.899402
  C      -0.801779     -1.391204      5.225529
  O      -0.618275     -0.645042      6.151600
  Cl      0.628250     -2.014063      4.271055
  C      -5.942284     -5.875819      4.511596
  C      -6.828397     -6.746670      5.191291
  C      -8.118678     -6.333833      5.482244
  C      -8.569979     -5.056719      5.093145
  C      -7.716444     -4.180970      4.426973
  C      -6.387165     -4.566684      4.153803
  N      -5.437338     -3.784180      3.502266
  C      -5.712721     -2.465429      3.371092
  C      -5.271955     -1.681354      2.258007
  O      -4.893594     -2.041602      1.165902
  Cl     -5.431728      0.101476      2.624659
  C      -1.292749     -5.070456      5.621679
  C      -0.029787     -5.348541      6.199820
  C       0.214825     -4.981904      7.508449
  C      -0.775375     -4.320898      8.273119
  C      -2.023559     -4.069003      7.742814
  C      -2.319787     -4.479931      6.423017
  N      -3.524820     -4.292781      5.786154
  C      -4.657095     -4.002946      6.464995
  C      -5.034945     -4.621380      7.706848
  O      -4.506464     -5.508490      8.335385
  Cl     -6.644484     -3.934460      8.268830
  H      -2.063314     -3.084145     -0.742697
  H      -1.041211     -0.869424     -1.009819
  H      -0.816931      0.675354      0.934254
  H      -1.513789     -0.057885      3.190758
  H      -2.723209     -2.123821      5.765026
  H      -6.490667     -7.731222      5.510641
  H      -8.787842     -7.001827      6.025268
  H      -9.591297     -4.747040      5.316562
  H      -8.078948     -3.199791      4.120721
  H      -6.390100     -1.980883      4.077264
  H       0.757613     -5.807603      5.604409
  H       1.196598     -5.167911      7.945054
  H      -0.543622     -3.990638      9.285879
  H      -2.773516     -3.534798      8.323496
  H      -5.408698     -3.394399      5.974676
  N      -6.819404     -6.511320      1.825664
  N      -8.200729     -6.245420      2.054248
  H      -8.751041     -7.055290      2.407287
  H      -8.303692     -5.487572      2.775145
  H      -8.667756     -5.901051      1.195792
76
Coordinates from ORCA-job orca E -7354.127769831623
  N      -2.944549     -4.070884      1.696833
  C      -3.323814     -4.929057      0.577534
  C      -3.618654     -6.320942      1.120510
  N      -2.876960     -6.497256      2.395089
  C      -3.298144     -7.769443      3.073808
  C      -4.052959     -7.443718      4.360072
  N      -4.668136     -6.145104      4.153621
  Mo     -3.425702     -4.642382      3.604331
  N      -1.640156     -5.312220      4.327650
  C      -0.732905     -6.135172      3.523087
  C      -1.401813     -6.442986      2.194704
  H      -0.503554     -7.056373      4.084644
  H       0.222750     -5.616495      3.344955
  H      -1.049345     -7.397982      1.775344
  H      -1.182636     -5.654796      1.469594
  H      -4.799537     -8.222912      4.562308
  H      -3.367725     -7.397082      5.221320
  H      -3.948713     -8.315966      2.379806
  H      -2.416664     -8.390073      3.275935
  H      -2.509245     -4.962788     -0.160987
  H      -4.213172     -4.512439      0.078267
  H      -3.318328     -7.102523      0.402709
  H      -4.686681     -6.441679      1.343151
  C      -2.290528     -2.909755      1.424162
  C      -1.882663     -2.472704      0.139743
  C      -1.320391     -1.219030     -0.010104
  C      -1.185876     -0.343716      1.089818
  C      -1.562556     -0.754035      2.352622
  C      -2.051942     -2.063237      2.547072
  N      -2.480455     -2.563030      3.758086
  C      -2.085745     -2.023958      4.903713
  C      -0.822734     -1.377044      5.235925
  O      -0.651350     -0.625870      6.160166
  Cl      0.618528     -1.993599      4.295228
  C      -5.947892     -5.876991      4.509851
  C      -6.836478     -6.748373      5.185048
  C      -8.125898     -6.331818      5.476894
  C      -8.573339     -5.052797      5.092933
  C      -7.718045     -4.177330      4.428409
  C      -6.389320     -4.565364      4.154858
  N      -5.437845     -3.785069      3.503776
  C      -5.710733     -2.465477      3.371871
  C      -5.267723     -1.683009      2.258562
  O      -4.890001     -2.044241      1.166701
  Cl     -5.423629      0.100401      2.625949
  C      -1.286680     -5.065019      5.617226
  C      -0.020932     -5.336560      6.191528
  C       0.226228     -4.966309      7.498812
  C      -0.764105     -4.308155      8.265210
  C      -2.015240     -4.062536      7.738347
  C      -2.313452     -4.477357      6.420261
  N      -3.522197     -4.299342      5.787598
  C      -4.653994     -4.016185      6.470047
  C      -5.021836     -4.635017      7.714558
  O      -4.484139     -5.517962      8.341189
  Cl     -6.632929     -3.958398      8.284075
  H      -2.048435     -3.095965     -0.736278
  H      -1.025673     -0.880795     -1.004303
  H      -0.813049      0.668898      0.936798
  H      -1.518135     -0.060026      3.191334
  H      -2.741594     -2.123856      5.765888
  H      -6.502286     -7.735523      5.499793
  H      -8.797077     -7.000388      6.016868
  H      -9.593603     -4.740416      5.317370
  H      -8.078906     -3.194504      4.125612
  H      -6.387763     -1.980195      4.077713
  H       0.765962     -5.793558      5.593851
  H       1.209949     -5.147340      7.933137
  H      -0.530863     -3.975495      9.276837
  H      -2.765445     -3.530445      8.320705
  H      -5.412563     -3.415159      5.981178
  N      -6.827666     -6.540604      1.816940
  N      -8.200052     -6.232778      2.044865
  H      -8.774224     -7.022513      2.405399
  H      -8.279114     -5.466972      2.759988
  H      -8.659522     -5.877780      1.186672
76
Coordinates from ORCA-job orca E -7354.127788005930
  N      -2.944735     -4.068393      1.696829
  C      -3.321634     -4.927776      0.577716
  C      -3.617238     -6.319520      1.120311
  N      -2.876580     -6.496490      2.394597
  C      -3.299147     -7.768510      3.072706
  C      -4.050523     -7.442604      4.360418
  N      -4.666496     -6.144509      4.154045
  Mo     -3.425099     -4.641273      3.603349
  N      -1.640965     -5.313289      4.327589
  C      -0.733270     -6.136200      3.523554
  C      -1.401304     -6.442888      2.194599
  H      -0.504762     -7.057832      4.084722
  H       0.222466     -5.617131      3.347014
  H      -1.048836     -7.397340      1.774128
  H      -1.181734     -5.653672      1.470667
  H      -4.796018     -8.222052      4.565600
  H      -3.363512     -7.394565      5.220171
  H      -3.953190     -8.312937      2.380356
  H      -2.417968     -8.390677      3.271327
  H      -2.506603     -4.960851     -0.160278
  H      -4.210846     -4.512074      0.077118
  H      -3.316386     -7.100940      0.402518
  H      -4.685638     -6.437155      1.341889
  C      -2.291355     -2.906787      1.423887
  C      -1.885539     -2.469057      0.139250
  C      -1.323088     -1.215221     -0.010275
  C      -1.186686     -0.340958      1.090078
  C      -1.562124     -0.751921      2.353138
  C      -2.051822     -2.061066      2.546953
  N      -2.479088     -2.562024      3.757976
  C      -2.081421     -2.024783      4.903452
  C      -0.816330     -1.380765      5.233733
  O      -0.641408     -0.630563      6.158065
  Cl      0.621501     -2.000118      4.289453
  C      -5.946622     -5.877009      4.509684
  C      -6.835070     -6.748796      5.184196
  C      -8.124587     -6.332917      5.476771
  C      -8.572309     -5.053651      5.093773
  C      -7.717516     -4.178009      4.428885
  C      -6.388703     -4.565710      4.154634
  N      -5.438265     -3.785174      3.502598
  C      -5.711667     -2.465974      3.370021
  C      -5.270103     -1.682976      2.256605
  O      -4.891675     -2.043618      1.164666
  Cl     -5.428569      0.100126      2.623165
  C      -1.288952     -5.067225      5.617751
  C      -0.024373     -5.341480      6.193491
  C       0.222010     -4.972324      7.501243
  C      -0.767990     -4.312478      8.266727
  C      -2.017938     -4.064106      7.738405
  C      -2.315559     -4.477871      6.419890
  N      -3.523119     -4.296469      5.785512
  C      -4.655003     -4.010238      6.466759
  C      -5.027188     -4.628940      7.710004
  O      -4.493361     -5.513778      8.337288
  Cl     -6.637129     -3.947214      8.276994
  H      -2.053209     -3.090987     -0.737335
  H      -1.029898     -0.876368     -1.004717
  H      -0.813270      0.671509      0.937435
  H      -1.516872     -0.059005      3.192724
  H      -2.736412     -2.122629      5.766497
  H      -6.500764     -7.736252      5.497869
  H      -8.795459     -7.001999      6.016435
  H      -9.592571     -4.741704      5.318824
  H      -8.078061     -3.195006      4.126252
  H      -6.388205     -1.980140      4.076086
  H       0.762731     -5.799615      5.596973
  H       1.204854     -5.155623      7.936585
  H      -0.535285     -3.980676      9.278762
  H      -2.767755     -3.530722      8.320050
  H      -5.410336     -3.405458      5.977534
  N      -6.825814     -6.548018      1.809687
  N      -8.195917     -6.238975      2.053697
  H      -8.767146     -7.026032      2.424623
  H      -8.269569     -5.468386      2.764444
  H      -8.662566     -5.890715      1.196643
76
Coordinates from ORCA-job orca E -7354.127802018901
  N      -2.943811     -4.065874      1.697885
  C      -3.318101     -4.925256      0.577631
  C      -3.618648     -6.316101      1.118249
  N      -2.878445     -6.496772      2.393398
  C      -3.304100     -7.768835      3.069379
  C      -4.047855     -7.442089      4.361135
  N      -4.664998     -6.144208      4.156044
  Mo     -3.424218     -4.641313      3.603272
  N      -1.641603     -5.315059      4.327260
  C      -0.735667     -6.140797      3.524136
  C      -1.403032     -6.445207      2.194287
  H      -0.510358     -7.063093      4.085506
  H       0.221366     -5.623619      3.349117
  H      -1.051328     -7.399267      1.772464
  H      -1.181895     -5.654884      1.471982
  H      -4.791503     -8.221690      4.572277
  H      -3.356512     -7.392006      5.217302
  H      -3.965267     -8.308111      2.379805
  H      -2.424253     -8.395124      3.260819
  H      -2.501724     -4.958492     -0.158808
  H      -4.205731     -4.508607      0.074600
  H      -3.320117     -7.097264      0.399209
  H      -4.687461     -6.431852      1.339921
  C      -2.290137     -2.904091      1.425641
  C      -1.884801     -2.466202      0.141098
  C      -1.321851     -1.212302     -0.007895
  C      -1.184952     -0.338639      1.092656
  C      -1.560836     -0.749650      2.355645
  C      -2.050933     -2.058722      2.548859
  N      -2.478922     -2.560069      3.759531
  C      -2.080609     -2.024419      4.905206
  C      -0.815287     -1.379765      5.235264
  O      -0.641111     -0.627818      6.158200
  Cl      0.622301     -2.001379      4.292697
  C      -5.945699     -5.877281      4.510190
  C      -6.834145     -6.749303      5.184051
  C      -8.123964     -6.334557      5.476825
  C      -8.572139     -5.055159      5.094148
  C      -7.717769     -4.179513      4.428816
  C      -6.388707     -4.566693      4.154043
  N      -5.439337     -3.785719      3.500900
  C      -5.713274     -2.467333      3.366690
  C      -5.271363     -1.683748      2.253852
  O      -4.890354     -2.043738      1.162440
  Cl     -5.432688      0.098994      2.619107
  C      -1.289448     -5.068849      5.617445
  C      -0.025750     -5.345626      6.193777
  C       0.221153     -4.975872      7.501382
  C      -0.767642     -4.312996      8.265842
  C      -2.016817     -4.062291      7.736716
  C      -2.314902     -4.476744      6.418635
  N      -3.521954     -4.293867      5.783079
  C      -4.653663     -4.005046      6.464111
  C      -5.028648     -4.623179      7.706653
  O      -4.497012     -5.508397      8.335315
  Cl     -6.638172     -3.937980      8.271341
  H      -2.053416     -3.087003     -0.736073
  H      -1.028978     -0.873322     -1.002393
  H      -0.810698      0.673604      0.940480
  H      -1.516238     -0.057372      3.195793
  H      -2.735947     -2.120785      5.768164
  H      -6.499575     -7.736843      5.497239
  H      -8.794440     -7.004107      6.016322
  H      -9.592516     -4.743782      5.319459
  H      -8.078042     -3.196537      4.125754
  H      -6.390431     -1.980378      4.071556
  H       0.760996     -5.806104      5.598591
  H       1.203407     -5.161343      7.937106
  H      -0.534623     -3.980869      9.277697
  H      -2.765871     -3.527081      8.317638
  H      -5.406724     -3.397517      5.974802
  N      -6.825598     -6.550960      1.805187
  N      -8.194100     -6.247464      2.059102
  H      -8.759070     -7.031824      2.445358
  H      -8.265852     -5.469070      2.761818
  H      -8.670181     -5.912346      1.202061
76
Coordinates from ORCA-job orca E -7354.127625058493
  N      -2.941622     -4.066056      1.699952
  C      -3.316456     -4.923900      0.579535
  C      -3.616956     -6.314622      1.120808
  N      -2.876712     -6.496332      2.394878
  C      -3.301566     -7.768162      3.071517
  C      -4.049611     -7.441494      4.360802
  N      -4.666031     -6.143745      4.154649
  Mo     -3.423038     -4.641379      3.605316
  N      -1.640055     -5.314367      4.327872
  C      -0.733424     -6.139250      3.524092
  C      -1.401437     -6.445834      2.194709
  H      -0.506423     -7.060788      4.086015
  H       0.222921     -5.621134      3.348156
  H      -1.051245     -7.401454      1.775258
  H      -1.179256     -5.657958      1.470015
  H      -4.793278     -8.221593      4.569657
  H      -3.359398     -7.391378      5.217951
  H      -3.957759     -8.310613      2.379707
  H      -2.421585     -8.392352      3.269258
  H      -2.499444     -4.958553     -0.157047
  H      -4.203699     -4.506346      0.075740
  H      -3.318435     -7.096728      0.401591
  H      -4.685170     -6.431193      1.340230
  C      -2.289084     -2.904068      1.428733
  C      -1.884125     -2.465542      0.144528
  C      -1.323432     -1.211012     -0.004432
  C      -1.188229     -0.336829      1.096398
  C      -1.562979     -0.748764      2.358783
  C      -2.050751     -2.058825      2.552094
  N      -2.477196     -2.560503      3.762285
  C      -2.079086     -2.024187      4.907571
  C      -0.813792     -1.381086      5.237690
  O      -0.638397     -0.630172      6.160057
  Cl      0.622250     -1.999054      4.292338
  C      -5.946321     -5.876274      4.508631
  C      -6.834266     -6.748032      5.183012
  C      -8.124286     -6.333055      5.474236
  C      -8.573117     -5.054818      5.089470
  C      -7.718850     -4.179594      4.424003
  C      -6.388963     -4.566263      4.151486
  N      -5.438215     -3.786095      3.500140
  C      -5.710044     -2.466640      3.365050
  C      -5.269363     -1.687620      2.249357
  O      -4.891792     -2.051407      1.158568
  Cl     -5.423940      0.096227      2.612604
  C      -1.286966     -5.068850      5.618084
  C      -0.022642     -5.344497      6.192850
  C       0.225267     -4.973633      7.499904
  C      -0.762940     -4.310539      8.264834
  C      -2.012713     -4.060841      7.736962
  C      -2.311916     -4.477147      6.419998
  N      -3.519156     -4.294778      5.785337
  C      -4.649277     -4.005265      6.468323
  C      -5.023778     -4.625873      7.709879
  O      -4.492782     -5.512334      8.336057
  Cl     -6.631387     -3.940045      8.277591
  H      -2.051307     -3.087383     -0.732226
  H      -1.031002     -0.871570     -0.998548
  H      -0.816257      0.676240      0.944475
  H      -1.519259     -0.056105      3.198592
  H      -2.734669     -2.121198      5.770387
  H      -6.499346     -7.734330      5.498801
  H      -8.794347     -7.002219      6.014557
  H      -9.594224     -4.744201      5.311907
  H      -8.079938     -3.197549      4.118436
  H      -6.384389     -1.976972      4.070765
  H       0.763450     -5.804656      5.596600
  H       1.207968     -5.157865      7.934747
  H      -0.529132     -3.977147      9.276004
  H      -2.760860     -3.525198      8.318593
  H      -5.402372     -3.397379      5.980675
  N      -6.843814     -6.579730      1.800436
  N      -8.214140     -6.250244      2.051633
  H      -8.786559     -7.027177      2.448280
  H      -8.286406     -5.456736      2.753471
  H      -8.694037     -5.920510      1.184119
76
Coordinates from ORCA-job orca E -7354.127672768721
  N      -2.940063     -4.062894      1.699629
  C      -3.314943     -4.920580      0.578128
  C      -3.615067     -6.311640      1.118113
  N      -2.877114     -6.493837      2.393683
  C      -3.304547     -7.766461      3.068133
  C      -4.040412     -7.441467      4.363161
  N      -4.658000     -6.143699      4.161226
  Mo     -3.420321     -4.639249      3.604255
  N      -1.640891     -5.316599      4.332280
  C      -0.735555     -6.143326      3.528712
  C      -1.401400     -6.444596      2.196726
  H      -0.512943     -7.066860      4.088891
  H       0.222957     -5.628425      3.355731
  H      -1.050718     -7.398865      1.774708
  H      -1.176735     -5.653970      1.475827
  H      -4.782577     -8.221403      4.577154
  H      -3.345210     -7.391907      5.215844
  H      -3.971444     -8.299750      2.380284
  H      -2.427172     -8.397273      3.253429
  H      -2.498347     -4.953180     -0.159222
  H      -4.203793     -4.502369      0.077046
  H      -3.317158     -7.093558      0.398654
  H      -4.684007     -6.428109      1.338979
  C      -2.291158     -2.899218      1.427140
  C      -1.891368     -2.458536      0.142518
  C      -1.334008     -1.202538     -0.006182
  C      -1.197118     -0.329611      1.095289
  C      -1.567068     -0.743725      2.358114
  C      -2.051917     -2.054848      2.550666
  N      -2.473546     -2.559567      3.761063
  C      -2.068978     -2.024990      4.904842
  C      -0.800417     -1.386243      5.229561
  O      -0.618642     -0.635948      6.150908
  Cl      0.628606     -2.008280      4.277959
  C      -5.938319     -5.878065      4.514628
  C      -6.824836     -6.751266      5.189140
  C      -8.115785     -6.339825      5.480133
  C      -8.567154     -5.062286      5.095875
  C      -7.714794     -4.185916      4.429247
  C      -6.384469     -4.570113      4.155398
  N      -5.438208     -3.789193      3.498047
  C      -5.714681     -2.471846      3.358013
  C      -5.278290     -1.696680      2.239039
  O      -4.900999     -2.065395      1.150177
  Cl     -5.439340      0.086507      2.592602
  C      -1.291405     -5.074610      5.623491
  C      -0.030147     -5.357253      6.201445
  C       0.216046     -4.989128      7.509378
  C      -0.770924     -4.322065      8.272623
  C      -2.017685     -4.065829      7.741957
  C      -2.315644     -4.478864      6.423571
  N      -3.518865     -4.287660      5.785887
  C      -4.648789     -3.990530      6.464307
  C      -5.031254     -4.605521      7.705742
  O      -4.509158     -5.494334      8.334917
  Cl     -6.635879     -3.909018      8.265444
  H      -2.060323     -3.079239     -0.734634
  H      -1.045808     -0.861272     -1.000607
  H      -0.827373      0.684320      0.943924
  H      -1.521615     -0.052189      3.198696
  H      -2.720282     -2.121217      5.770558
  H      -6.487505     -7.736555      5.505458
  H      -8.784350     -7.010366      6.020522
  H      -9.588508     -4.753405      5.319473
  H      -8.077542     -3.204228      4.125337
  H      -6.389072     -1.980835      4.062348
  H       0.755065     -5.820611      5.606619
  H       1.196548     -5.178692      7.946348
  H      -0.538037     -3.990597      9.284610
  H      -2.764556     -3.527087      8.322167
  H      -5.395733     -3.378320      5.973157
  N      -6.843272     -6.589924      1.796016
  N      -8.207146     -6.244865      2.049538
  H      -8.783156     -7.008935      2.434748
  H      -8.270185     -5.460841      2.748064
  H      -8.678086     -5.907303      1.198136
76
Coordinates from ORCA-job orca E -7354.126111411146
  N      -2.946450     -4.062152      1.692836
  C      -3.325803     -4.923916      0.573824
  C      -3.629959     -6.314006      1.117077
  N      -2.883467     -6.493008      2.391342
  C      -3.307818     -7.766540      3.065601
  C      -4.041157     -7.439677      4.364413
  N      -4.660943     -6.142162      4.161482
  Mo     -3.425555     -4.637532      3.600510
  N      -1.646673     -5.313886      4.328206
  C      -0.740141     -6.137057      3.523093
  C      -1.408209     -6.437320      2.192517
  H      -0.513291     -7.060977      4.081088
  H       0.215562     -5.616779      3.349080
  H      -1.053087     -7.388288      1.765447
  H      -1.191153     -5.641911      1.474447
  H      -4.783233     -8.218700      4.584780
  H      -3.342402     -7.387718      5.214807
  H      -3.977032     -8.302024      2.379104
  H      -2.427124     -8.396262      3.245866
  H      -2.510635     -4.959423     -0.163441
  H      -4.213688     -4.507534      0.071128
  H      -3.332434     -7.092418      0.398119
  H      -4.701642     -6.423346      1.346331
  C      -2.290041     -2.900204      1.417302
  C      -1.886385     -2.461237      0.130937
  C      -1.315841     -1.209536     -0.017836
  C      -1.169810     -0.339304      1.083462
  C      -1.546217     -0.749685      2.348536
  C      -2.044276     -2.056316      2.540917
  N      -2.473345     -2.557533      3.754031
  C      -2.068859     -2.024141      4.900809
  C      -0.795311     -1.381057      5.225856
  O      -0.610170     -0.628552      6.155816
  Cl      0.645763     -2.032267      4.282443
  C      -5.942205     -5.878352      4.515123
  C      -6.833638     -6.752606      5.184373
  C      -8.124205     -6.337146      5.475353
  C      -8.569537     -5.056169      5.092778
  C      -7.713900     -4.179828      4.428586
  C      -6.384522     -4.566365      4.158395
  N      -5.434722     -3.785492      3.503293
  C      -5.712332     -2.466018      3.371651
  C      -5.274029     -1.671592      2.262769
  O      -4.885881     -2.017718      1.167526
  Cl     -5.459215      0.112879      2.633624
  C      -1.294412     -5.065904      5.619711
  C      -0.030212     -5.344203      6.199964
  C       0.214706     -4.979827      7.510343
  C      -0.777871     -4.322200      8.275014
  C      -2.027357     -4.068849      7.742298
  C      -2.322128     -4.473622      6.418938
  N      -3.530271     -4.286122      5.779654
  C      -4.671701     -4.001494      6.452248
  C      -5.051862     -4.620291      7.695407
  O      -4.511907     -5.504766      8.330608
  Cl     -6.677689     -3.949362      8.247597
  H      -2.062270     -3.078870     -0.746709
  H      -1.023661     -0.869332     -1.013514
  H      -0.789005      0.670786      0.930502
  H      -1.495541     -0.060318      3.191217
  H      -2.723535     -2.116201      5.766356
  H      -6.501796     -7.743668      5.493432
  H      -8.798132     -7.007676      6.010978
  H      -9.589995     -4.743137      5.319083
  H      -8.074548     -3.197331      4.125362
  H      -6.389783     -1.984590      4.078724
  H       0.758989     -5.803087      5.606330
  H       1.197381     -5.167349      7.948581
  H      -0.547776     -3.996693      9.290460
  H      -2.779912     -3.538228      8.323571
  H      -5.425986     -3.393772      5.954963
  N      -6.817338     -6.500905      1.816554
  N      -8.172295     -6.265552      2.085976
  H      -8.712823     -7.090389      2.489018
  H      -8.239835     -5.496019      2.762031
  H      -8.659012     -5.944731      1.236690
76
Coordinates from ORCA-job orca E -7354.127730616209
  N      -2.944011     -4.061466      1.697189
  C      -3.318226     -4.919750      0.576109
  C      -3.619698     -6.311190      1.114761
  N      -2.878082     -6.493144      2.390435
  C      -3.303913     -7.766308      3.064304
  C      -4.044132     -7.440809      4.359179
  N      -4.662885     -6.142981      4.156339
  Mo     -3.424080     -4.638631      3.601345
  N      -1.643573     -5.313674      4.327780
  C      -0.736306     -6.137669      3.524379
  C      -1.402472     -6.439544      2.193035
  H      -0.511024     -7.060956      4.084099
  H       0.220412     -5.619359      3.351420
  H      -1.049308     -7.392139      1.769047
  H      -1.181652     -5.647017      1.473078
  H      -4.786640     -8.221172      4.572509
  H      -3.349940     -7.390498      5.213237
  H      -3.968453     -8.302532      2.374604
  H      -2.424482     -8.395301      3.251367
  H      -2.501028     -4.952446     -0.158836
  H      -4.203972     -4.502433      0.071749
  H      -3.321108     -7.090896      0.394815
  H      -4.688223     -6.429024      1.340005
  C      -2.290537     -2.899411      1.424918
  C      -1.885089     -2.461147      0.140651
  C      -1.320782     -1.207710     -0.007301
  C      -1.182552     -0.335183      1.093743
  C      -1.558593     -0.746587      2.356636
  C      -2.050488     -2.055036      2.548791
  N      -2.477656     -2.557396      3.759272
  C      -2.071828     -2.026490      4.903920
  C      -0.802077     -1.393406      5.227995
  O      -0.616511     -0.648548      6.150075
  Cl      0.621692     -2.020612      4.275588
  C      -5.943638     -5.876564      4.511005
  C      -6.831548     -6.748164      5.186276
  C      -8.120855     -6.332667      5.481096
  C      -8.569320     -5.053011      5.099325
  C      -7.716173     -4.178144      4.431812
  C      -6.387711     -4.565746      4.154800
  N      -5.441006     -3.785557      3.497282
  C      -5.717794     -2.468692      3.360760
  C      -5.275160     -1.684977      2.247840
  O      -4.891772     -2.045108      1.156766
  Cl     -5.443509      0.097255      2.610353
  C      -1.294147     -5.069783      5.618888
  C      -0.032483     -5.349269      6.197698
  C       0.211141     -4.983229      7.506789
  C      -0.779110     -4.321865      8.270644
  C      -2.026481     -4.068175      7.739014
  C      -2.320919     -4.477743      6.418742
  N      -3.525312     -4.290282      5.780518
  C      -4.657506     -3.998110      6.458456
  C      -5.036068     -4.613065      7.700668
  O      -4.511069     -5.501206      8.328786
  Cl     -6.641058     -3.920583      8.264065
  H      -2.053943     -3.080934     -0.737277
  H      -1.027602     -0.868387     -1.001687
  H      -0.807009      0.676647      0.942201
  H      -1.512478     -0.055417      3.197567
  H      -2.722290     -2.121526      5.770404
  H      -6.496621     -7.735678      5.499098
  H      -8.790767     -7.001486      6.021933
  H      -9.588777     -4.740775      5.327910
  H      -8.076128     -3.194610      4.129843
  H      -6.398551     -1.982348      4.063025
  H       0.755679     -5.809178      5.603842
  H       1.191977     -5.171031      7.944381
  H      -0.548722     -3.993309      9.284134
  H      -2.776758     -3.534011      8.319535
  H      -5.406436     -3.387388      5.968177
  N      -6.822680     -6.552414      1.810492
  N      -8.186310     -6.264587      2.073272
  H      -8.739263     -7.051320      2.478006
  H      -8.253233     -5.476497      2.766724
  H      -8.673961     -5.945172      1.215389
76
Coordinates from ORCA-job orca E -7354.126600017339
  N      -2.937460     -4.071723      1.699276
  C      -3.312941     -4.926065      0.577251
  C      -3.619001     -6.315004      1.116555
  N      -2.882778     -6.501154      2.391875
  C      -3.313371     -7.773029      3.066876
  C      -4.043871     -7.446685      4.364169
  N      -4.660129     -6.148100      4.164417
  Mo     -3.420541     -4.646394      3.606732
  N      -1.639598     -5.323146      4.329809
  C      -0.739594     -6.155416      3.525691
  C      -1.407033     -6.456455      2.194978
  H      -0.520542     -7.078908      4.087450
  H       0.221497     -5.645819      3.350195
  H      -1.059298     -7.413139      1.775691
  H      -1.178558     -5.668612      1.472241
  H      -4.785494     -8.225618      4.581188
  H      -3.345375     -7.397496      5.213441
  H      -3.982541     -8.302833      2.381309
  H      -2.439477     -8.406943      3.250876
  H      -2.494657     -4.961726     -0.157727
  H      -4.199351     -4.504276      0.075316
  H      -3.328148     -7.098333      0.395663
  H      -4.686826     -6.427324      1.333731
  C      -2.283592     -2.909994      1.427730
  C      -1.878475     -2.470946      0.142471
  C      -1.319275     -1.216163     -0.007769
  C      -1.186298     -0.340993      1.093402
  C      -1.562587     -0.752481      2.356223
  C      -2.047809     -2.063564      2.550353
  N      -2.478102     -2.563356      3.760875
  C      -2.103170     -2.010792      4.909973
  C      -0.851254     -1.323037      5.257262
  O      -0.714086     -0.543622      6.185270
  Cl      0.635786     -1.924634      4.342541
  C      -5.940391     -5.880996      4.517844
  C      -6.828469     -6.755315      5.189548
  C      -8.119725     -6.343648      5.479125
  C      -8.569934     -5.064830      5.096080
  C      -7.715234     -4.187482      4.432029
  C      -6.384496     -4.572391      4.160102
  N      -5.435468     -3.792191      3.505364
  C      -5.706380     -2.471952      3.366495
  C      -5.269863     -1.699433      2.243270
  O      -4.896255     -2.070813      1.153761
  Cl     -5.416782      0.088661      2.596368
  C      -1.282646     -5.077140      5.619349
  C      -0.018103     -5.357746      6.191930
  C       0.235715     -4.982910      7.496844
  C      -0.746642     -4.310760      8.261303
  C      -1.996399     -4.056544      7.735827
  C      -2.302474     -4.477468      6.421570
  N      -3.510629     -4.291947      5.789043
  C      -4.639703     -3.999824      6.473855
  C      -5.015537     -4.623091      7.715602
  O      -4.479698     -5.507416      8.345303
  Cl     -6.627883     -3.939116      8.281378
  H      -2.045076     -3.094165     -0.733401
  H      -1.026544     -0.876982     -1.002454
  H      -0.815506      0.672334      0.941184
  H      -1.520974     -0.058636      3.195725
  H      -2.773529     -2.113974      5.761866
  H      -6.492695     -7.741573      5.505973
  H      -8.789007     -7.015987      6.017341
  H      -9.591573     -4.755163      5.317163
  H      -8.078221     -3.205150      4.129577
  H      -6.372709     -1.977548      4.075727
  H       0.762545     -5.824742      5.594348
  H       1.218550     -5.170372      7.930024
  H      -0.508002     -3.973708      9.270289
  H      -2.739342     -3.514477      8.317468
  H      -5.392871     -3.390152      5.985795
  N      -6.850792     -6.608195      1.775229
  N      -8.222198     -6.222246      2.028154
  H      -8.819528     -6.974406      2.406150
  H      -8.282352     -5.443219      2.738973
  H      -8.691824     -5.868080      1.172330
76
Coordinates from ORCA-job orca E -7354.127748985869
  N      -2.939896     -4.065444      1.699744
  C      -3.313449     -4.923407      0.578195
  C      -3.618767     -6.312387      1.119534
  N      -2.880509     -6.495669      2.394551
  C      -3.309540     -7.767564      3.069337
  C      -4.043704     -7.440570      4.365489
  N      -4.662014     -6.143164      4.162582
  Mo     -3.422355     -4.640313      3.606113
  N      -1.640405     -5.315708      4.330639
  C      -0.737721     -6.145959      3.528069
  C      -1.404594     -6.447856      2.197240
  H      -0.517608     -7.068974      4.090063
  H       0.222207     -5.634149      3.353629
  H      -1.054665     -7.402937      1.776052
  H      -1.179400     -5.658141      1.475450
  H      -4.785121     -8.220229      4.582970
  H      -3.346134     -7.388887      5.216221
  H      -3.977298     -8.300380      2.382076
  H      -2.433072     -8.399629      3.254600
  H      -2.494482     -4.959422     -0.156374
  H      -4.199520     -4.504119      0.072953
  H      -3.323498     -7.095433      0.400498
  H      -4.688368     -6.424214      1.339701
  C      -2.288616     -2.902240      1.427869
  C      -1.885435     -2.462784      0.143050
  C      -1.325886     -1.207476     -0.006779
  C      -1.190075     -0.333567      1.093656
  C      -1.563733     -0.746075      2.356535
  C      -2.050295     -2.056668      2.550590
  N      -2.475879     -2.559138      3.761830
  C      -2.075965     -2.023170      4.906497
  C      -0.810550     -1.380442      5.232820
  O      -0.633420     -0.626447      6.150719
  Cl      0.623373     -2.007916      4.290803
  C      -5.942960     -5.877566      4.515029
  C      -6.831836     -6.751514      5.186172
  C      -8.123454     -6.339320      5.474182
  C      -8.573125     -5.061422      5.088957
  C      -7.718190     -4.184438      4.425438
  C      -6.387057     -4.568594      4.156354
  N      -5.436714     -3.787476      3.503713
  C      -5.710553     -2.467997      3.366548
  C      -5.273626     -1.689279      2.248831
  O      -4.895148     -2.053600      1.158563
  Cl     -5.432838      0.095978      2.607990
  C      -1.286270     -5.069074      5.620900
  C      -0.022081     -5.347163      6.196767
  C       0.227216     -4.974735      7.503606
  C      -0.759602     -4.308084      8.267481
  C      -2.009372     -4.056492      7.738970
  C      -2.310113     -4.473915      6.422062
  N      -3.518102     -4.290259      5.786847
  C      -4.650874     -4.002408      6.468256
  C      -5.026518     -4.624047      7.710483
  O      -4.488729     -5.506292      8.341764
  Cl     -6.643769     -3.947260      8.271490
  H      -2.053732     -3.084521     -0.733255
  H      -1.035038     -0.867386     -1.001317
  H      -0.818804      0.679875      0.941302
  H      -1.520078     -0.053310      3.196037
  H      -2.729015     -2.120084      5.771753
  H      -6.496700     -7.738237      5.501563
  H      -8.794261     -7.010736      6.011505
  H      -9.595336     -4.752611      5.309071
  H      -8.080428     -3.203594      4.119552
  H      -6.382702     -1.978085      4.073516
  H       0.762726     -5.810549      5.601263
  H       1.210001     -5.160606      7.939004
  H      -0.524619     -3.973499      9.278382
  H      -2.756614     -3.518492      8.319668
  H      -5.406365     -3.396818      5.977749
  N      -6.845168     -6.584201      1.792096
  N      -8.210588     -6.242981      2.046042
  H      -8.789847     -7.018298      2.430819
  H      -8.272442     -5.464672      2.744504
  H      -8.683469     -5.900336      1.188212
76
Coordinates from ORCA-job orca E -7354.127215323116
  N      -2.942788     -4.058908      1.695835
  C      -3.323107     -4.914839      0.574624
  C      -3.624408     -6.308523      1.111542
  N      -2.878585     -6.492519      2.386069
  C      -3.302395     -7.767261      3.057944
  C      -4.046392     -7.443486      4.351300
  N      -4.662605     -6.144380      4.148729
  Mo     -3.423946     -4.640460      3.596170
  N      -1.644853     -5.314639      4.321505
  C      -0.734987     -6.134402      3.515971
  C      -1.403828     -6.438205      2.185837
  H      -0.503740     -7.057266      4.074634
  H       0.218833     -5.610963      3.341204
  H      -1.051600     -7.390786      1.761723
  H      -1.185680     -5.646255      1.464664
  H      -4.791018     -8.223464      4.560439
  H      -3.354422     -7.396275      5.207879
  H      -3.964713     -8.305105      2.364987
  H      -2.421114     -8.395226      3.246790
  H      -2.509730     -4.948070     -0.164088
  H      -4.209862     -4.495445      0.074574
  H      -3.325727     -7.086886      0.391400
  H      -4.691725     -6.423607      1.343091
  C      -2.284122     -2.899886      1.424770
  C      -1.873253     -2.462988      0.142376
  C      -1.305509     -1.211140     -0.002268
  C      -1.168760     -0.338999      1.099830
  C      -1.549168     -0.749391      2.361299
  C      -2.045002     -2.056374      2.550429
  N      -2.479492     -2.556574      3.757663
  C      -2.087702     -2.019717      4.905034
  C      -0.823044     -1.370538      5.242525
  O      -0.653939     -0.621248      6.173246
  Cl      0.621554     -1.986722      4.304710
  C      -5.940909     -5.875449      4.507749
  C      -6.824453     -6.742242      5.192901
  C      -8.110783     -6.323420      5.494641
  C      -8.560696     -5.045486      5.110158
  C      -7.711958     -4.175431      4.433317
  C      -6.386172     -4.565575      4.149015
  N      -5.443332     -3.787544      3.484576
  C      -5.723682     -2.473946      3.345757
  C      -5.274392     -1.690444      2.235827
  O      -4.887300     -2.051043      1.146154
  Cl     -5.450041      0.088026      2.596543
  C      -1.298565     -5.074653      5.612684
  C      -0.038997     -5.356025      6.191537
  C       0.201142     -4.996323      7.501979
  C      -0.790787     -4.339582      8.267321
  C      -2.036213     -4.083244      7.735071
  C      -2.326732     -4.485515      6.412748
  N      -3.527420     -4.294022      5.774030
  C      -4.655463     -3.994048      6.450577
  C      -5.036462     -4.601872      7.691558
  O      -4.531890     -5.499914      8.311412
  Cl     -6.620606     -3.887737      8.261285
  H      -2.039557     -3.081163     -0.737449
  H      -1.008099     -0.872700     -0.995406
  H      -0.790956      0.672007      0.950091
  H      -1.503502     -0.058790      3.203392
  H      -2.748128     -2.116556      5.762136
  H      -6.487260     -7.727201      5.509018
  H      -8.777405     -6.987118      6.043775
  H      -9.577896     -4.730831      5.345273
  H      -8.073133     -3.193088      4.129735
  H      -6.412166     -1.987716      4.041171
  H       0.751065     -5.813000      5.597820
  H       1.180310     -5.186503      7.939746
  H      -0.563359     -4.017085      9.282600
  H      -2.788127     -3.552930      8.317000
  H      -5.395723     -3.376600      5.962578
  N      -6.822172     -6.547938      1.828147
  N      -8.177078     -6.280848      2.098077
  H      -8.715093     -7.067959      2.520896
  H      -8.240696     -5.475236      2.788610
  H      -8.671068     -5.977283      1.248299
76
Coordinates from ORCA-job orca E -7354.127825411979
  N      -2.941961     -4.064709      1.698140
  C      -3.317129     -4.921998      0.576598
  C      -3.620942     -6.312381      1.116255
  N      -2.879275     -6.495636      2.391075
  C      -3.305468     -7.768838      3.065100
  C      -4.046312     -7.443593      4.359215
  N      -4.663654     -6.145235      4.156742
  Mo     -3.423362     -4.641947      3.602875
  N      -1.641825     -5.315743      4.327332
  C      -0.736243     -6.140942      3.523067
  C      -1.403775     -6.444251      2.192662
  H      -0.510451     -7.063646      4.083508
  H       0.220654     -5.623562      3.347945
  H      -1.051982     -7.398307      1.770802
  H      -1.181632     -5.653804      1.470856
  H      -4.789804     -8.223313      4.571268
  H      -3.353018     -7.394462      5.214028
  H      -3.968733     -8.305516      2.375137
  H      -2.426204     -8.397113      3.253347
  H      -2.499978     -4.956115     -0.158669
  H      -4.203131     -4.503178      0.073201
  H      -3.326348     -7.093764      0.396214
  H      -4.689437     -6.425632      1.341558
  C      -2.287622     -2.903075      1.426717
  C      -1.880475     -2.465214      0.142619
  C      -1.317211     -1.211515     -0.005630
  C      -1.182081     -0.337716      1.095135
  C      -1.559839     -0.748568      2.357632
  C      -2.049979     -2.057706      2.550351
  N      -2.479356     -2.559199      3.760450
  C      -2.083346     -2.023126      4.906597
  C      -0.819676     -1.375911      5.238134
  O      -0.648510     -0.622237      6.160210
  Cl      0.620376     -1.995204      4.298110
  C      -5.944216     -5.878278      4.511345
  C      -6.832547     -6.750092      5.186041
  C      -8.122144     -6.334968      5.479912
  C      -8.570434     -5.055329      5.097690
  C      -7.716644     -4.180434      4.430452
  C      -6.387746     -4.567883      4.154637
  N      -5.440072     -3.787908      3.498277
  C      -5.715306     -2.470227      3.360666
  C      -5.273587     -1.689914      2.245296
  O      -4.891984     -2.053341      1.155061
  Cl     -5.436725      0.093794      2.604331
  C      -1.289857     -5.070656      5.617793
  C      -0.026783     -5.348644      6.194304
  C       0.219880     -4.979317      7.502076
  C      -0.768521     -4.315771      8.266301
  C      -2.017247     -4.063731      7.736897
  C      -2.315114     -4.477571      6.418616
  N      -3.521501     -4.293695      5.782386
  C      -4.653457     -4.003372      6.462219
  C      -5.029011     -4.619161      7.705611
  O      -4.497414     -5.503387      8.336097
  Cl     -6.638328     -3.932768      8.268618
  H      -2.047344     -3.086351     -0.734767
  H      -1.022602     -0.872783     -0.999781
  H      -0.807629      0.674454      0.943477
  H      -1.516131     -0.056170      3.197723
  H      -2.739341     -2.121515      5.769016
  H      -6.497751     -7.737477      5.499882
  H      -8.792054     -7.004109      6.020701
  H      -9.590179     -4.743030      5.324927
  H      -8.076649     -3.196667      4.129060
  H      -6.392693     -1.981434      4.063997
  H       0.759712     -5.809804      5.599307
  H       1.201768     -5.165751      7.937978
  H      -0.535742     -3.984185      9.278374
  H      -2.765903     -3.528182      8.317932
  H      -5.405886     -3.395970      5.971556
  N      -6.831978     -6.568438      1.804447
  N      -8.194557     -6.248205      2.065256
  H      -8.760972     -7.021757      2.468914
  H      -8.254327     -5.458658      2.756697
  H      -8.675846     -5.922735      1.206885
76
Coordinates from ORCA-job orca E -7354.127811831377
  N      -2.940132     -4.061282      1.698412
  C      -3.316081     -4.918186      0.576832
  C      -3.618389     -6.309163      1.116457
  N      -2.878123     -6.492690      2.391708
  C      -3.305399     -7.766081      3.064941
  C      -4.042535     -7.441335      4.360045
  N      -4.659977     -6.143362      4.157912
  Mo     -3.421189     -4.639139      3.602537
  N      -1.642884     -5.316400      4.331147
  C      -0.735898     -6.140435      3.526322
  C      -1.402364     -6.442459      2.194555
  H      -0.510172     -7.063779      4.085759
  H       0.220866     -5.622085      3.352965
  H      -1.051293     -7.396494      1.772224
  H      -1.178917     -5.651631      1.473500
  H      -4.784727     -8.221235      4.574214
  H      -3.347015     -7.391657      5.212651
  H      -3.971513     -8.299628      2.376038
  H      -2.427677     -8.396863      3.250689
  H      -2.499029     -4.952134     -0.160228
  H      -4.203896     -4.499010      0.074396
  H      -3.320573     -7.090235      0.396406
  H      -4.687828     -6.424720      1.339295
  C      -2.289538     -2.897901      1.426350
  C      -1.888907     -2.456796      0.141866
  C      -1.329303     -1.201262     -0.006092
  C      -1.190726     -0.329369      1.095786
  C      -1.561620     -0.743816      2.358564
  C      -2.049153     -2.054325      2.550353
  N      -2.472387     -2.559132      3.760714
  C      -2.067786     -2.025887      4.905347
  C      -0.798157     -1.388120      5.230276
  O      -0.614665     -0.639018      6.153064
  Cl      0.631662     -2.015091      4.279292
  C      -5.939962     -5.877182      4.512180
  C      -6.827258     -6.750445      5.185713
  C      -8.117335     -6.336884      5.479623
  C      -8.567471     -5.058225      5.098177
  C      -7.714130     -4.182343      4.429532
  C      -6.384558     -4.567752      4.154503
  N      -5.437832     -3.787967      3.495679
  C      -5.713435     -2.469804      3.355942
  C      -5.277011     -1.693010      2.237164
  O      -4.898891     -2.059475      1.147519
  Cl     -5.440737      0.091252      2.591961
  C      -1.293388     -5.073949      5.622856
  C      -0.031788     -5.355397      6.201739
  C       0.213278     -4.988012      7.510438
  C      -0.775394     -4.323227      8.273537
  C      -2.022517     -4.067720      7.741746
  C      -2.318815     -4.479050      6.422190
  N      -3.522314     -4.287768      5.783085
  C      -4.654192     -3.991470      6.460301
  C      -5.037930     -4.608237      7.701077
  O      -4.515488     -5.498982      8.329331
  Cl     -6.644230     -3.913400      8.260847
  H      -2.058983     -3.076339     -0.735777
  H      -1.040492     -0.859536     -1.000410
  H      -0.819224      0.684241      0.944750
  H      -1.515238     -0.053189      3.199935
  H      -2.719715     -2.121491      5.771050
  H      -6.491594     -7.737461      5.499206
  H      -8.786230     -7.007494      6.019837
  H      -9.587834     -4.748004      5.324795
  H      -8.074654     -3.201368      4.127597
  H      -6.387155     -1.978555      4.060667
  H       0.754919     -5.817295      5.607587
  H       1.194109     -5.176756      7.948175
  H      -0.543778     -3.993032      9.286439
  H      -2.770824     -3.530572      8.321846
  H      -5.400714     -3.377674      5.968832
  N      -6.843182     -6.607334      1.791142
  N      -8.197849     -6.258592      2.068039
  H      -8.773461     -7.020748      2.489692
  H      -8.239596     -5.455597      2.748072
  H      -8.684371     -5.938010      1.213875
76
Coordinates from ORCA-job orca E -7354.127836647790
  N      -2.940899     -4.061883      1.698573
  C      -3.315332     -4.919702      0.577084
  C      -3.619938     -6.309660      1.117154
  N      -2.878916     -6.493556      2.391674
  C      -3.306395     -7.766418      3.065495
  C      -4.043702     -7.440820      4.360636
  N      -4.661555     -6.143029      4.157741
  Mo     -3.421943     -4.639323      3.602984
  N      -1.642051     -5.315919      4.329166
  C      -0.736387     -6.141541      3.524937
  C      -1.403352     -6.443607      2.193771
  H      -0.511794     -7.064734      4.085074
  H       0.221017     -5.624670      3.350954
  H      -1.052336     -7.397704      1.771477
  H      -1.179932     -5.652878      1.472652
  H      -4.786022     -8.220617      4.575309
  H      -3.348345     -7.390411      5.213419
  H      -3.972465     -8.300641      2.376849
  H      -2.428387     -8.396895      3.251502
  H      -2.497198     -4.954650     -0.157879
  H      -4.201086     -4.500574      0.072212
  H      -3.324881     -7.091486      0.397144
  H      -4.688914     -6.422207      1.341755
  C      -2.288632     -2.899322      1.426601
  C      -1.885429     -2.459720      0.142206
  C      -1.323816     -1.205158     -0.005886
  C      -1.186112     -0.332622      1.095521
  C      -1.559985     -0.745344      2.358250
  C      -2.049023     -2.055067      2.550392
  N      -2.474892     -2.558357      3.760639
  C      -2.073766     -2.023866      4.905811
  C      -0.806716     -1.381541      5.233453
  O      -0.628948     -0.629645      6.155651
  Cl      0.627814     -2.006824      4.288659
  C      -5.941916     -5.876640      4.511627
  C      -6.829750     -6.749130      5.185413
  C      -8.119818     -6.334982      5.477955
  C      -8.569036     -5.056307      5.094869
  C      -7.716053     -4.181169      4.427720
  C      -6.386176     -4.567066      4.153841
  N      -5.438393     -3.787052      3.497253
  C      -5.713317     -2.468807      3.359567
  C      -5.274277     -1.689136      2.243268
  O      -4.894514     -2.052753      1.152759
  Cl     -5.437255      0.094685      2.602417
  C      -1.291216     -5.072549      5.620277
  C      -0.029092     -5.353241      6.198049
  C       0.216834     -4.985343      7.506354
  C      -0.771391     -4.320707      8.270036
  C      -2.019130     -4.066035      7.739386
  C      -2.316340     -4.478216      6.420451
  N      -3.521093     -4.289664      5.782768
  C      -4.652827     -3.995681      6.461514
  C      -5.033693     -4.613291      7.702662
  O      -4.508640     -5.502353      8.330648
  Cl     -6.640099     -3.921065      8.265095
  H      -2.054650     -3.079638     -0.735408
  H      -1.032663     -0.864794     -1.000205
  H      -0.812900      0.680182      0.944247
  H      -1.514525     -0.053986      3.199097
  H      -2.727534     -2.119880      5.769769
  H      -6.494428     -7.735913      5.499842
  H      -8.789549     -7.004632      6.018211
  H      -9.589500     -4.745567      5.320349
  H      -8.077114     -3.198418      4.124093
  H      -6.388411     -1.979249      4.064459
  H       0.757345     -5.815274      5.603650
  H       1.198031     -5.173746      7.943223
  H      -0.539052     -3.990200      9.282560
  H      -2.767484     -3.529417      8.319947
  H      -5.401251     -3.383664      5.971136
  N      -6.841351     -6.591699      1.797838
  N      -8.200296     -6.262048      2.066567
  H      -8.767448     -7.030959      2.481326
  H      -8.254300     -5.465883      2.749969
  H      -8.687993     -5.942898      1.209208
76
Coordinates from ORCA-job orca E -7354.127834403201
  N      -2.941097     -4.065103      1.698991
  C      -3.315753     -4.921954      0.576925
  C      -3.621907     -6.311837      1.116151
  N      -2.880560     -6.496306      2.391132
  C      -3.307828     -7.769535      3.064502
  C      -4.048078     -7.444236      4.358767
  N      -4.664622     -6.145370      4.156677
  Mo     -3.423501     -4.642748      3.603588
  N      -1.641892     -5.316476      4.327526
  C      -0.737283     -6.142882      3.523384
  C      -1.404982     -6.446107      2.193098
  H      -0.512220     -7.065522      4.084224
  H       0.220094     -5.626543      3.347831
  H      -1.053806     -7.400667      1.771830
  H      -1.181847     -5.656228      1.470965
  H      -4.792036     -8.223523      4.570525
  H      -3.354846     -7.395731      5.213576
  H      -3.971691     -8.304980      2.374423
  H      -2.429310     -8.398733      3.252256
  H      -2.497752     -4.956925     -0.157213
  H      -4.200558     -4.501947      0.072617
  H      -3.329048     -7.093494      0.395953
  H      -4.690545     -6.423329      1.341450
  C      -2.287046     -2.903161      1.427995
  C      -1.879235     -2.465165      0.143978
  C      -1.316412     -1.211298     -0.004250
  C      -1.182397     -0.337271      1.096460
  C      -1.560947     -0.748106      2.358824
  C      -2.050407     -2.057521      2.551613
  N      -2.479978     -2.558976      3.761818
  C      -2.084249     -2.023062      4.907962
  C      -0.821692     -1.373599      5.239413
  O      -0.652615     -0.618644      6.160668
  Cl      0.619498     -1.992063      4.301331
  C      -5.945244     -5.877870      4.510930
  C      -6.834398     -6.749991      5.184169
  C      -8.124107     -6.334653      5.477656
  C      -8.571503     -5.054577      5.096528
  C      -7.717377     -4.179688      4.429884
  C      -6.388098     -4.567130      4.154709
  N      -5.440236     -3.787584      3.498457
  C      -5.714984     -2.469879      3.360233
  C      -5.273121     -1.690210      2.244198
  O      -4.891830     -2.054401      1.154002
  Cl     -5.434937      0.093879      2.602467
  C      -1.288677     -5.070102      5.617501
  C      -0.025094     -5.347155      6.193260
  C       0.222463     -4.976311      7.500495
  C      -0.765546     -4.312284      8.264744
  C      -2.014832     -4.061260      7.736085
  C      -2.313542     -4.476604      6.418460
  N      -3.520684     -4.294600      5.782936
  C      -4.652773     -4.005979      6.463751
  C      -5.026239     -4.622848      7.707296
  O      -4.490970     -5.505282      8.338076
  Cl     -6.637971     -3.940482      8.271157
  H      -2.045238     -3.086563     -0.733356
  H      -1.021274     -0.872622     -0.998374
  H      -0.808342      0.675025      0.944886
  H      -1.518301     -0.055333      3.198691
  H      -2.739719     -2.123055      5.770834
  H      -6.500344     -7.737906      5.497216
  H      -8.794588     -7.004257      6.017381
  H      -9.591385     -4.742280      5.322928
  H      -8.077361     -3.195750      4.128608
  H      -6.391975     -1.980609      4.063638
  H       0.760910     -5.808843      5.598058
  H       1.204729     -5.161956      7.935895
  H      -0.532094     -3.979528      9.276293
  H      -2.763258     -3.525469      8.317204
  H      -5.407022     -3.400090      5.973507
  N      -6.834938     -6.581183      1.798054
  N      -8.193080     -6.248229      2.065268
  H      -8.762191     -7.010311      2.487584
  H      -8.243820     -5.445863      2.743393
  H      -8.677052     -5.935700      1.205096
76
Coordinates from ORCA-job orca E -7354.127844982768
  N      -2.940840     -4.063076      1.698845
  C      -3.315635     -4.920218      0.577046
  C      -3.621263     -6.310110      1.116751
  N      -2.879470     -6.494454      2.391258
  C      -3.306410     -7.767764      3.064714
  C      -4.046583     -7.442585      4.358879
  N      -4.663503     -6.144086      4.156341
  Mo     -3.422638     -4.640863      3.603142
  N      -1.642011     -5.316051      4.328385
  C      -0.736415     -6.141110      3.523777
  C      -1.403938     -6.444029      2.193103
  H      -0.510552     -7.063978      4.084009
  H       0.220497     -5.623559      3.348813
  H      -1.052670     -7.398335      1.771418
  H      -1.180883     -5.653776      1.471325
  H      -4.790053     -8.222108      4.571229
  H      -3.352999     -7.393459      5.213376
  H      -3.970320     -8.303424      2.374678
  H      -2.427643     -8.396838      3.252551
  H      -2.497505     -4.955410     -0.157546
  H      -4.200902     -4.500386      0.072487
  H      -3.327807     -7.091954      0.396575
  H      -4.689873     -6.422010      1.342719
  C      -2.287715     -2.900792      1.427395
  C      -1.882456     -2.461792      0.143171
  C      -1.320265     -1.207508     -0.004875
  C      -1.184131     -0.334404      1.096338
  C      -1.560044     -0.746433      2.358904
  C      -2.049345     -2.056054      2.551216
  N      -2.476784     -2.558724      3.761442
  C      -2.077831     -2.023963      4.907208
  C      -0.812610     -1.378622      5.236588
  O      -0.638491     -0.625965      6.158868
  Cl      0.624700     -1.999896      4.293737
  C      -5.943948     -5.876843      4.510571
  C      -6.832818     -6.749039      5.183809
  C      -8.122563     -6.333781      5.477055
  C      -8.570498     -5.053997      5.095432
  C      -7.716290     -4.179041      4.428690
  C      -6.387051     -4.566355      4.153975
  N      -5.439192     -3.787065      3.497280
  C      -5.713739     -2.468999      3.358993
  C      -5.273765     -1.690160      2.242154
  O      -4.893626     -2.054793      1.151997
  Cl     -5.436361      0.093963      2.599595
  C      -1.290213     -5.071546      5.619037
  C      -0.027317     -5.350239      6.195886
  C       0.219154     -4.981212      7.503805
  C      -0.769322     -4.317460      8.267848
  C      -2.017852     -4.064730      7.738078
  C      -2.315468     -4.477995      6.419573
  N      -3.521222     -4.292386      5.782661
  C      -4.653264     -4.000828      6.462111
  C      -5.030830     -4.617920      7.704370
  O      -4.501517     -5.504224      8.333533
  Cl     -6.639330     -3.929821      8.267375
  H      -2.050321     -3.082318     -0.734378
  H      -1.027363     -0.867770     -0.999101
  H      -0.810510      0.678211      0.945016
  H      -1.515764     -0.054514      3.199400
  H      -2.732366     -2.122046      5.770856
  H      -6.498576     -7.736694      5.497165
  H      -8.792899     -7.003351      6.016809
  H      -9.590591     -4.742237      5.321510
  H      -8.076215     -3.196097      4.126347
  H      -6.389359     -1.979040      4.063171
  H       0.759144     -5.811661      5.601033
  H       1.200912     -5.168081      7.940012
  H      -0.536705     -3.986134      9.280050
  H      -2.766473     -3.528928      8.319028
  H      -5.404195     -3.391432      5.971731
  N      -6.839387     -6.593647      1.798190
  N      -8.196227     -6.258206      2.069389
  H      -8.764573     -7.021489      2.491609
  H      -8.245049     -5.457169      2.747963
  H      -8.684652     -5.943764      1.211293
76
Coordinates from ORCA-job orca E -7354.127848313048
  N      -2.940049     -4.062900      1.698923
  C      -3.313036     -4.920816      0.576829
  C      -3.621343     -6.309654      1.117346
  N      -2.879352     -6.494586      2.391723
  C      -3.307303     -7.767551      3.065083
  C      -4.045698     -7.441656      4.359598
  N      -4.662766     -6.143374      4.156279
  Mo     -3.421932     -4.640247      3.603389
  N      -1.641509     -5.316603      4.329161
  C      -0.736580     -6.142902      3.524989
  C      -1.403814     -6.445171      2.194020
  H      -0.512126     -7.065889      4.085536
  H       0.221048     -5.626639      3.350312
  H      -1.052965     -7.399571      1.772289
  H      -1.179752     -5.654886      1.472667
  H      -4.788654     -8.221047      4.573419
  H      -3.351345     -7.391614      5.213195
  H      -3.972825     -8.301574      2.375879
  H      -2.429563     -8.398070      3.251718
  H      -2.492842     -4.957540     -0.155744
  H      -4.196800     -4.500741      0.069330
  H      -3.330174     -7.092865      0.397440
  H      -4.690240     -6.419479      1.344601
  C      -2.288160     -2.900004      1.427299
  C      -1.884645     -2.460256      0.142953
  C      -1.324022     -1.205208     -0.005197
  C      -1.187438     -0.332357      1.096130
  C      -1.561444     -0.745278      2.358815
  C      -2.049484     -2.055400      2.551067
  N      -2.475663     -2.558838      3.761370
  C      -2.076050     -2.023901      4.906773
  C      -0.810800     -1.378092      5.235186
  O      -0.636405     -0.624491      6.156653
  Cl      0.626146     -2.001172      4.293139
  C      -5.943170     -5.876237      4.509920
  C      -6.832072     -6.748562      5.182573
  C      -8.121880     -6.333301      5.474841
  C      -8.569386     -5.053680      5.092632
  C      -7.716075     -4.178983      4.426627
  C      -6.386208     -4.565954      4.152842
  N      -5.437559     -3.786476      3.497395
  C      -5.711511     -2.467900      3.360079
  C      -5.272373     -1.688781      2.243240
  O      -4.893275     -2.053010      1.152734
  Cl     -5.433936      0.095342      2.601893
  C      -1.289798     -5.072315      5.619869
  C      -0.026979     -5.351424      6.196923
  C       0.219543     -4.982293      7.504826
  C      -0.768803     -4.318123      8.268759
  C      -2.017250     -4.065168      7.738849
  C      -2.314939     -4.478567      6.420395
  N      -3.520443     -4.292144      5.783368
  C      -4.652253     -4.000080      6.463026
  C      -5.030879     -4.618462      7.704475
  O      -4.503190     -5.506195      8.332394
  Cl     -6.638615     -3.929548      8.267916
  H      -2.053094     -3.080463     -0.734615
  H      -1.032864     -0.864710     -0.999504
  H      -0.815060      0.680799      0.944868
  H      -1.516942     -0.053525      3.199398
  H      -2.729938     -2.121465      5.770434
  H      -6.497903     -7.735971      5.496450
  H      -8.792529     -7.002650      6.014365
  H      -9.589658     -4.742010      5.317823
  H      -8.077010     -3.195076      4.123233
  H      -6.385983     -1.977902      4.065237
  H       0.759443     -5.813158      5.602265
  H       1.201296     -5.169350      7.941090
  H      -0.536020     -3.986601      9.280874
  H      -2.765847     -3.528992      8.319522
  H      -5.402509     -3.389711      5.973197
  N      -6.842764     -6.598871      1.798887
  N      -8.199945     -6.261466      2.068102
  H      -8.768214     -7.022038      2.498316
  H      -8.249365     -5.454161      2.739058
  H      -8.689051     -5.955019      1.208041
76
Coordinates from ORCA-job orca E -7354.127859696968
  N      -2.939802     -4.061805      1.699229
  C      -3.312730     -4.919526      0.577204
  C      -3.622487     -6.307860      1.117966
  N      -2.879525     -6.493667      2.391616
  C      -3.307481     -7.766769      3.064741
  C      -4.047314     -7.441117      4.358492
  N      -4.663724     -6.142558      4.155037
  Mo     -3.421971     -4.639722      3.603195
  N      -1.641597     -5.316194      4.328672
  C      -0.736253     -6.141593      3.524000
  C      -1.404043     -6.444542      2.193358
  H      -0.510416     -7.064339      4.084431
  H       0.220712     -5.624201      3.348783
  H      -1.053545     -7.399242      1.772038
  H      -1.180028     -5.654761      1.471458
  H      -4.790815     -8.220312      4.571159
  H      -3.353796     -7.391651      5.212812
  H      -3.971977     -8.301355      2.374899
  H      -2.429526     -8.396743      3.252498
  H      -2.492054     -4.957268     -0.154775
  H      -4.195562     -4.498808      0.068716
  H      -3.333035     -7.091597      0.397961
  H      -4.691085     -6.415944      1.346955
  C      -2.287622     -2.899069      1.427656
  C      -1.884093     -2.459293      0.143349
  C      -1.323141     -1.204378     -0.004646
  C      -1.186199     -0.331767      1.096820
  C      -1.560236     -0.744773      2.359497
  C      -2.048672     -2.054743      2.551533
  N      -2.474960     -2.558213      3.761747
  C      -2.074816     -2.023877      4.907227
  C      -0.809094     -1.378932      5.235674
  O      -0.634109     -0.626310      6.157883
  Cl      0.627170     -2.001632      4.292584
  C      -5.943995     -5.874904      4.508885
  C      -6.833200     -6.747067      5.181340
  C      -8.122987     -6.331474      5.473608
  C      -8.570520     -5.051873      5.091376
  C      -7.716224     -4.177175      4.425318
  C      -6.386522     -4.564406      4.152047
  N      -5.437624     -3.785348      3.496496
  C      -5.711028     -2.466673      3.358947
  C      -5.271722     -1.687956      2.241721
  O      -4.893079     -2.052678      1.151119
  Cl     -5.432589      0.096276      2.599941
  C      -1.290042     -5.072379      5.619508
  C      -0.027268     -5.351480      6.196559
  C       0.218907     -4.983025      7.504699
  C      -0.769717     -4.319516      8.268824
  C      -2.018082     -4.066374      7.738815
  C      -2.315377     -4.479029      6.420095
  N      -3.520686     -4.292173      5.782772
  C      -4.652569     -4.000001      6.462352
  C      -5.031672     -4.619166      7.703194
  O      -4.504496     -5.507548      8.330544
  Cl     -6.639375     -3.930097      8.266762
  H      -2.052714     -3.079254     -0.734367
  H      -1.031975     -0.863820     -0.998944
  H      -0.813508      0.681261      0.945695
  H      -1.515427     -0.053268      3.200264
  H      -2.728569     -2.121291      5.770950
  H      -6.499319     -7.734533      5.495107
  H      -8.793757     -7.000735      6.013022
  H      -9.590906     -4.740441      5.316314
  H      -8.076279     -3.194465      4.121417
  H      -6.385336     -1.976219      4.064029
  H       0.759407     -5.812735      5.601851
  H       1.200588     -5.170151      7.941026
  H      -0.537229     -3.988619      9.281184
  H      -2.766878     -3.530644      8.319642
  H      -5.402417     -3.388941      5.972826
  N      -6.844733     -6.611894      1.797791
  N      -8.198623     -6.269247      2.073904
  H      -8.765213     -7.025824      2.512377
  H      -8.242145     -5.458374      2.740730
  H      -8.693860     -5.966751      1.215281
76
Coordinates from ORCA-job orca E -7354.127875863366
  N      -2.938895     -4.061694      1.700257
  C      -3.311193     -4.918996      0.577890
  C      -3.626610     -6.305411      1.119523
  N      -2.880451     -6.493714      2.391498
  C      -3.308602     -7.767154      3.063738
  C      -4.053944     -7.441660      4.354757
  N      -4.667814     -6.141873      4.150542
  Mo     -3.422441     -4.640339      3.603492
  N      -1.640892     -5.316045      4.327148
  C      -0.735819     -6.140709      3.521598
  C      -1.405176     -6.445334      2.191965
  H      -0.507665     -7.062756      4.082393
  H       0.220280     -5.622157      3.344349
  H      -1.055317     -7.400808      1.771832
  H      -1.181130     -5.656832      1.468696
  H      -4.799658     -8.219973      4.563519
  H      -3.363897     -7.393999      5.212244
  H      -3.969375     -8.303824      2.371304
  H      -2.429881     -8.395228      3.255508
  H      -2.488394     -4.960214     -0.151418
  H      -4.191055     -4.496177      0.066244
  H      -3.344197     -7.091386      0.399385
  H      -4.694423     -6.408193      1.355194
  C      -2.285589     -2.899373      1.429538
  C      -1.880491     -2.460043      0.145452
  C      -1.319190     -1.205254     -0.002456
  C      -1.183483     -0.332228      1.098901
  C      -1.558977     -0.744856      2.361413
  C      -2.047487     -2.054805      2.553502
  N      -2.475314     -2.557818      3.763597
  C      -2.078085     -2.023625      4.909913
  C      -0.814676     -1.374565      5.241024
  O      -0.644783     -0.621629      6.163846
  Cl      0.625619     -1.991951      4.301117
  C      -5.948034     -5.872401      4.504186
  C      -6.839647     -6.744180      5.174176
  C      -8.128855     -6.326229      5.466812
  C      -8.573711     -5.044664      5.087198
  C      -7.716549     -4.170390      4.422689
  C      -6.387585     -4.560073      4.149689
  N      -5.437225     -3.782544      3.495555
  C      -5.708218     -2.463276      3.358039
  C      -5.268691     -1.686422      2.239752
  O      -4.891216     -2.052892      1.149568
  Cl     -5.427447      0.098223      2.595929
  C      -1.287954     -5.071225      5.617458
  C      -0.024064     -5.347690      6.193194
  C       0.222620     -4.978490      7.501108
  C      -0.766647     -4.317008      8.266071
  C      -2.016098     -4.066301      7.737200
  C      -2.313561     -4.479438      6.418731
  N      -3.520012     -4.295958      5.782114
  C      -4.652091     -4.006774      6.463137
  C      -5.027535     -4.627173      7.704233
  O      -4.497311     -5.514392      8.330668
  Cl     -6.636012     -3.942031      8.270422
  H      -2.048222     -3.080353     -0.732280
  H      -1.026930     -0.865057     -0.996673
  H      -0.810651      0.680760      0.947819
  H      -1.515250     -0.052903      3.201917
  H      -2.733115     -2.124131      5.773204
  H      -6.508315     -7.733337      5.485737
  H      -8.801249     -6.995259      6.004606
  H      -9.593594     -4.731712      5.312499
  H      -8.073805     -3.187477      4.120615
  H      -6.381404     -1.971282      4.063092
  H       0.762927     -5.807623      5.597821
  H       1.205084     -5.163656      7.936544
  H      -0.534009     -3.985802      9.278305
  H      -2.765567     -3.532336      8.318833
  H      -5.404441     -3.397636      5.974791
  N      -6.847885     -6.638459      1.798324
  N      -8.195248     -6.281167      2.084965
  H      -8.759066     -7.023175      2.549619
  H      -8.225606     -5.455574      2.733456
  H      -8.701399     -5.996446      1.226158
76
Coordinates from ORCA-job orca E -7354.127885445121
  N      -2.938517     -4.062659      1.701016
  C      -3.309619     -4.920214      0.578383
  C      -3.629267     -6.305117      1.120774
  N      -2.881544     -6.494909      2.392039
  C      -3.310372     -7.768009      3.064254
  C      -4.057192     -7.441880      4.354252
  N      -4.669942     -6.141586      4.149275
  Mo     -3.422992     -4.641219      3.604291
  N      -1.640102     -5.316121      4.325917
  C      -0.736121     -6.142081      3.520560
  C      -1.406418     -6.447595      2.191687
  H      -0.508135     -7.063624      4.082225
  H       0.220215     -5.624442      3.342029
  H      -1.057345     -7.403693      1.772318
  H      -1.182070     -5.659998      1.467585
  H      -4.803798     -8.219606      4.561818
  H      -3.368406     -7.394676      5.212703
  H      -3.970222     -8.304976      2.371361
  H      -2.431972     -8.395925      3.257420
  H      -2.484864     -4.963822     -0.148426
  H      -4.186886     -4.496333      0.063520
  H      -3.351597     -7.092675      0.400697
  H      -4.696864     -6.403928      1.359386
  C      -2.284337     -2.900766      1.430718
  C      -1.877583     -2.462205      0.146771
  C      -1.316278     -1.207490     -0.001314
  C      -1.182159     -0.333750      1.099673
  C      -1.559117     -0.745650      2.362091
  C      -2.047408     -2.055544      2.554529
  N      -2.476984     -2.557582      3.764531
  C      -2.082917     -2.022289      4.911114
  C      -0.822076     -1.368981      5.244258
  O      -0.657131     -0.613507      6.165965
  Cl      0.621902     -1.984659      4.309887
  C      -5.950257     -5.871333      4.502576
  C      -6.842898     -6.742735      5.171673
  C      -8.132011     -6.323784      5.463475
  C      -8.575180     -5.041790      5.083659
  C      -7.717820     -4.168144      4.420523
  C      -6.388467     -4.558457      4.148596
  N      -5.436778     -3.781229      3.496307
  C      -5.706595     -2.461604      3.359954
  C      -5.265563     -1.683718      2.242452
  O      -4.888116     -2.049258      1.151500
  Cl     -5.422279      0.100950      2.600731
  C      -1.285558     -5.069719      5.615557
  C      -0.020711     -5.344149      6.189896
  C       0.226998     -4.973713      7.497297
  C      -0.762161     -4.313042      8.262993
  C      -2.012589     -4.064340      7.735457
  C      -2.310930     -4.478799      6.417661
  N      -3.518803     -4.298672      5.782526
  C      -4.650800     -4.012741      6.465386
  C      -5.022499     -4.634939      7.706637
  O      -4.487849     -5.520209      8.332502
  Cl     -6.633223     -3.955427      8.275128
  H      -2.044032     -3.083090     -0.730827
  H      -1.022833     -0.867902     -0.995478
  H      -0.809481      0.679204      0.948372
  H      -1.516733     -0.052995      3.202107
  H      -2.738880     -2.123705      5.773016
  H      -6.512556     -7.732180      5.483075
  H      -8.805479     -6.992202      6.000688
  H      -9.595057     -4.728053      5.307892
  H      -8.075187     -3.184063      4.117563
  H      -6.379961     -1.970082      4.065320
  H       0.766150     -5.803579      5.593971
  H       1.210178     -5.157347      7.931683
  H      -0.528765     -3.981015      9.274759
  H      -2.762289     -3.531207      8.317563
  H      -5.405989     -3.406005      5.978319
  N      -6.848669     -6.644105      1.800348
  N      -8.195505     -6.283416      2.084131
  H      -8.758304     -7.019382      2.559756
  H      -8.223527     -5.450448      2.723294
  H      -8.703460     -6.008641      1.223440
76
Coordinates from ORCA-job orca E -7354.127887835385
  N      -2.938232     -4.063615      1.701000
  C      -3.308716     -4.921272      0.578139
  C      -3.629859     -6.305462      1.120925
  N      -2.882042     -6.495930      2.392076
  C      -3.311660     -7.768727      3.064230
  C      -4.058707     -7.442287      4.353933
  N      -4.670932     -6.141721      4.148885
  Mo     -3.423320     -4.641992      3.604534
  N      -1.639744     -5.316380      4.325251
  C      -0.736598     -6.143729      3.520450
  C      -1.406935     -6.449288      2.191728
  H      -0.509856     -7.065116      4.082740
  H       0.220363     -5.627499      3.341733
  H      -1.058207     -7.405603      1.772549
  H      -1.182237     -5.661935      1.467502
  H      -4.805620     -8.219710      4.561171
  H      -3.370296     -7.395358      5.212615
  H      -3.971544     -8.305283      2.371367
  H      -2.433800     -8.397005      3.257604
  H      -2.483206     -4.965684     -0.147625
  H      -4.185040     -4.497164      0.062095
  H      -3.354135     -7.093759      0.400966
  H      -4.697404     -6.402694      1.360178
  C      -2.283827     -2.901796      1.431135
  C      -1.876140     -2.463559      0.147326
  C      -1.315288     -1.208691     -0.000910
  C      -1.182491     -0.334438      1.099771
  C      -1.560242     -0.746002      2.362062
  C      -2.047949     -2.056053      2.554799
  N      -2.478360     -2.557678      3.764753
  C      -2.086614     -2.021527      4.911518
  C      -0.827649     -1.365016      5.245877
  O      -0.666077     -0.607657      6.166512
  Cl      0.619131     -1.979377      4.315254
  C      -5.951314     -5.871035      4.502204
  C      -6.844361     -6.742143      5.171037
  C      -8.133261     -6.322624      5.463228
  C      -8.575783     -5.040337      5.083954
  C      -7.718091     -4.167133      4.420621
  C      -6.388875     -4.557922      4.148662
  N      -5.436652     -3.780864      3.496888
  C      -5.706005     -2.461073      3.360758
  C      -5.264700     -1.683172      2.243432
  O      -4.887204     -2.048706      1.152565
  Cl     -5.420667      0.101569      2.601979
  C      -1.284437     -5.069128      5.614598
  C      -0.019225     -5.342814      6.188367
  C       0.229037     -4.971664      7.495506
  C      -0.759933     -4.311057      8.261438
  C      -2.010766     -4.063177      7.734462
  C      -2.309593     -4.478425      6.417016
  N      -3.518185     -4.299988      5.782665
  C      -4.650069     -4.015776      6.466565
  C      -5.019789     -4.638916      7.707965
  O      -4.483183     -5.523422      8.333289
  Cl     -6.630728     -3.961434      8.278432
  H      -2.041590     -3.084984     -0.730038
  H      -1.021174     -0.869391     -0.994976
  H      -0.810275      0.678642      0.948281
  H      -1.518896     -0.052881      3.201671
  H      -2.743133     -2.124370      5.772883
  H      -6.514518     -7.731885      5.482031
  H      -8.806898     -6.990850      6.000446
  H      -9.595387     -4.725962      5.308490
  H      -8.074859     -3.182374      4.118528
  H      -6.379224     -1.969629      4.066279
  H       0.767413     -5.802272      5.592187
  H       1.212497     -5.154716      7.929483
  H      -0.526132     -3.978534      9.272969
  H      -2.760481     -3.530258      8.316750
  H      -5.406711     -3.410304      5.980177
  N      -6.846719     -6.646788      1.799870
  N      -8.193138     -6.281408      2.082169
  H      -8.757958     -7.013828      2.561547
  H      -8.218617     -5.445503      2.717598
  H      -8.699769     -6.009035      1.220672
76
Coordinates from ORCA-job orca E -7354.127890923591
  N      -2.938273     -4.063603      1.701078
  C      -3.308647     -4.921227      0.578057
  C      -3.630448     -6.305060      1.121139
  N      -2.882647     -6.496121      2.392064
  C      -3.312912     -7.768693      3.064055
  C      -4.059842     -7.442162      4.353684
  N      -4.671583     -6.141387      4.148803
  Mo     -3.423670     -4.641942      3.604758
  N      -1.639801     -5.316481      4.324864
  C      -0.737305     -6.145014      3.520508
  C      -1.407601     -6.450050      2.191694
  H      -0.512005     -7.066549      4.083128
  H       0.220398     -5.630125      3.342042
  H      -1.059203     -7.406345      1.772197
  H      -1.182624     -5.662518      1.467736
  H      -4.807017     -8.219383      4.560879
  H      -3.371463     -7.395542      5.212466
  H      -3.973081     -8.304917      2.371097
  H      -2.435312     -8.397396      3.257407
  H      -2.482860     -4.965991     -0.147436
  H      -4.184723     -4.496979      0.061606
  H      -3.355730     -7.093794      0.401230
  H      -4.697925     -6.400891      1.360795
  C      -2.283467     -2.902002      1.431596
  C      -1.875265     -2.463953      0.147897
  C      -1.314319     -1.209172     -0.000321
  C      -1.181977     -0.334741      1.100263
  C      -1.560146     -0.746106      2.362426
  C      -2.047842     -2.056150      2.555233
  N      -2.478671     -2.557510      3.765089
  C      -2.088013     -2.020986      4.911886
  C      -0.829790     -1.363150      5.246747
  O      -0.669478     -0.604505      6.166454
  Cl      0.618161     -1.977791      4.318113
  C      -5.952023     -5.870620      4.501957
  C      -6.845391     -6.741759      5.170203
  C      -8.134286     -6.322135      5.462343
  C      -8.576492     -5.039607      5.083637
  C      -7.718355     -4.166390      4.420510
  C      -6.389289     -4.557363      4.148842
  N      -5.436716     -3.780333      3.497365
  C      -5.705685     -2.460380      3.361287
  C      -5.264478     -1.682759      2.244052
  O      -4.886973     -2.048294      1.153303
  Cl     -5.420476      0.101958      2.602495
  C      -1.283953     -5.068712      5.614013
  C      -0.018578     -5.342365      6.187416
  C       0.230233     -4.970804      7.494370
  C      -0.758380     -4.309835      8.260430
  C      -2.009396     -4.062037      7.733804
  C      -2.308737     -4.477720      6.416593
  N      -3.517733     -4.299988      5.782738
  C      -4.649422     -4.016497      6.467325
  C      -5.017980     -4.639975      7.708857
  O      -4.480166     -5.524167      8.333870
  Cl     -6.629550     -3.963924      8.279990
  H      -2.040438     -3.085622     -0.729333
  H      -1.019818     -0.870034     -0.994288
  H      -0.809792      0.678338      0.948720
  H      -1.519191     -0.052807      3.201890
  H      -2.744818     -2.124305      5.772949
  H      -6.515918     -7.731835      5.480660
  H      -8.808123     -6.990568      5.999158
  H      -9.595983     -4.724993      5.308190
  H      -8.074587     -3.181127      4.119226
  H      -6.378385     -1.968752      4.067081
  H       0.767741     -5.802127      5.591050
  H       1.213836     -5.153805      7.928079
  H      -0.524212     -3.977035      9.271807
  H      -2.758862     -3.528964      8.316263
  H      -5.406875     -3.411623      5.981217
  N      -6.845558     -6.651330      1.799487
  N      -8.191626     -6.283442      2.081315
  H      -8.757158     -7.014693      2.561946
  H      -8.216176     -5.445925      2.715187
  H      -8.697737     -6.011981      1.219550
76
Coordinates from ORCA-job orca E -7354.127894067512
  N      -2.938234     -4.063129      1.701054
  C      -3.308187     -4.920909      0.577863
  C      -3.632128     -6.303747      1.121719
  N      -2.883767     -6.496213      2.391820
  C      -3.315362     -7.768346      3.063418
  C      -4.061491     -7.441528      4.353230
  N      -4.672494     -6.140351      4.148686
  Mo     -3.424121     -4.641460      3.605018
  N      -1.639775     -5.316574      4.323914
  C      -0.738745     -6.147660      3.520537
  C      -1.408845     -6.451158      2.191438
  H      -0.516810     -7.069664      4.083670
  H       0.220631     -5.635773      3.342856
  H      -1.060988     -7.407243      1.771005
  H      -1.183307     -5.662981      1.468355
  H      -4.809061     -8.218321      4.560594
  H      -3.372967     -7.395369      5.211915
  H      -3.976546     -8.303535      2.370601
  H      -2.438450     -8.398177      3.256142
  H      -2.481469     -4.966772     -0.146563
  H      -4.183108     -4.496152      0.059866
  H      -3.360582     -7.093396      0.401589
  H      -4.699489     -6.396566      1.363355
  C      -2.282707     -2.901940      1.432172
  C      -1.873346     -2.464349      0.148680
  C      -1.312239     -1.209691      0.000580
  C      -1.181085     -0.334842      1.100971
  C      -1.560289     -0.745731      2.362925
  C      -2.047779     -2.055807      2.555799
  N      -2.479406     -2.556879      3.765443
  C      -2.090900     -2.019629      4.912385
  C      -0.834347     -1.358714      5.248173
  O      -0.676938     -0.597382      6.165994
  Cl      0.616106     -1.973682      4.323791
  C      -5.952881     -5.869402      4.501639
  C      -6.846677     -6.740541      5.168938
  C      -8.135648     -6.320846      5.460658
  C      -8.577589     -5.038300      5.082307
  C      -7.718931     -4.165058      4.419624
  C      -6.389764     -4.555974      4.148972
  N      -5.436666     -3.779190      3.497905
  C      -5.705022     -2.458961      3.361889
  C      -5.263736     -1.681440      2.244878
  O      -4.885962     -2.046641      1.154014
  Cl     -5.419593      0.103348      2.603612
  C      -1.283143     -5.068397      5.612844
  C      -0.017735     -5.342625      6.185782
  C       0.231839     -4.970934      7.492576
  C      -0.756079     -4.309328      8.258921
  C      -2.007210     -4.061096      7.732761
  C      -2.307268     -4.476962      6.415771
  N      -3.516785     -4.299846      5.782774
  C      -4.648148     -4.017394      6.468335
  C      -5.015197     -4.641593      7.709889
  O      -4.476539     -5.526033      8.333714
  Cl     -6.626140     -3.966343      8.283121
  H      -2.037746     -3.086543     -0.728337
  H      -1.016773     -0.870896     -0.993182
  H      -0.808964      0.678235      0.949353
  H      -1.520292     -0.051980      3.202064
  H      -2.748209     -2.124199      5.772901
  H      -6.517671     -7.730948      5.478745
  H      -8.809807     -6.989511      5.996809
  H      -9.597184     -4.723735      5.306298
  H      -8.074611     -3.179721      4.118598
  H      -6.376926     -1.967306      4.068374
  H       0.768030     -5.803028      5.589187
  H       1.215508     -5.154408      7.925921
  H      -0.521368     -3.976550      9.270182
  H      -2.756310     -3.527798      8.315504
  H      -5.406380     -3.413015      5.982884
  N      -6.843632     -6.663336      1.799231
  N      -8.188090     -6.288773      2.081956
  H      -8.754554     -7.014843      2.569779
  H      -8.208925     -5.446297      2.709216
  H      -8.695589     -6.022695      1.219389
76
Coordinates from ORCA-job orca E -7354.127895835124
  N      -2.938507     -4.062577      1.700889
  C      -3.308718     -4.920272      0.577620
  C      -3.632954     -6.302958      1.121792
  N      -2.884092     -6.495661      2.391578
  C      -3.315550     -7.767864      3.063173
  C      -4.061666     -7.441130      4.353132
  N      -4.672628     -6.139841      4.148884
  Mo     -3.424275     -4.640913      3.605090
  N      -1.639952     -5.316412      4.323767
  C      -0.739260     -6.147932      3.520444
  C      -1.409240     -6.450512      2.191118
  H      -0.518307     -7.070325      4.083373
  H       0.220619     -5.636805      3.343233
  H      -1.061329     -7.406317      1.770089
  H      -1.183681     -5.661836      1.468584
  H      -4.809368     -8.217842      4.560363
  H      -3.373143     -7.395224      5.211854
  H      -3.976638     -8.303254      2.370329
  H      -2.438480     -8.397599      3.255902
  H      -2.481966     -4.966190     -0.146831
  H      -4.183635     -4.495388      0.059626
  H      -3.362408     -7.092844      0.401534
  H      -4.700170     -6.395094      1.364165
  C      -2.282668     -2.901589      1.432129
  C      -1.873198     -2.464026      0.148668
  C      -1.311686     -1.209531      0.000651
  C      -1.180228     -0.334776      1.101059
  C      -1.559509     -0.745609      2.362958
  C      -2.047395     -2.055588      2.555807
  N      -2.478979     -2.556664      3.765443
  C      -2.090357     -2.019426      4.912376
  C      -0.833711     -1.358474      5.247989
  O      -0.676097     -0.596778      6.165471
  Cl      0.616772     -1.974124      4.323805
  C      -5.953126     -5.868940      4.501865
  C      -6.847137     -6.739973      5.169187
  C      -8.136258     -6.320202      5.460330
  C      -8.578153     -5.037709      5.081370
  C      -7.719205     -4.164475      4.419087
  C      -6.390027     -4.555530      4.149071
  N      -5.436846     -3.778822      3.498138
  C      -5.705153     -2.458526      3.362308
  C      -5.263755     -1.680872      2.245582
  O      -4.885800     -2.045789      1.154809
  Cl     -5.419688      0.103840      2.604726
  C      -1.283239     -5.068424      5.612727
  C      -0.017931     -5.343163      6.185677
  C       0.231768     -4.971694      7.492515
  C      -0.755959     -4.309844      8.258917
  C      -2.007018     -4.061167      7.732768
  C      -2.307198     -4.476764      6.415712
  N      -3.516680     -4.299304      5.782782
  C      -4.648088     -4.016860      6.468291
  C      -5.015269     -4.641139      7.709762
  O      -4.476772     -5.525861      8.333336
  Cl     -6.625926     -3.965655      8.283195
  H      -2.037877     -3.086186     -0.728289
  H      -1.016102     -0.870747     -0.993052
  H      -0.807794      0.678220      0.949458
  H      -1.519275     -0.051878      3.202069
  H      -2.747647     -2.124010      5.772968
  H      -6.518198     -7.730259      5.479437
  H      -8.810595     -6.988729      5.996441
  H      -9.597913     -4.723137      5.304690
  H      -8.074851     -3.179271      4.117403
  H      -6.376971     -1.967015      4.068988
  H       0.767663     -5.803802      5.589033
  H       1.215376     -5.155563      7.925857
  H      -0.521178     -3.977256      9.270230
  H      -2.755956     -3.527737      8.315616
  H      -5.406170     -3.412353      5.982775
  N      -6.842053     -6.666514      1.801663
  N      -8.187014     -6.292892      2.082539
  H      -8.752834     -7.019154      2.570465
  H      -8.208820     -5.450009      2.708830
  H      -8.694516     -6.028036      1.219448
76
Coordinates from ORCA-job orca E -7354.127899452169
  N      -2.939426     -4.060188      1.700349
  C      -3.310821     -4.917666      0.577338
  C      -3.634078     -6.300703      1.121650
  N      -2.884546     -6.493393      2.390839
  C      -3.315416     -7.765924      3.062385
  C      -4.059850     -7.439683      4.353513
  N      -4.671367     -6.138473      4.150204
  Mo     -3.424257     -4.638882      3.604813
  N      -1.640876     -5.315932      4.324076
  C      -0.740394     -6.147697      3.520640
  C      -1.409718     -6.447691      2.190486
  H      -0.521390     -7.071203      4.082512
  H       0.220330     -5.637641      3.345127
  H      -1.061476     -7.402598      1.767704
  H      -1.184203     -5.657482      1.469628
  H      -4.807300     -8.216492      4.561288
  H      -3.370358     -7.393979      5.211430
  H      -3.977431     -8.300965      2.370151
  H      -2.438160     -8.395958      3.253695
  H      -2.485042     -4.962808     -0.148318
  H      -4.186610     -4.492809      0.060713
  H      -3.363745     -7.090128      0.400773
  H      -4.701269     -6.393118      1.364388
  C      -2.283248     -2.899506      1.431310
  C      -1.874302     -2.461720      0.147782
  C      -1.311420     -1.207782      0.000110
  C      -1.178226     -0.333753      1.100845
  C      -1.557226     -0.744716      2.362763
  C      -2.046450     -2.054286      2.555240
  N      -2.477211     -2.555847      3.764911
  C      -2.085946     -2.019436      4.911566
  C      -0.827418     -1.361454      5.245371
  O      -0.666307     -0.600269      6.162711
  Cl      0.620264     -1.980479      4.318587
  C      -5.951913     -5.868351      4.503215
  C      -6.845152     -6.739596      5.171506
  C      -8.134805     -6.320829      5.461556
  C      -8.578198     -5.039397      5.080363
  C      -7.719946     -4.165794      4.417912
  C      -6.390134     -4.555693      4.149062
  N      -5.437687     -3.778565      3.497667
  C      -5.706871     -2.458461      3.361966
  C      -5.265075     -1.679816      2.245983
  O      -4.886377     -2.043739      1.155131
  Cl     -5.421880      0.104575      2.606456
  C      -1.284982     -5.069483      5.613518
  C      -0.020606     -5.346826      6.187324
  C       0.228673     -4.976841      7.494600
  C      -0.758555     -4.313863      8.260739
  C      -2.008737     -4.062669      7.733810
  C      -2.308663     -4.476774      6.416225
  N      -3.517178     -4.296255      5.782589
  C      -4.648763     -4.011769      6.466762
  C      -5.018816     -4.635378      7.707759
  O      -4.482712     -5.521375      8.331591
  Cl     -6.628339     -3.956621      8.279666
  H      -2.040266     -3.083283     -0.729331
  H      -1.015945     -0.868832     -0.993564
  H      -0.804567      0.678833      0.949510
  H      -1.515599     -0.051475      3.202189
  H      -2.742319     -2.122565      5.772858
  H      -6.515024     -7.728864      5.483551
  H      -8.808552     -6.989238      5.998425
  H      -9.598650     -4.725968      5.302393
  H      -8.076593     -3.181840      4.114041
  H      -6.379236     -1.967705      4.068774
  H       0.764716     -5.808376      5.591031
  H       1.211608     -5.162799      7.928548
  H      -0.524015     -3.982382      9.272442
  H      -2.757166     -3.528324      8.316478
  H      -5.404747     -3.405493      5.980310
  N      -6.839398     -6.673321      1.804877
  N      -8.184749     -6.302061      2.085131
  H      -8.748706     -7.028267      2.574496
  H      -8.208428     -5.458028      2.709470
  H      -8.693344     -6.040405      1.221176
76
Coordinates from ORCA-job orca E -7354.127903636042
  N      -2.940544     -4.056607      1.699471
  C      -3.313112     -4.913882      0.576784
  C      -3.635423     -6.297194      1.121211
  N      -2.884842     -6.489877      2.389713
  C      -3.314839     -7.763020      3.061011
  C      -4.056777     -7.437666      4.353870
  N      -4.669096     -6.136610      4.151910
  Mo     -3.423952     -4.635836      3.604198
  N      -1.642295     -5.315433      4.325122
  C      -0.741758     -6.146875      3.521236
  C      -1.409985     -6.443296      2.189756
  H      -0.524877     -7.071924      4.081388
  H       0.219839     -5.637717      3.348151
  H      -1.061132     -7.396928      1.764612
  H      -1.184425     -5.650916      1.471304
  H      -4.803773     -8.214682      4.562514
  H      -3.365773     -7.392172      5.210550
  H      -3.978372     -8.297237      2.369560
  H      -2.437384     -8.393560      3.250059
  H      -2.488314     -4.958315     -0.150118
  H      -4.189884     -4.489067      0.061621
  H      -3.365656     -7.086162      0.399607
  H      -4.702520     -6.389907      1.364891
  C      -2.284565     -2.895934      1.429864
  C      -1.877388     -2.457336      0.146084
  C      -1.313287     -1.203820     -0.001150
  C      -1.177277     -0.331054      1.100281
  C      -1.554843     -0.742804      2.362413
  C      -2.045368     -2.052029      2.554232
  N      -2.474044     -2.554940      3.764117
  C      -2.077716     -2.020472      4.910362
  C      -0.815720     -1.367989      5.240739
  O      -0.648066     -0.608918      6.158677
  Cl      0.626499     -1.991239      4.307384
  C      -5.949690     -5.867631      4.504966
  C      -6.841616     -6.739120      5.174955
  C      -8.131925     -6.321749      5.463809
  C      -8.577441     -5.041764      5.079539
  C      -7.720574     -4.167906      4.416226
  C      -6.389807     -4.556114      4.148722
  N      -5.438553     -3.778380      3.496479
  C      -5.709246     -2.458615      3.360653
  C      -5.267474     -1.678972      2.245072
  O      -4.888241     -2.042040      1.154083
  Cl     -5.425552      0.105094      2.606538
  C      -1.288117     -5.071706      5.615444
  C      -0.025235     -5.353029      6.190844
  C       0.223054     -4.985533      7.498934
  C      -0.763676     -4.321060      8.264564
  C      -2.012408     -4.065978      7.736165
  C      -2.311609     -4.477510      6.417572
  N      -3.518352     -4.291706      5.782395
  C      -4.650181     -4.003292      6.464112
  C      -5.025282     -4.625289      7.704501
  O      -4.493804     -5.513484      8.329122
  Cl     -6.632949     -3.940513      8.273108
  H      -2.045525     -3.077854     -0.731392
  H      -1.018897     -0.864168     -0.994919
  H      -0.802452      0.681205      0.949420
  H      -1.510995     -0.050469      3.202552
  H      -2.732069     -2.122077      5.773576
  H      -6.509722     -7.727033      5.489483
  H      -8.804749     -6.990003      6.001989
  H      -9.598673     -4.729796      5.300242
  H      -8.078842     -3.185225      4.109720
  H      -6.382372     -1.968706      4.067400
  H       0.759867     -5.815736      5.595163
  H       1.204904     -5.174622      7.934023
  H      -0.529732     -3.991397      9.276988
  H      -2.760210     -3.530321      8.318428
  H      -5.402511     -3.393874      5.975956
  N      -6.835003     -6.685291      1.810092
  N      -8.180753     -6.315007      2.089668
  H      -8.743050     -7.039511      2.583307
  H      -8.205780     -5.467691      2.709325
  H      -8.690677     -6.059281      1.224541
76
Coordinates from ORCA-job orca E -7354.127908379060
  N      -2.942239     -4.051359      1.698279
  C      -3.316227     -4.908343      0.576011
  C      -3.637147     -6.291880      1.120588
  N      -2.885145     -6.484407      2.388194
  C      -3.313770     -7.758487      3.059049
  C      -4.052619     -7.434673      4.354088
  N      -4.665902     -6.133771      4.154256
  Mo     -3.423447     -4.631291      3.603329
  N      -1.644388     -5.314447      4.326934
  C      -0.743480     -6.144643      3.521995
  C      -1.410236     -6.436585      2.188798
  H      -0.528578     -7.071635      4.079582
  H       0.218833     -5.636015      3.351997
  H      -1.060593     -7.388670      1.760842
  H      -1.184619     -5.641576      1.473313
  H      -4.799023     -8.212000      4.563435
  H      -3.359573     -7.389777      5.209041
  H      -3.979023     -8.291500      2.368503
  H      -2.436155     -8.389546      3.245306
  H      -2.492593     -4.952146     -0.152256
  H      -4.194064     -4.483682      0.062521
  H      -3.367948     -7.080392      0.398275
  H      -4.703994     -6.385669      1.365467
  C      -2.286935     -2.890465      1.427747
  C      -1.883146     -2.450329      0.143508
  C      -1.317667     -1.197316     -0.003259
  C      -1.176840     -0.326777      1.099283
  C      -1.551490     -0.740098      2.361855
  C      -2.043855     -2.048725      2.552704
  N      -2.469203     -2.553600      3.763029
  C      -2.064828     -2.022104      4.908361
  C      -0.797466     -1.378476      5.233230
  O      -0.619514     -0.622819      6.152202
  Cl      0.635776     -2.008346      4.289606
  C      -5.946559     -5.866146      4.507700
  C      -6.836365     -6.737635      5.180835
  C      -8.127625     -6.322287      5.468165
  C      -8.576598     -5.044788      5.079058
  C      -7.721510     -4.170866      4.413506
  C      -6.389331     -4.556399      4.148230
  N      -5.439801     -3.777952      3.494605
  C      -5.712776     -2.458779      3.358095
  C      -5.271286     -1.678274      2.242544
  O      -4.891855     -2.040942      1.151535
  Cl     -5.430734      0.105377      2.604598
  C      -1.292978     -5.075168      5.618632
  C      -0.032335     -5.362356      6.196346
  C       0.214243     -4.999024      7.505785
  C      -0.771846     -4.332703      8.270781
  C      -2.018343     -4.071742      7.740202
  C      -2.316315     -4.479123      6.419986
  N      -3.520315     -4.285296      5.782372
  C      -4.652599     -3.991200      6.460328
  C      -5.035471     -4.611151      7.699628
  O      -4.510724     -5.502354      8.325711
  Cl     -6.641059     -3.917957      8.262833
  H      -2.054810     -3.069113     -0.734489
  H      -1.025600     -0.856342     -0.997254
  H      -0.800495      0.685013      0.949138
  H      -1.503683     -0.049444      3.203144
  H      -2.715546     -2.120630      5.774229
  H      -6.501784     -7.723419      5.499236
  H      -8.798837     -6.990239      6.008766
  H      -9.598872     -4.735059      5.298057
  H      -8.081777     -3.190405      4.103516
  H      -6.387241     -1.969845      4.064260
  H       0.752461     -5.826440      5.601385
  H       1.194397     -5.192750      7.942632
  H      -0.538889     -4.006060      9.284393
  H      -2.765196     -3.534297      8.321950
  H      -5.399688     -3.377432      5.969569
  N      -6.827733     -6.706653      1.818328
  N      -8.173149     -6.333537      2.096222
  H      -8.735187     -7.053033      2.597626
  H      -8.197801     -5.480298      2.707557
  H      -8.683881     -6.086275      1.229235
76
Coordinates from ORCA-job orca E -7354.127912900895
  N      -2.943349     -4.047094      1.697732
  C      -3.317909     -4.903953      0.575754
  C      -3.638406     -6.287399      1.120202
  N      -2.885525     -6.480136      2.387272
  C      -3.313664     -7.754827      3.057582
  C      -4.049542     -7.432160      4.354434
  N      -4.663163     -6.131355      4.156232
  Mo     -3.422745     -4.627569      3.602771
  N      -1.645922     -5.313991      4.328750
  C      -0.744752     -6.143055      3.522812
  C      -1.410515     -6.431934      2.188386
  H      -0.530903     -7.071396      4.078509
  H       0.217960     -5.634604      3.354846
  H      -1.060537     -7.383090      1.758652
  H      -1.184591     -5.635227      1.474906
  H      -4.795517     -8.209607      4.564785
  H      -3.354545     -7.387694      5.207807
  H      -3.980980     -8.286154      2.367822
  H      -2.436198     -8.386803      3.241162
  H      -2.494732     -4.947829     -0.153020
  H      -4.196154     -4.479238      0.063018
  H      -3.369711     -7.075760      0.397558
  H      -4.705131     -6.381530      1.366156
  C      -2.289177     -2.885635      1.426422
  C      -1.889153     -2.443895      0.141657
  C      -1.323413     -1.190906     -0.004910
  C      -1.178517     -0.322293      1.098646
  C      -1.549851     -0.737318      2.361776
  C      -2.042947     -2.045683      2.551823
  N      -2.464873     -2.552618      3.762652
  C      -2.053482     -2.024223      4.907281
  C      -0.781559     -1.387940      5.227382
  O      -0.594910     -0.636345      6.147912
  Cl      0.643928     -2.021430      4.273635
  C      -5.943807     -5.864788      4.509618
  C      -6.831893     -6.736353      5.185014
  C      -8.123815     -6.322640      5.471237
  C      -8.575081     -5.047017      5.078516
  C      -7.722178     -4.173312      4.411050
  C      -6.388585     -4.556443      4.147566
  N      -5.440501     -3.777413      3.492780
  C      -5.715367     -2.458790      3.355306
  C      -5.274982     -1.678186      2.239186
  O      -4.896073     -2.041201      1.148229
  Cl     -5.435474      0.105176      2.600659
  C      -1.296863     -5.078441      5.621537
  C      -0.038012     -5.370483      6.201072
  C       0.207227     -5.010574      7.511610
  C      -0.778283     -4.342718      8.276138
  C      -2.022970     -4.076900      7.743871
  C      -2.320026     -4.480811      6.422311
  N      -3.521717     -4.280252      5.782619
  C      -4.654180     -3.980942      6.457398
  C      -5.043318     -4.598109      7.696311
  O      -4.524448     -5.491284      8.324438
  Cl     -6.647324     -3.897459      8.254160
  H      -2.063957     -3.061194     -0.736813
  H      -1.034173     -0.848523     -0.999254
  H      -0.801559      0.689350      0.949089
  H      -1.498644     -0.048182      3.204154
  H      -2.700887     -2.121772      5.776259
  H      -6.495301     -7.720702      5.505955
  H      -8.793838     -6.990361      6.013691
  H      -9.597985     -4.738729      5.296424
  H      -8.084845     -3.193562      4.098489
  H      -6.390663     -1.970190      4.060812
  H       0.746460     -5.835689      5.606582
  H       1.186001     -5.208097      7.949875
  H      -0.546044     -4.018559      9.290722
  H      -2.768946     -3.537936      8.325255
  H      -5.397057     -3.363907      5.964210
  N      -6.821817     -6.728223      1.825053
  N      -8.166207     -6.348852      2.100749
  H      -8.729907     -7.060777      2.611326
  H      -8.188499     -5.488371      2.702007
  H      -8.676565     -6.110663      1.231171
76
Coordinates from ORCA-job orca E -7354.127917107194
  N      -2.944295     -4.041909      1.696299
  C      -3.318400     -4.898625      0.574194
  C      -3.638068     -6.281930      1.118286
  N      -2.885521     -6.474536      2.385629
  C      -3.313218     -7.750073      3.055330
  C      -4.045011     -7.429061      4.354812
  N      -4.659471     -6.128572      4.159060
  Mo     -3.421928     -4.622956      3.601261
  N      -1.648320     -5.313363      4.331170
  C      -0.745914     -6.139621      3.523764
  C      -1.410271     -6.425786      2.187917
  H      -0.531602     -7.069236      4.077091
  H       0.216449     -5.629868      3.357898
  H      -1.059732     -7.376158      1.756910
  H      -1.183901     -5.627585      1.476230
  H      -4.790076     -8.206830      4.566860
  H      -3.346952     -7.385036      5.205662
  H      -3.983478     -8.278826      2.366738
  H      -2.436077     -8.383316      3.235146
  H      -2.494970     -4.942504     -0.154325
  H      -4.196679     -4.474156      0.061378
  H      -3.368191     -7.069999      0.395901
  H      -4.704362     -6.377427      1.363750
  C      -2.292375     -2.879151      1.423992
  C      -1.897931     -2.434779      0.138445
  C      -1.333086     -1.181204     -0.007807
  C      -1.183125     -0.315330      1.097371
  C      -1.549231     -0.733274      2.361407
  C      -2.042455     -2.041605      2.550090
  N      -2.459449     -2.551766      3.761633
  C      -2.037766     -2.028135      4.905274
  C      -0.758910     -1.403398      5.218333
  O      -0.558671     -0.658920      6.141861
  Cl      0.654227     -2.041514      4.248268
  C      -5.940325     -5.863009      4.512985
  C      -6.826069     -6.733832      5.192511
  C      -8.118686     -6.321736      5.478206
  C      -8.573412     -5.048612      5.080846
  C      -7.721822     -4.175640      4.409309
  C      -6.387619     -4.556633      4.147406
  N      -5.441280     -3.777274      3.489940
  C      -5.718804     -2.459489      3.350971
  C      -5.280068     -1.678611      2.233575
  O      -4.902517     -2.042288      1.142106
  Cl     -5.441005      0.104609      2.594173
  C      -1.303126     -5.083244      5.625658
  C      -0.046621     -5.381387      6.207842
  C       0.196315     -5.026529      7.520061
  C      -0.788973     -4.357492      8.284045
  C      -2.031216     -4.085498      7.749345
  C      -2.326544     -4.484216      6.425666
  N      -3.524823     -4.273986      5.782897
  C      -4.657599     -3.967173      6.452739
  C      -5.056031     -4.580145      7.691111
  O      -4.546398     -5.476190      8.322468
  Cl     -6.657567     -3.868198      8.240759
  H      -2.076579     -3.050105     -0.740786
  H      -1.048311     -0.836403     -1.002706
  H      -0.806273      0.696517      0.948720
  H      -1.493532     -0.046405      3.205571
  H      -2.679939     -2.124185      5.778776
  H      -6.486892     -7.716250      5.516897
  H      -8.786735     -6.988883      6.023904
  H      -9.596838     -4.741976      5.298387
  H      -8.085956     -3.198158      4.094191
  H      -6.395365     -1.971394      4.055603
  H       0.737767     -5.847247      5.613780
  H       1.173256     -5.228708      7.960414
  H      -0.558041     -4.036993      9.300126
  H      -2.776371     -3.544912      8.330202
  H      -5.394277     -3.345501      5.956007
  N      -6.810271     -6.753893      1.838597
  N      -8.154461     -6.367388      2.107595
  H      -8.722955     -7.073849      2.621668
  H      -8.177086     -5.502218      2.702235
  H      -8.660776     -6.133601      1.235157
76
Coordinates from ORCA-job orca E -7354.127922490878
  N      -2.944206     -4.040830      1.697142
  C      -3.317590     -4.897306      0.574602
  C      -3.639694     -6.279745      1.118571
  N      -2.887016     -6.473668      2.385739
  C      -3.315814     -7.749038      3.054784
  C      -4.046566     -7.428143      4.354674
  N      -4.659852     -6.127157      4.159822
  Mo     -3.421846     -4.621873      3.601790
  N      -1.648417     -5.313330      4.331305
  C      -0.746661     -6.139616      3.523355
  C      -1.411768     -6.426215      2.187879
  H      -0.531810     -7.069066      4.076730
  H       0.215646     -5.630025      3.356567
  H      -1.062096     -7.377231      1.757550
  H      -1.184841     -5.628741      1.475543
  H      -4.792030     -8.205499      4.566932
  H      -3.347811     -7.384980      5.205074
  H      -3.987129     -8.276458      2.366118
  H      -2.439198     -8.383230      3.233797
  H      -2.492773     -4.942730     -0.152182
  H      -4.194177     -4.471808      0.060025
  H      -3.371476     -7.068588      0.396464
  H      -4.706134     -6.373441      1.365406
  C      -2.292597     -2.877806      1.425040
  C      -1.899681     -2.432776      0.139299
  C      -1.335445     -1.179012     -0.007103
  C      -1.184120     -0.313994      1.098394
  C      -1.548700     -0.732682      2.362699
  C      -2.041953     -2.040813      2.551143
  N      -2.458657     -2.551077      3.762860
  C      -2.036485     -2.027773      4.906239
  C      -0.757301     -1.403498      5.218947
  O      -0.556479     -0.658668      6.142211
  Cl      0.654870     -2.042730      4.248839
  C      -5.940674     -5.861380      4.513128
  C      -6.826772     -6.732287      5.191997
  C      -8.119706     -6.320519      5.476710
  C      -8.574215     -5.047734      5.078748
  C      -7.722703     -4.174824      4.407369
  C      -6.387769     -4.555043      4.147108
  N      -5.441374     -3.776052      3.489508
  C      -5.719047     -2.458468      3.349048
  C      -5.281217     -1.679145      2.230507
  O      -4.904130     -2.044498      1.139652
  Cl     -5.442728      0.104112      2.588384
  C      -1.303011     -5.084057      5.625817
  C      -0.046376     -5.382971      6.207360
  C       0.197173     -5.028921      7.519654
  C      -0.787522     -4.359856      8.284279
  C      -2.029845     -4.087059      7.750235
  C      -2.325909     -4.485037      6.426462
  N      -3.524202     -4.273904      5.783952
  C      -4.656957     -3.966754      6.453412
  C      -5.055662     -4.578316      7.692497
  O      -4.546313     -5.473416      8.325460
  Cl     -6.658136     -3.866122      8.240149
  H      -2.079298     -3.047787     -0.739882
  H      -1.052147     -0.833570     -1.002166
  H      -0.807415      0.697847      0.949898
  H      -1.491524     -0.046509      3.207175
  H      -2.677761     -2.123035      5.779487
  H      -6.487804     -7.714918      5.516020
  H      -8.788013     -6.987915      6.021955
  H      -9.597825     -4.741221      5.295321
  H      -8.087644     -3.197348      4.091791
  H      -6.395541     -1.969535      4.053033
  H       0.737393     -5.848773      5.612466
  H       1.174139     -5.231650      7.959647
  H      -0.556049     -4.039968      9.300440
  H      -2.774309     -3.546307      8.331706
  H      -5.394139     -3.346308      5.955792
  N      -6.807827     -6.774454      1.844672
  N      -8.149035     -6.373967      2.109626
  H      -8.723676     -7.068861      2.632754
  H      -8.164366     -5.501316      2.693396
  H      -8.652845     -6.147182      1.233964
76
Coordinates from ORCA-job orca E -7354.127928817825
  N      -2.942859     -4.040831      1.698130
  C      -3.314373     -4.897174      0.574594
  C      -3.640586     -6.278475      1.118520
  N      -2.888769     -6.474399      2.385896
  C      -3.319970     -7.749136      3.054339
  C      -4.048397     -7.427464      4.355151
  N      -4.660675     -6.125999      4.160948
  Mo     -3.421689     -4.621838      3.602247
  N      -1.648038     -5.313910      4.330434
  C      -0.747146     -6.141045      3.522566
  C      -1.413497     -6.429320      2.187949
  H      -0.531427     -7.069799      4.076866
  H       0.215034     -5.631604      3.353924
  H      -1.065401     -7.381676      1.759328
  H      -1.185502     -5.633644      1.473927
  H      -4.793912     -8.204305      4.568907
  H      -3.348287     -7.384609      5.204449
  H      -3.993605     -8.274276      2.366283
  H      -2.444547     -8.385410      3.231662
  H      -2.486890     -4.944350     -0.149110
  H      -4.188094     -4.470233      0.056481
  H      -3.374394     -7.068443      0.396857
  H      -4.707395     -6.369059      1.365822
  C      -2.291942     -2.877251      1.426727
  C      -1.899611     -2.431769      0.140995
  C      -1.337238     -1.177216     -0.005405
  C      -1.186907     -0.312221      1.100199
  C      -1.550624     -0.731378      2.364577
  C      -2.042453     -2.039980      2.552800
  N      -2.459227     -2.550393      3.764406
  C      -2.038566     -2.026971      4.907947
  C      -0.760085     -1.400813      5.221635
  O      -0.560774     -0.655700      6.144965
  Cl      0.653423     -2.038012      4.252523
  C      -5.941560     -5.859527      4.513289
  C      -6.828795     -6.730168      5.190768
  C      -8.121772     -6.317838      5.474618
  C      -8.575110     -5.044904      5.076664
  C      -7.722892     -4.172317      4.405992
  C      -6.387999     -4.553006      4.147009
  N      -5.441123     -3.774932      3.488968
  C      -5.718334     -2.457402      3.347050
  C      -5.281141     -1.679583      2.227571
  O      -4.904305     -2.046497      1.137228
  Cl     -5.442768      0.103873      2.582922
  C      -1.301905     -5.084665      5.624832
  C      -0.044799     -5.383572      6.205237
  C       0.199821     -5.029733      7.517370
  C      -0.784249     -4.360855      8.282881
  C      -2.026991     -4.088031      7.749949
  C      -2.324129     -4.485849      6.426353
  N      -3.522874     -4.274888      5.784762
  C      -4.655439     -3.968125      6.454424
  C      -5.053329     -4.578419      7.694408
  O      -4.543312     -5.471971      8.328976
  Cl     -6.656831     -3.866670      8.241043
  H      -2.078518     -3.047162     -0.738056
  H      -1.054831     -0.831303     -1.000499
  H      -0.811505      0.700097      0.951750
  H      -1.493700     -0.045382      3.209197
  H      -2.679814     -2.123920      5.781097
  H      -6.490772     -7.713225      5.513989
  H      -8.790798     -6.985117      6.019010
  H      -9.598718     -4.737759      5.292350
  H      -8.087961     -3.194895      4.089704
  H      -6.394222     -1.967448      4.050947
  H       0.738306     -5.849132      5.609261
  H       1.177077     -5.232399      7.956600
  H      -0.551995     -4.041234      9.298936
  H      -2.770868     -3.547380      8.332218
  H      -5.393727     -3.349561      5.956291
  N      -6.806260     -6.792559      1.852832
  N      -8.144619     -6.379357      2.111050
  H      -8.726008     -7.064592      2.639531
  H      -8.154509     -5.501525      2.686766
  H      -8.644886     -6.156939      1.231958
76
Coordinates from ORCA-job orca E -7354.127934499963
  N      -2.941741     -4.038573      1.698449
  C      -3.311091     -4.894395      0.573365
  C      -3.641457     -6.274856      1.116686
  N      -2.890891     -6.473001      2.384642
  C      -3.324530     -7.747575      3.051983
  C      -4.047186     -7.425732      4.355977
  N      -4.659567     -6.124031      4.164055
  Mo     -3.421414     -4.620135      3.601960
  N      -1.649083     -5.314528      4.330205
  C      -0.748394     -6.141354      3.521922
  C      -1.415414     -6.429870      2.187413
  H      -0.531483     -7.070085      4.075925
  H       0.213387     -5.631083      3.352465
  H      -1.068556     -7.383078      1.759666
  H      -1.185996     -5.635210      1.472663
  H      -4.791873     -8.202460      4.573142
  H      -3.343530     -7.382941      5.202371
  H      -4.002907     -8.268871      2.365516
  H      -2.450482     -8.387211      3.224575
  H      -2.480740     -4.942269     -0.147079
  H      -4.181989     -4.465898      0.051858
  H      -3.376849     -7.065468      0.395131
  H      -4.708964     -6.362338      1.363531
  C      -2.292146     -2.873981      1.427667
  C      -1.901336     -2.427193      0.141859
  C      -1.340293     -1.171982     -0.003991
  C      -1.189603     -0.307989      1.102293
  C      -1.551794     -0.728296      2.366787
  C      -2.042887     -2.037318      2.554111
  N      -2.458361     -2.548924      3.765678
  C      -2.035058     -2.027072      4.908944
  C      -0.754253     -1.404481      5.220730
  O      -0.550280     -0.661640      6.144886
  Cl      0.655306     -2.043518      4.246706
  C      -5.940612     -5.857849      4.515535
  C      -6.828261     -6.728609      5.192419
  C      -8.121626     -6.316591      5.475369
  C      -8.575219     -5.044072      5.076420
  C      -7.722966     -4.171498      4.405557
  C      -6.387976     -4.551923      4.147764
  N      -5.442002     -3.774520      3.487469
  C      -5.720101     -2.457476      3.342975
  C      -5.284149     -1.681427      2.221894
  O      -4.906907     -2.050334      1.132311
  Cl     -5.448054      0.102352      2.573078
  C      -1.303633     -5.087246      5.625267
  C      -0.047022     -5.388614      6.205735
  C       0.197906     -5.036650      7.518303
  C      -0.785450     -4.367231      8.284341
  C      -2.027617     -4.091924      7.751402
  C      -2.325157     -4.487659      6.427162
  N      -3.522838     -4.272733      5.785233
  C      -4.655332     -3.962630      6.452888
  C      -5.056878     -4.569567      7.693391
  O      -4.551272     -5.463794      8.330218
  Cl     -6.658417     -3.851185      8.236704
  H      -2.080496     -3.042245     -0.737370
  H      -1.059344     -0.824965     -0.999158
  H      -0.814901      0.704660      0.954340
  H      -1.494103     -0.043308      3.212240
  H      -2.674345     -2.123792      5.783365
  H      -6.490113     -7.711551      5.515708
  H      -8.790690     -6.984011      6.019476
  H      -9.599114     -4.737048      5.291182
  H      -8.088926     -3.195109      4.087630
  H      -6.395511     -1.966488      4.046708
  H       0.735421     -5.854377      5.609028
  H       1.174783     -5.241112      7.957606
  H      -0.553023     -4.049112      9.300861
  H      -2.770557     -3.550643      8.334268
  H      -5.391262     -3.343036      5.952727
  N      -6.800139     -6.816962      1.869062
  N      -8.136217     -6.391492      2.117020
  H      -8.725398     -7.066830      2.649473
  H      -8.142400     -5.508289      2.683830
  H      -8.631214     -6.174330      1.233268
76
Coordinates from ORCA-job orca E -7354.127941651018
  N      -2.940916     -4.032291      1.697891
  C      -3.308483     -4.887287      0.571031
  C      -3.643391     -6.266905      1.113342
  N      -2.894000     -6.468112      2.381668
  C      -3.331051     -7.742754      3.047188
  C      -4.042150     -7.421335      4.357368
  N      -4.655738     -6.119664      4.169449
  Mo     -3.420709     -4.615234      3.600620
  N      -1.651741     -5.315040      4.330591
  C      -0.751521     -6.142011      3.521864
  C      -1.418119     -6.427411      2.186169
  H      -0.535848     -7.072026      4.074246
  H       0.210790     -5.632092      3.353813
  H      -1.072673     -7.380658      1.757440
  H      -1.186228     -5.632230      1.472800
  H      -4.784858     -8.198186      4.580684
  H      -3.331775     -7.378225      5.198004
  H      -4.018568     -8.256540      2.364301
  H      -2.459806     -8.388742      3.210295
  H      -2.475427     -4.935380     -0.146413
  H      -4.176537     -4.456805      0.046383
  H      -3.380919     -7.057856      0.391287
  H      -4.711880     -6.351417      1.359770
  C      -2.293358     -2.866305      1.427480
  C      -1.905692     -2.417008      0.141658
  C      -1.345490     -1.161144     -0.002806
  C      -1.192440     -0.299468      1.104901
  C      -1.551714     -0.722144      2.369430
  C      -2.042751     -2.031550      2.554867
  N      -2.454759     -2.546061      3.766344
  C      -2.023786     -2.027898      4.908820
  C      -0.737343     -1.414524      5.215133
  O      -0.522180     -0.676677      6.140798
  Cl      0.662515     -2.058303      4.229052
  C      -5.936812     -5.854857      4.520102
  C      -6.823288     -6.725654      5.198553
  C      -8.117649     -6.315432      5.479602
  C      -8.574130     -5.045311      5.076216
  C      -7.723483     -4.172917      4.403357
  C      -6.387312     -4.551121      4.148109
  N      -5.443846     -3.774018      3.483835
  C      -5.724715     -2.458045      3.335671
  C      -5.290160     -1.683464      2.212800
  O      -4.911927     -2.054403      1.124156
  Cl     -5.457953      0.100506      2.559519
  C      -1.309060     -5.092799      5.627270
  C      -0.054990     -5.401590      6.209602
  C       0.189001     -5.054488      7.523487
  C      -0.792819     -4.382453      8.289451
  C      -2.032426     -4.099728      7.754774
  C      -2.329455     -4.490417      6.428828
  N      -3.523866     -4.265423      5.785016
  C      -4.656210     -3.947368      6.448167
  C      -5.067045     -4.549352      7.688230
  O      -4.570496     -5.446313      8.328239
  Cl     -6.665041     -3.818108      8.224453
  H      -2.086536     -3.030499     -0.738311
  H      -1.067044     -0.812063     -0.997930
  H      -0.817810      0.713455      0.958173
  H      -1.491664     -0.039315      3.216530
  H      -2.658968     -2.123395      5.786626
  H      -6.482992     -7.706736      5.524715
  H      -8.785551     -6.982651      6.025124
  H      -9.599043     -4.740172      5.288941
  H      -8.091817     -3.199239      4.080842
  H      -6.400461     -1.966545      4.038959
  H       0.726478     -5.869188      5.613029
  H       1.164017     -5.264714      7.964127
  H      -0.560935     -4.068057      9.307212
  H      -2.773582     -3.556071      8.337654
  H      -5.385565     -3.323188      5.944356
  N      -6.787234     -6.858642      1.895805
  N      -8.120625     -6.418225      2.130196
  H      -8.718262     -7.079113      2.671502
  H      -8.122259     -5.525733      2.681747
  H      -8.610511     -6.212442      1.240584
76
Coordinates from ORCA-job orca E -7354.008471824808
  N      -2.975858     -4.047011      1.778320
  C      -3.322046     -4.855425      0.635649
  C      -3.709309     -6.264792      1.048162
  N      -2.937146     -6.489966      2.405748
  C      -3.363641     -7.775630      3.076292
  C      -4.045106     -7.440914      4.445405
  N      -4.680037     -6.136765      4.277968
  Mo     -3.443263     -4.638273      3.663361
  N      -1.673601     -5.331616      4.380507
  C      -0.783730     -6.146403      3.552643
  C      -1.460278     -6.421774      2.215828
  H      -0.553217     -7.081348      4.090593
  H       0.171185     -5.624179      3.379239
  H      -1.105868     -7.367153      1.777286
  H      -1.238219     -5.616180      1.511038
  H      -4.772943     -8.224299      4.693752
  H      -3.308686     -7.387723      5.262572
  H      -4.071094     -8.282593      2.408968
  H      -2.492769     -8.427894      3.215465
  H      -2.446389     -4.859677     -0.031193
  H      -4.165553     -4.403206      0.089322
  H      -3.422627     -6.983325      0.262223
  H      -4.844020     -6.449050      1.170222
  C      -2.328906     -2.878794      1.508852
  C      -1.950338     -2.425925      0.221327
  C      -1.388413     -1.170479      0.076387
  C      -1.225066     -0.312829      1.185378
  C      -1.576637     -0.739366      2.450373
  C      -2.069877     -2.048713      2.632169
  N      -2.473624     -2.571313      3.837193
  C      -2.027700     -2.063805      4.979656
  C      -0.730943     -1.468759      5.277091
  O      -0.494753     -0.743839      6.207948
  Cl      0.650339     -2.117181      4.265800
  C      -5.984972     -5.836352      4.627240
  C      -6.988509     -6.576988      5.312389
  C      -8.271764     -6.014974      5.430068
  C      -8.540667     -4.761267      4.819403
  C      -7.715000     -4.073657      4.206365
  C      -6.339117     -4.562302      4.136248
  N      -5.404637     -3.848943      3.487089
  C      -5.729893     -2.550216      3.287668
  C      -5.297743     -1.796754      2.148972
  O      -4.881411     -2.189495      1.082019
  Cl     -5.537136     -0.010191      2.431749
  C      -1.324031     -5.116109      5.676376
  C      -0.067376     -5.430244      6.250695
  C       0.185111     -5.088494      7.564137
  C      -0.790572     -4.415758      8.337974
  C      -2.031961     -4.126987      7.811129
  C      -2.338453     -4.512614      6.485693
  N      -3.533647     -4.274964      5.848438
  C      -4.661232     -3.942669      6.511265
  C      -5.077581     -4.532252      7.755817
  O      -4.590253     -5.430729      8.400446
  Cl     -6.665682     -3.779242      8.289891
  H      -2.139106     -3.036215     -0.659164
  H      -1.116882     -0.819154     -0.919848
  H      -0.848300      0.699599      1.039604
  H      -1.508905     -0.061349      3.300806
  H      -2.655223     -2.159044      5.863480
  H      -6.765797     -7.550155      5.745634
  H      -9.058750     -6.551725      5.960243
  H      -9.538050     -4.320829      4.829503
  H      -7.449265     -3.179583      3.586351
  H      -6.436807     -2.060441      3.961297
  H       0.709604     -5.897694      5.648122
  H       1.162079     -5.303021      7.998353
  H      -0.551879     -4.104863      9.355162
  H      -2.767230     -3.581544      8.399753
  H      -5.384056     -3.313673      6.004272
  N      -6.951821     -7.330757      1.250235
  N      -7.812870     -6.502498      2.008271
  H      -8.627326     -7.067239      2.332194
  H      -7.802676     -5.724942      2.660889
  H      -7.872672     -6.012046      1.097021
76
Coordinates from ORCA-job orca E -7354.052887776520
  N      -2.964238     -4.034798      1.764972
  C      -3.312432     -4.853963      0.621003
  C      -3.692345     -6.256289      1.061770
  N      -2.942259     -6.479978      2.401888
  C      -3.381210     -7.757533      3.072875
  C      -4.060550     -7.424254      4.428880
  N      -4.685157     -6.120172      4.259955
  Mo     -3.442755     -4.625044      3.650399
  N      -1.680666     -5.332162      4.376684
  C      -0.791894     -6.155122      3.554645
  C      -1.464137     -6.427433      2.215948
  H      -0.573181     -7.090486      4.095330
  H       0.168092     -5.642655      3.385733
  H      -1.116041     -7.376500      1.781083
  H      -1.231787     -5.626324      1.510452
  H      -4.793953     -8.203584      4.676125
  H      -3.324857     -7.377067      5.246723
  H      -4.090222     -8.259466      2.405270
  H      -2.515151     -8.414770      3.215660
  H      -2.439841     -4.872289     -0.049780
  H      -4.154852     -4.405909      0.068230
  H      -3.399405     -6.988922      0.290983
  H      -4.811686     -6.424698      1.187646
  C      -2.310882     -2.868650      1.497335
  C      -1.924737     -2.416182      0.211696
  C      -1.357900     -1.163025      0.070846
  C      -1.196670     -0.306935      1.181619
  C      -1.555079     -0.732482      2.444541
  C      -2.053798     -2.040259      2.623646
  N      -2.464538     -2.562293      3.827908
  C      -2.020378     -2.055948      4.971598
  C      -0.720954     -1.466307      5.274071
  O      -0.485471     -0.741780      6.205425
  Cl      0.663321     -2.121464      4.271010
  C      -5.978372     -5.827880      4.610682
  C      -6.951351     -6.603825      5.303661
  C      -8.246521     -6.099447      5.463724
  C      -8.587611     -4.848202      4.890383
  C      -7.742659     -4.091205      4.233338
  C      -6.359821     -4.551963      4.136174
  N      -5.414272     -3.813980      3.472784
  C      -5.699707     -2.497456      3.272160
  C      -5.260438     -1.754835      2.130147
  O      -4.876448     -2.157766      1.054796
  Cl     -5.435058      0.037389      2.421888
  C      -1.336548     -5.118596      5.674372
  C      -0.085058     -5.441483      6.254424
  C       0.163886     -5.101128      7.568826
  C      -0.810780     -4.421351      8.337944
  C      -2.047514     -4.124274      7.805204
  C      -2.350271     -4.507813      6.478650
  N      -3.540899     -4.262406      5.835001
  C      -4.670390     -3.923781      6.490914
  C      -5.099500     -4.510110      7.732395
  O      -4.623080     -5.410911      8.381326
  Cl     -6.686237     -3.746281      8.253361
  H      -2.111468     -3.023508     -0.670657
  H      -1.081008     -0.812278     -0.923748
  H      -0.815729      0.704226      1.038465
  H      -1.488463     -0.055285      3.295560
  H      -2.651670     -2.147545      5.853112
  H      -6.688082     -7.575298      5.717641
  H      -8.994380     -6.679846      6.003275
  H      -9.604968     -4.450903      4.939578
  H      -7.546357     -3.177053      3.626869
  H      -6.376473     -1.978080      3.952480
  H       0.691226     -5.914568      5.655395
  H       1.137035     -5.322250      8.007726
  H      -0.574612     -4.111916      9.356010
  H      -2.781629     -3.573666      8.390446
  H      -5.386113     -3.291197      5.979087
  N      -6.907796     -7.315379      1.295603
  N      -7.854910     -6.530468      2.028156
  H      -8.647508     -7.117453      2.360846
  H      -7.845579     -5.733117      2.688069
  H      -7.967845     -6.036938      1.116554
76
Coordinates from ORCA-job orca E -7354.078443937151
  N      -2.948266     -4.025567      1.748600
  C      -3.299396     -4.856554      0.606410
  C      -3.670721     -6.249254      1.081981
  N      -2.941675     -6.473319      2.397374
  C      -3.393215     -7.744842      3.067259
  C      -4.070775     -7.415525      4.409603
  N      -4.683605     -6.110358      4.238032
  Mo     -3.439520     -4.617435      3.635039
  N      -1.683937     -5.334885      4.372123
  C      -0.794455     -6.165668      3.556083
  C      -1.462150     -6.436117      2.215481
  H      -0.586686     -7.101566      4.100531
  H       0.171022     -5.661842      3.391446
  H      -1.119876     -7.388688      1.783524
  H      -1.220393     -5.638667      1.509391
  H      -4.811207     -8.189444      4.654216
  H      -3.336507     -7.376358      5.228373
  H      -4.104583     -8.240600      2.396764
  H      -2.532119     -8.408466      3.212814
  H      -2.433440     -4.892210     -0.072440
  H      -4.141024     -4.411246      0.050757
  H      -3.376515     -6.997925      0.326672
  H      -4.768578     -6.400062      1.221970
  C      -2.290300     -2.860859      1.483711
  C      -1.895140     -2.406686      0.201473
  C      -1.324138     -1.154390      0.067076
  C      -1.167591     -0.300998      1.180437
  C      -1.534978     -0.728117      2.440758
  C      -2.037986     -2.034763      2.614489
  N      -2.456472     -2.557523      3.817820
  C      -2.015858     -2.052165      4.963506
  C      -0.717279     -1.464683      5.270675
  O      -0.485990     -0.739823      6.202584
  Cl      0.668454     -2.119577      4.272395
  C      -5.964659     -5.817380      4.589528
  C      -6.907385     -6.612702      5.291073
  C      -8.201398     -6.138414      5.487607
  C      -8.596583     -4.892627      4.947755
  C      -7.751448     -4.100783      4.258084
  C      -6.373249     -4.540402      4.130829
  N      -5.423939     -3.788789      3.457949
  C      -5.696419     -2.467644      3.261574
  C      -5.266335     -1.724899      2.118108
  O      -4.902537     -2.125008      1.034875
  Cl     -5.419784      0.065104      2.422060
  C      -1.346763     -5.122971      5.671906
  C      -0.101120     -5.452208      6.260714
  C       0.140454     -5.112657      7.577070
  C      -0.835699     -4.427803      8.339576
  C      -2.067310     -4.124621      7.798182
  C      -2.362406     -4.506889      6.469556
  N      -3.547668     -4.256070      5.818648
  C      -4.679930     -3.913324      6.467146
  C      -5.119085     -4.499001      7.705126
  O      -4.648643     -5.402980      8.355461
  Cl     -6.707464     -3.731443      8.215978
  H      -2.077327     -3.010575     -0.684179
  H      -1.039928     -0.802148     -0.925081
  H      -0.783063      0.709471      1.041643
  H      -1.471542     -0.052558      3.293530
  H      -2.650431     -2.142043      5.842408
  H      -6.615770     -7.582694      5.691115
  H      -8.919197     -6.742180      6.040014
  H      -9.623065     -4.526386      5.037260
  H      -7.630175     -3.176540      3.667225
  H      -6.358827     -1.940693      3.951855
  H       0.677171     -5.929518      5.667531
  H       1.109548     -5.338731      8.022917
  H      -0.604702     -4.119585      9.359430
  H      -2.803357     -3.570297      8.377655
  H      -5.390347     -3.277154      5.950735
  N      -6.859986     -7.280505      1.354578
  N      -7.900037     -6.552988      2.048830
  H      -8.667947     -7.166803      2.383931
  H      -7.884388     -5.739464      2.714511
  H      -8.084953     -6.053493      1.153148
76
Coordinates from ORCA-job orca E -7354.094948777404
  N      -2.934390     -4.019259      1.734769
  C      -3.286395     -4.859455      0.595160
  C      -3.649405     -6.244021      1.100452
  N      -2.936820     -6.466999      2.393922
  C      -3.397050     -7.735968      3.060187
  C      -4.075618     -7.411052      4.392363
  N      -4.680486     -6.104781      4.218530
  Mo     -3.436167     -4.612417      3.622751
  N      -1.685192     -5.335571      4.368894
  C      -0.793557     -6.171034      3.559220
  C      -1.456249     -6.440458      2.217104
  H      -0.593502     -7.106891      4.106842
  H       0.175718     -5.672928      3.398704
  H      -1.117420     -7.395562      1.787244
  H      -1.207087     -5.645070      1.510907
  H      -4.821419     -8.181192      4.633339
  H      -3.343502     -7.377708      5.213752
  H      -4.108322     -8.227037      2.384875
  H      -2.539397     -8.403748      3.207583
  H      -2.427014     -4.907645     -0.090902
  H      -4.128505     -4.416454      0.039838
  H      -3.355080     -7.007006      0.358915
  H      -4.732678     -6.377356      1.257702
  C      -2.275379     -2.856105      1.472513
  C      -1.874702     -2.401875      0.192846
  C      -1.302427     -1.149981      0.061621
  C      -1.150175     -0.297298      1.175818
  C      -1.523405     -0.724982      2.434421
  C      -2.027641     -2.030957      2.605940
  N      -2.450829     -2.553099      3.809507
  C      -2.013173     -2.047223      4.956095
  C      -0.716078     -1.460961      5.267106
  O      -0.488529     -0.735535      6.199541
  Cl      0.672008     -2.119354      4.275260
  C      -5.955238     -5.810415      4.569732
  C      -6.876279     -6.620284      5.277928
  C      -8.167772     -6.164002      5.502163
  C      -8.599967     -4.922106      4.990041
  C      -7.755796     -4.109148      4.277490
  C      -6.384894     -4.531344      4.124803
  N      -5.432827     -3.773247      3.448997
  C      -5.693107     -2.451369      3.258675
  C      -5.262414     -1.712255      2.112519
  O      -4.909531     -2.114451      1.025758
  Cl     -5.392566      0.078936      2.420899
  C      -1.353904     -5.125559      5.670293
  C      -0.112798     -5.459014      6.266020
  C       0.121905     -5.120815      7.583943
  C      -0.856433     -4.433557      8.341112
  C      -2.084215     -4.126119      7.793029
  C      -2.372504     -4.506647      6.462386
  N      -3.553259     -4.252571      5.804753
  C      -4.688777     -3.907717      6.446991
  C      -5.134953     -4.495361      7.681692
  O      -4.668547     -5.402290      8.331184
  Cl     -6.724423     -3.727493      8.186715
  H      -2.053395     -3.005528     -0.693933
  H      -1.013466     -0.797167     -0.928864
  H      -0.764492      0.712703      1.039093
  H      -1.463139     -0.049639      3.287251
  H      -2.650433     -2.135320      5.832644
  H      -6.566148     -7.589362      5.667811
  H      -8.865501     -6.782866      6.065325
  H      -9.630105     -4.579693      5.114364
  H      -7.707957     -3.174412      3.707999
  H      -6.342838     -1.918822      3.956618
  H       0.667400     -5.938552      5.677264
  H       1.087678     -5.350236      8.035283
  H      -0.630469     -4.126803      9.362543
  H      -2.821997     -3.570199      8.368541
  H      -5.395282     -3.268718      5.927020
  N      -6.826735     -7.222953      1.418563
  N      -7.942914     -6.558830      2.062541
  H      -8.683898     -7.200452      2.397663
  H      -7.920253     -5.739047      2.730976
  H      -8.200479     -6.064871      1.186145
76
Coordinates from ORCA-job orca E -7354.106312556953
  N      -2.921676     -4.017516      1.722643
  C      -3.272864     -4.863846      0.585070
  C      -3.631814     -6.242578      1.109226
  N      -2.927114     -6.463989      2.391344
  C      -3.392607     -7.733271      3.052518
  C      -4.075870     -7.411059      4.378011
  N      -4.676549     -6.103850      4.201190
  Mo     -3.432445     -4.610653      3.612577
  N      -1.684606     -5.335172      4.367007
  C      -0.788933     -6.173165      3.564363
  C      -1.445540     -6.443237      2.220690
  H      -0.593618     -7.108507      4.115241
  H       0.182736     -5.677582      3.407940
  H      -1.107711     -7.399750      1.792866
  H      -1.191415     -5.649003      1.514542
  H      -4.825155     -8.178961      4.614864
  H      -3.347383     -7.380341      5.203315
  H      -4.101604     -8.221473      2.371821
  H      -2.536612     -8.403187      3.201466
  H      -2.418416     -4.919572     -0.105993
  H      -4.116005     -4.421943      0.031903
  H      -3.339689     -7.016155      0.377603
  H      -4.709456     -6.359380      1.283885
  C      -2.262894     -2.854708      1.463393
  C      -1.857436     -2.400383      0.185414
  C      -1.285011     -1.148154      0.055997
  C      -1.137419     -0.295218      1.170545
  C      -1.515738     -0.723309      2.427947
  C      -2.019996     -2.029337      2.598360
  N      -2.446880     -2.550518      3.802160
  C      -2.012400     -2.043750      4.949540
  C      -0.716700     -1.457185      5.263457
  O      -0.491641     -0.730454      6.195717
  Cl      0.673468     -2.118128      4.275642
  C      -5.949795     -5.809322      4.552166
  C      -6.856855     -6.627686      5.265936
  C      -8.145371     -6.177977      5.511065
  C      -8.597368     -4.937215      5.019349
  C      -7.754927     -4.117107      4.292788
  C      -6.392527     -4.527762      4.118319
  N      -5.439318     -3.767947      3.443666
  C      -5.693897     -2.446976      3.261117
  C      -5.262645     -1.709071      2.113578
  O      -4.914296     -2.111540      1.026011
  Cl     -5.381810      0.083808      2.425191
  C      -1.358598     -5.126309      5.669794
  C      -0.120704     -5.461877      6.271114
  C       0.108042     -5.124443      7.590261
  C      -0.872902     -4.436198      8.342850
  C      -2.097937     -4.126555      7.789319
  C      -2.380466     -4.506164      6.456946
  N      -3.557737     -4.251064      5.793314
  C      -4.695509     -3.905079      6.431694
  C      -5.145020     -4.495006      7.664286
  O      -4.680727     -5.404711      8.311725
  Cl     -6.733919     -3.726941      8.168781
  H      -2.032732     -3.005224     -0.701459
  H      -0.991868     -0.794865     -0.933333
  H      -0.751562      0.714906      1.034928
  H      -1.459168     -0.047485      3.280587
  H      -2.652290     -2.130825      5.824224
  H      -6.536848     -7.596142      5.649065
  H      -8.830936     -6.803064      6.083312
  H      -9.627319     -4.609666      5.172878
  H      -7.778779     -3.170282      3.748920
  H      -6.336646     -1.914439      3.966006
  H       0.661474     -5.942423      5.685850
  H       1.071396     -5.355536      8.046035
  H      -0.651529     -4.130245      9.365597
  H      -2.837446     -3.570080      8.361825
  H      -5.399139     -3.263609      5.910371
  N      -6.810623     -7.152182      1.475717
  N      -7.983397     -6.550860      2.067571
  H      -8.698471     -7.218495      2.408370
  H      -7.952724     -5.732487      2.738598
  H      -8.312699     -6.073099      1.208191
76
Coordinates from ORCA-job orca E -7354.114637399643
  N      -2.910841     -4.018527      1.712386
  C      -3.259941     -4.868306      0.575608
  C      -3.618779     -6.243578      1.109579
  N      -2.916009     -6.463017      2.389437
  C      -3.384991     -7.733819      3.045327
  C      -4.074501     -7.412702      4.366118
  N      -4.673309     -6.104883      4.185955
  Mo     -3.429305     -4.610685      3.604042
  N      -1.683739     -5.334533      4.365930
  C      -0.783623     -6.173916      3.569982
  C      -1.433828     -6.445371      2.224357
  H      -0.591218     -7.108437      4.123732
  H       0.189328     -5.678912      3.417562
  H      -1.096005     -7.402726      1.798407
  H      -1.176330     -5.651857      1.518103
  H      -4.825854     -8.179603      4.598916
  H      -3.350586     -7.382339      5.195800
  H      -4.090907     -8.220131      2.360079
  H      -2.529924     -8.404614      3.195504
  H      -2.408028     -4.927300     -0.118510
  H      -4.104877     -4.426577      0.024868
  H      -3.330249     -7.025352      0.385465
  H      -4.695644     -6.344160      1.299496
  C      -2.252808     -2.855419      1.456163
  C      -1.843608     -2.401310      0.179216
  C      -1.271714     -1.148659      0.050585
  C      -1.128280     -0.294911      1.165116
  C      -1.510425     -0.722862      2.421531
  C      -2.014232     -2.029166      2.591696
  N      -2.444003     -2.548981      3.795421
  C      -2.012591     -2.041486      4.943460
  C      -0.717591     -1.454843      5.260102
  O      -0.493855     -0.726974      6.191795
  Cl      0.674783     -2.118874      4.275954
  C      -5.946879     -5.812442      4.537091
  C      -6.844243     -6.637084      5.254950
  C      -8.130339     -6.190062      5.516450
  C      -8.592183     -4.947749      5.040458
  C      -7.751688     -4.126125      4.306947
  C      -6.397044     -4.528095      4.112839
  N      -5.443816     -3.767795      3.440740
  C      -5.695653     -2.447311      3.265787
  C      -5.261347     -1.708883      2.118432
  O      -4.911607     -2.111101      1.031513
  Cl     -5.376348      0.085762      2.431824
  C      -1.362645     -5.125912      5.670018
  C      -0.127156     -5.462400      6.276066
  C       0.096620     -5.124880      7.596001
  C      -0.886812     -4.435745      8.344399
  C      -2.109527     -4.125099      7.786217
  C      -2.387354     -4.504905      6.452763
  N      -3.561762     -4.249883      5.784155
  C      -4.700442     -3.902610      6.421025
  C      -5.151693     -4.494062      7.652473
  O      -4.689709     -5.406089      8.298032
  Cl     -6.737453     -3.722543      8.159858
  H      -2.015993     -3.007940     -0.707131
  H      -0.975451     -0.795380     -0.937879
  H      -0.742783      0.715451      1.029940
  H      -1.457328     -0.046265      3.273745
  H      -2.655254     -2.127570      5.816529
  H      -6.518619     -7.605630      5.632574
  H      -8.807920     -6.818433      6.095503
  H      -9.620691     -4.630647      5.218276
  H      -7.847294     -3.167634      3.794610
  H      -6.335000     -1.916995      3.975597
  H       0.656800     -5.943643      5.693828
  H       1.058058     -5.356685      8.055473
  H      -0.669435     -4.129744      9.368007
  H      -2.850504     -3.568059      8.356196
  H      -5.401677     -3.258650      5.899995
  N      -6.803589     -7.075945      1.522938
  N      -8.016578     -6.533636      2.066336
  H      -8.704232     -7.224146      2.420451
  H      -7.979795     -5.721740      2.740482
  H      -8.412740     -6.081445      1.222099
76
Coordinates from ORCA-job orca E -7354.120595531302
  N      -2.901868     -4.021484      1.703995
  C      -3.248039     -4.873312      0.567457
  C      -3.609245     -6.246730      1.105545
  N      -2.905125     -6.463338      2.388029
  C      -3.376528     -7.735784      3.039208
  C      -4.072440     -7.414764      4.356327
  N      -4.671045     -6.106694      4.172808
  Mo     -3.426843     -4.611847      3.596887
  N      -1.683135     -5.334300      4.365306
  C      -0.778809     -6.174336      3.575085
  C      -1.422821     -6.447177      2.227042
  H      -0.588326     -7.108040      4.130944
  H       0.194561     -5.678708      3.426804
  H      -1.084666     -7.405008      1.802654
  H      -1.163193     -5.654167      1.520629
  H      -4.824496     -8.181849      4.585262
  H      -3.353400     -7.383317      5.190271
  H      -4.079446     -8.220807      2.350501
  H      -2.522127     -8.406868      3.190459
  H      -2.396862     -4.932583     -0.127903
  H      -4.094884     -4.432182      0.018443
  H      -3.324921     -7.035512      0.388110
  H      -4.686756     -6.331310      1.307472
  C      -2.244679     -2.857693      1.450128
  C      -1.832358     -2.404274      0.173610
  C      -1.261258     -1.151237      0.045071
  C      -1.121545     -0.296242      1.159436
  C      -1.506601     -0.723375      2.415212
  C      -2.009872     -2.030094      2.585600
  N      -2.442008     -2.548485      3.788969
  C      -2.013339     -2.040498      4.937627
  C      -0.718369     -1.454054      5.256495
  O      -0.494783     -0.725163      6.187400
  Cl      0.675719     -2.121029      4.274873
  C      -5.945432     -5.818023      4.524612
  C      -6.835816     -6.648309      5.244549
  C      -8.120344     -6.203747      5.518832
  C      -8.585907     -4.957548      5.056331
  C      -7.746129     -4.134572      4.322049
  C      -6.398495     -4.530378      4.109200
  N      -5.446036     -3.769780      3.439263
  C      -5.698047     -2.449357      3.271126
  C      -5.259516     -1.708326      2.126213
  O      -4.902906     -2.109067      1.041216
  Cl     -5.378862      0.087110      2.440769
  C      -1.366693     -5.125188      5.670599
  C      -0.133108     -5.461946      6.280711
  C       0.086768     -5.123599      7.601000
  C      -0.898661     -4.433125      8.345572
  C      -2.119287     -4.122161      7.783319
  C      -2.393515     -4.503306      6.449507
  N      -3.565829     -4.248761      5.777241
  C      -4.704401     -3.899749      6.414020
  C      -5.157320     -4.491414      7.644943
  O      -4.698625     -5.405379      8.289763
  Cl     -6.738288     -3.712411      8.156133
  H      -2.002034     -3.012846     -0.712039
  H      -0.962547     -0.798517     -0.942946
  H      -0.736623      0.714437      1.024237
  H      -1.456639     -0.045791      3.267053
  H      -2.658413     -2.125688      5.809397
  H      -6.506724     -7.617518      5.616468
  H      -8.791986     -6.835243      6.101736
  H      -9.612691     -4.648265      5.253979
  H      -7.913921     -3.166733      3.848414
  H      -6.338211     -1.923244      3.983548
  H       0.652360     -5.943912      5.701192
  H       1.046630     -5.355581      8.063589
  H      -0.684446     -4.126311      9.369545
  H      -2.861398     -3.564039      8.350844
  H      -5.403380     -3.253264      5.894141
  N      -6.798535     -6.999625      1.559456
  N      -8.041164     -6.508887      2.060173
  H      -8.699707     -7.219317      2.435132
  H      -8.001011     -5.705704      2.738874
  H      -8.496196     -6.087230      1.229268
76
Coordinates from ORCA-job orca E -7354.124478172326
  N      -2.894759     -4.025908      1.697763
  C      -3.237639     -4.879076      0.561231
  C      -3.602263     -6.251397      1.100621
  N      -2.895090     -6.464425      2.387159
  C      -3.368030     -7.738224      3.034830
  C      -4.069820     -7.416948      4.348904
  N      -4.669575     -6.109040      4.162121
  Mo     -3.424592     -4.613939      3.591326
  N      -1.682396     -5.334773      4.365276
  C      -0.774479     -6.174833      3.579207
  C      -1.413012     -6.448417      2.228532
  H      -0.585402     -7.108106      4.136066
  H       0.198763     -5.677922      3.435137
  H      -1.074263     -7.406361      1.805190
  H      -1.152197     -5.655534      1.522299
  H      -4.821521     -8.185223      4.574024
  H      -3.355628     -7.383660      5.186839
  H      -4.068698     -8.222258      2.343683
  H      -2.514230     -8.409563      3.187199
  H      -2.385974     -4.937011     -0.133925
  H      -4.086103     -4.439514      0.012642
  H      -3.323012     -7.046691      0.389279
  H      -4.679868     -6.321161      1.312199
  C      -2.238670     -2.861278      1.445029
  C      -1.824487     -2.408857      0.168546
  C      -1.254632     -1.155370      0.039542
  C      -1.117602     -0.299034      1.153487
  C      -1.504008     -0.724995      2.409007
  C      -2.006667     -2.032130      2.579962
  N      -2.440498     -2.549244      3.782828
  C      -2.014091     -2.040873      4.931982
  C      -0.719049     -1.454581      5.252599
  O      -0.495444     -0.724864      6.182720
  Cl      0.676525     -2.123526      4.272999
  C      -5.945250     -5.824689      4.514941
  C      -6.831596     -6.660485      5.234024
  C      -8.115860     -6.219483      5.516620
  C      -8.580278     -4.967511      5.066425
  C      -7.738203     -4.140332      4.337810
  C      -6.397055     -4.533047      4.107678
  N      -5.445443     -3.772095      3.438676
  C      -5.700924     -2.451914      3.275654
  C      -5.257524     -1.706126      2.135483
  O      -4.888676     -2.103759      1.053311
  Cl     -5.390710      0.088442      2.450692
  C      -1.370075     -5.124649      5.671488
  C      -0.137974     -5.461182      6.285010
  C       0.079081     -5.121425      7.605310
  C      -0.907737     -4.429211      8.346577
  C      -2.126603     -4.118481      7.780835
  C      -2.398313     -4.501929      6.447234
  N      -3.569383     -4.248060      5.772673
  C      -4.707179     -3.897041      6.409962
  C      -5.161827     -4.487569      7.640773
  O      -4.707460     -5.403398      8.285659
  Cl     -6.737779     -3.698923      8.154990
  H      -1.991946     -3.019032     -0.716425
  H      -0.954743     -0.803486     -0.948374
  H      -0.733519      0.711992      1.017867
  H      -1.456191     -0.046543      3.260432
  H      -2.660866     -2.125634      5.802840
  H      -6.500514     -7.631155      5.599480
  H      -8.783674     -6.855131      6.099435
  H      -9.605457     -4.663138      5.278207
  H      -7.976539     -3.167498      3.908283
  H      -6.347245     -1.932130      3.987248
  H       0.648743     -5.943898      5.707882
  H       1.037727     -5.353176      8.070444
  H      -0.695692     -4.120922      9.370497
  H      -2.869538     -3.558752      8.345803
  H      -5.404308     -3.248223      5.891413
  N      -6.790292     -6.924230      1.588789
  N      -8.058685     -6.478056      2.051431
  H      -8.684745     -7.205959      2.452880
  H      -8.017589     -5.683801      2.735767
  H      -8.562334     -6.088200      1.232760
76
Coordinates from ORCA-job orca E -7354.126590219330
  N      -2.890276     -4.032198      1.694640
  C      -3.230566     -4.886445      0.558382
  C      -3.598446     -6.257636      1.098387
  N      -2.886126     -6.466826      2.388055
  C      -3.359260     -7.741325      3.034264
  C      -4.066891     -7.419384      4.345369
  N      -4.668568     -6.112054      4.154962
  Mo     -3.421571     -4.617160      3.588977
  N      -1.680128     -5.335820      4.366522
  C      -0.769748     -6.175422      3.582424
  C      -1.404573     -6.449081      2.229712
  H      -0.581683     -7.108722      4.139230
  H       0.203038     -5.677120      3.441923
  H      -1.064737     -7.406594      1.806526
  H      -1.144185     -5.655568      1.524179
  H      -4.817701     -8.189422      4.566449
  H      -3.357467     -7.383907      5.187039
  H      -4.058278     -8.224801      2.341588
  H      -2.506287     -8.413071      3.188699
  H      -2.377767     -4.943369     -0.135387
  H      -4.079712     -4.449573      0.008391
  H      -3.325873     -7.058764      0.391849
  H      -4.674882     -6.316232      1.318429
  C      -2.235689     -2.866717      1.441143
  C      -1.821147     -2.415744      0.164282
  C      -1.253293     -1.161582      0.033849
  C      -1.118039     -0.303373      1.146755
  C      -1.503869     -0.727957      2.402638
  C      -2.005125     -2.035615      2.574965
  N      -2.439237     -2.551552      3.777708
  C      -2.014828     -2.041977      4.926902
  C      -0.720991     -1.453100      5.248395
  O      -0.499306     -0.721852      6.177678
  Cl      0.677048     -2.120745      4.271215
  C      -5.946126     -5.831247      4.508486
  C      -6.832777     -6.673495      5.220676
  C      -8.119145     -6.238023      5.503258
  C      -8.577394     -4.978928      5.064528
  C      -7.728181     -4.141896      4.351922
  C      -6.392369     -4.534378      4.109160
  N      -5.440482     -3.773348      3.440455
  C      -5.701920     -2.454002      3.279521
  C      -5.254214     -1.702685      2.145187
  O      -4.871275     -2.096292      1.066351
  Cl     -5.407592      0.089524      2.460453
  C      -1.370300     -5.123977      5.673009
  C      -0.138972     -5.459200      6.288817
  C       0.076400     -5.117445      7.608831
  C      -0.911336     -4.423877      8.347717
  C      -2.129268     -4.114530      7.779549
  C      -2.399498     -4.501079      6.446614
  N      -3.570515     -4.248941      5.771207
  C      -4.707342     -3.896882      6.409586
  C      -5.162158     -4.486223      7.640607
  O      -4.711167     -5.403945      8.285066
  Cl     -6.735037     -3.690398      8.157359
  H      -1.986703     -3.027343     -0.720049
  H      -0.953659     -0.810866     -0.954470
  H      -0.735555      0.708153      1.010000
  H      -1.457186     -0.048429      3.253404
  H      -2.662066     -2.128021      5.797383
  H      -6.501633     -7.646993      5.578207
  H      -8.787177     -6.879942      6.078978
  H      -9.601793     -4.675945      5.281203
  H      -8.030536     -3.169382      3.965668
  H      -6.359715     -1.941737      3.985768
  H       0.648861     -5.942286      5.713592
  H       1.034441     -5.348130      8.075658
  H      -0.700303     -4.113499      9.371182
  H      -2.872941     -3.553158      8.341996
  H      -5.404149     -3.246744      5.892517
  N      -6.779668     -6.844468      1.617943
  N      -8.074180     -6.439938      2.042491
  H      -8.665110     -7.184063      2.470612
  H      -8.032939     -5.654020      2.733143
  H      -8.613749     -6.075791      1.235063
76
Coordinates from ORCA-job orca E -7354.127335226699
  N      -2.890200     -4.041714      1.696917
  C      -3.231576     -4.897159      0.561515
  C      -3.598544     -6.268641      1.101927
  N      -2.881059     -6.472891      2.392895
  C      -3.351393     -7.746516      3.041700
  C      -4.067530     -7.421707      4.347873
  N      -4.670217     -6.115098      4.151928
  Mo     -3.418626     -4.621887      3.592704
  N      -1.674348     -5.335877      4.367967
  C      -0.764478     -6.175872      3.583567
  C      -1.400336     -6.451725      2.231708
  H      -0.575795     -7.108454      4.141218
  H       0.207719     -5.677118      3.442030
  H      -1.059182     -7.409040      1.809145
  H      -1.142866     -5.658271      1.525253
  H      -4.818334     -8.192909      4.564529
  H      -3.364055     -7.383510      5.194356
  H      -4.046157     -8.234124      2.347694
  H      -2.497725     -8.415943      3.202847
  H      -2.378815     -4.953549     -0.132032
  H      -4.081899     -4.463223      0.010946
  H      -3.328331     -7.072480      0.398036
  H      -4.673807     -6.328281      1.324615
  C      -2.235450     -2.876733      1.440942
  C      -1.819170     -2.429232      0.163497
  C      -1.252012     -1.175275      0.030153
  C      -1.118813     -0.313545      1.140491
  C      -1.505380     -0.734722      2.397072
  C      -2.005496     -2.042374      2.572757
  N      -2.440670     -2.555215      3.776101
  C      -2.022861     -2.040793      4.925195
  C      -0.735138     -1.440350      5.250261
  O      -0.524803     -0.703693      6.177960
  Cl      0.672812     -2.100614      4.284531
  C      -5.949632     -5.836016      4.502427
  C      -6.842172     -6.687575      5.196902
  C      -8.133030     -6.259936      5.468211
  C      -8.581134     -4.993397      5.040866
  C      -7.721175     -4.139797      4.357599
  C      -6.387006     -4.532335      4.112509
  N      -5.431709     -3.771053      3.447923
  C      -5.696451     -2.452002      3.287366
  C      -5.246397     -1.697033      2.157350
  O      -4.856709     -2.087330      1.079525
  Cl     -5.410192      0.093330      2.474691
  C      -1.361534     -5.118897      5.672873
  C      -0.127649     -5.447333      6.286820
  C       0.089449     -5.100671      7.605310
  C      -0.899126     -4.408742      8.344556
  C      -2.119668     -4.106485      7.778213
  C      -2.391241     -4.498570      6.447336
  N      -3.565981     -4.255282      5.774982
  C      -4.702727     -3.909191      6.416981
  C      -5.150347     -4.500022      7.649513
  O      -4.693211     -5.415265      8.293049
  Cl     -6.727824     -3.712639      8.169524
  H      -1.982453     -3.042976     -0.719654
  H      -0.951419     -0.827580     -0.958889
  H      -0.737357      0.697931      1.001287
  H      -1.459939     -0.052546      3.245618
  H      -2.672280     -2.130363      5.793595
  H      -6.513435     -7.665809      5.543820
  H      -8.807430     -6.911242      6.025901
  H      -9.606737     -4.689270      5.250003
  H      -8.066151     -3.168407      4.002918
  H      -6.364411     -1.945205      3.987481
  H       0.660944     -5.929059      5.711474
  H       1.049450     -5.326087      8.070623
  H      -0.686561     -4.094116      9.366351
  H      -2.864662     -3.546008      8.339972
  H      -5.406055     -3.264390      5.901957
  N      -6.782781     -6.774558      1.651171
  N      -8.098003     -6.391612      2.035673
  H      -8.670491     -7.143720      2.474974
  H      -8.054970     -5.613602      2.734167
  H      -8.647847     -6.031177      1.233522
76
Coordinates from ORCA-job orca E -7354.127508266321
  N      -2.891959     -4.049249      1.700072
  C      -3.236886     -4.904326      0.564810
  C      -3.597736     -6.278404      1.103949
  N      -2.882231     -6.478747      2.395674
  C      -3.349371     -7.750847      3.049332
  C      -4.074040     -7.422548      4.350869
  N      -4.676178     -6.116162      4.150805
  Mo     -3.419042     -4.625734      3.596592
  N      -1.669726     -5.335074      4.365408
  C      -0.762142     -6.176008      3.580042
  C      -1.401933     -6.455995      2.231231
  H      -0.571070     -7.107029      4.139702
  H       0.209590     -5.677695      3.433345
  H      -1.060281     -7.414184      1.810829
  H      -1.146889     -5.664451      1.521780
  H      -4.826328     -8.193282      4.564488
  H      -3.375379     -7.382901      5.201541
  H      -4.037668     -8.247029      2.354218
  H      -2.492532     -8.414543      3.219392
  H      -2.386838     -4.958265     -0.131729
  H      -4.090241     -4.471105      0.018567
  H      -3.320086     -7.080361      0.400721
  H      -4.672070     -6.348709      1.319177
  C      -2.234478     -2.885887      1.443438
  C      -1.813755     -2.441222      0.166159
  C      -1.245256     -1.188111      0.031519
  C      -1.115357     -0.323627      1.140037
  C      -1.505993     -0.741691      2.396452
  C      -2.006359     -2.049001      2.574205
  N      -2.445618     -2.558411      3.777702
  C      -2.037970     -2.038628      4.927724
  C      -0.758188     -1.424940      5.259998
  O      -0.563449     -0.682782      6.186830
  Cl      0.662869     -2.076547      4.310569
  C      -5.957216     -5.835173      4.497213
  C      -6.856522     -6.689063      5.180130
  C      -8.149506     -6.262322      5.444425
  C      -8.592115     -4.992387      5.021900
  C      -7.720888     -4.133414      4.352120
  C      -6.388389     -4.528386      4.111208
  N      -5.428219     -3.767789      3.452540
  C      -5.691739     -2.448123      3.293923
  C      -5.239832     -1.690558      2.166917
  O      -4.849782     -2.077802      1.087816
  Cl     -5.401123      0.099032      2.489286
  C      -1.351023     -5.112386      5.668012
  C      -0.112446     -5.432111      6.276888
  C       0.108797     -5.080872      7.593527
  C      -0.880411     -4.393229      8.335872
  C      -2.105720     -4.099997      7.774785
  C      -2.380841     -4.496567      6.446074
  N      -3.561339     -4.265400      5.779236
  C      -4.699651     -3.930692      6.424571
  C      -5.136937     -4.523361      7.659872
  O      -4.666001     -5.429853      8.305649
  Cl     -6.724749     -3.755977      8.180078
  H      -1.974691     -3.056571     -0.716251
  H      -0.941334     -0.843087     -0.957566
  H      -0.733674      0.687605      0.999579
  H      -1.463620     -0.056568      3.242858
  H      -2.692183     -2.131104      5.792023
  H      -6.530702     -7.669988      5.521985
  H      -8.828754     -6.917068      5.991369
  H      -9.618208     -4.684272      5.223875
  H      -8.072873     -3.164252      4.010933
  H      -6.363141     -1.943803      3.992491
  H       0.676041     -5.911071      5.698935
  H       1.072275     -5.299748      8.054849
  H      -0.664979     -4.075085      9.355932
  H      -2.852024     -3.543495      8.338894
  H      -5.413522     -3.297396      5.910058
  N      -6.783718     -6.768461      1.692916
  N      -8.105288     -6.365928      2.036185
  H      -8.688739     -7.108601      2.474373
  H      -8.068226     -5.583372      2.731977
  H      -8.634985     -6.002385      1.221881
76
Coordinates from ORCA-job orca E -7354.127531392047
  N      -2.895123     -4.056398      1.706215
  C      -3.243570     -4.913400      0.574009
  C      -3.596352     -6.291120      1.111190
  N      -2.881420     -6.486627      2.401839
  C      -3.343279     -7.756084      3.061583
  C      -4.076107     -7.423500      4.356747
  N      -4.677561     -6.118319      4.149717
  Mo     -3.416864     -4.628421      3.603145
  N      -1.664393     -5.334454      4.367929
  C      -0.758667     -6.177185      3.581795
  C      -1.401158     -6.460612      2.234990
  H      -0.567234     -7.107097      4.143296
  H       0.213405     -5.680460      3.431968
  H      -1.057148     -7.418516      1.815560
  H      -1.148684     -5.669345      1.524384
  H      -4.828788     -8.194398      4.568380
  H      -3.382735     -7.380502      5.211598
  H      -4.024103     -8.262825      2.366328
  H      -2.482889     -8.412618      3.241884
  H      -2.396914     -4.965734     -0.126548
  H      -4.100447     -4.481676      0.032244
  H      -3.311312     -7.088906      0.405444
  H      -4.672421     -6.373331      1.321022
  C      -2.236529     -2.894481      1.445797
  C      -1.815951     -2.452881      0.167572
  C      -1.247428     -1.200108      0.029885
  C      -1.117610     -0.332432      1.135949
  C      -1.508095     -0.747504      2.393225
  C      -2.007301     -2.054797      2.574520
  N      -2.446808     -2.561142      3.779159
  C      -2.044295     -2.036449      4.928611
  C      -0.770074     -1.412499      5.262976
  O      -0.585496     -0.665114      6.187613
  Cl      0.658392     -2.058380      4.323839
  C      -5.957948     -5.837649      4.489981
  C      -6.860719     -6.697597      5.158574
  C      -8.154989     -6.274514      5.416011
  C      -8.590675     -5.001557      4.998831
  C      -7.723063     -4.135971      4.344546
  C      -6.385669     -4.528086      4.108959
  N      -5.421874     -3.764403      3.458158
  C      -5.685634     -2.444342      3.300499
  C      -5.232985     -1.683619      2.177043
  O      -4.842345     -2.066276      1.096685
  Cl     -5.394496      0.105042      2.505688
  C      -1.340243     -5.105929      5.668353
  C      -0.098126     -5.418171      6.273672
  C       0.125870     -5.062307      7.588878
  C      -0.864353     -4.378182      8.333028
  C      -2.093317     -4.092542      7.775478
  C      -2.370284     -4.492924      6.448375
  N      -3.554543     -4.271478      5.784487
  C      -4.694013     -3.945574      6.433187
  C      -5.123792     -4.544214      7.668025
  O      -4.642464     -5.446021      8.312558
  Cl     -6.720577     -3.796528      8.189040
  H      -1.977535     -3.069603     -0.713715
  H      -0.943818     -0.857676     -0.960074
  H      -0.736908      0.678851      0.992956
  H      -1.467120     -0.059393      3.237214
  H      -2.700860     -2.129005      5.790369
  H      -6.534846     -7.680484      5.494338
  H      -8.838919     -6.933224      5.951049
  H      -9.616771     -4.686952      5.192489
  H      -8.089979     -3.158446      4.014256
  H      -6.362347     -1.942535      3.995289
  H       0.690619     -5.895206      5.694410
  H       1.091990     -5.275477      8.047448
  H      -0.647323     -4.056867      9.351881
  H      -2.841232     -3.539736      8.341151
  H      -5.413922     -3.317270      5.921444
  N      -6.807502     -6.733930      1.696269
  N      -8.135321     -6.330147      2.025972
  H      -8.726407     -7.073075      2.450771
  H      -8.093434     -5.558468      2.736373
  H      -8.649757     -5.945770      1.210977
76
Coordinates from ORCA-job orca E -7354.127652799662
  N      -2.896098     -4.049545      1.704827
  C      -3.242002     -4.905167      0.571698
  C      -3.594903     -6.282483      1.107419
  N      -2.883878     -6.481865      2.397194
  C      -3.347439     -7.750777      3.058156
  C      -4.072225     -7.418900      4.358170
  N      -4.674782     -6.114193      4.154708
  Mo     -3.415880     -4.622515      3.601963
  N      -1.666605     -5.335161      4.368191
  C      -0.762623     -6.180343      3.581997
  C      -1.403170     -6.457031      2.232896
  H      -0.577670     -7.112711      4.141588
  H       0.212611     -5.688830      3.435753
  H      -1.058446     -7.412968      1.809521
  H      -1.148567     -5.662209      1.527040
  H      -4.823702     -8.189423      4.575062
  H      -3.373083     -7.376473      5.208045
  H      -4.033508     -8.255113      2.366629
  H      -2.487708     -8.409229      3.233067
  H      -2.394069     -4.956873     -0.127334
  H      -4.096928     -4.471875      0.028569
  H      -3.310247     -7.077604      0.398208
  H      -4.669628     -6.362824      1.314196
  C      -2.238832     -2.886853      1.444137
  C      -1.822284     -2.442513      0.165663
  C      -1.254118     -1.189294      0.029375
  C      -1.121155     -0.324281      1.137119
  C      -1.508369     -0.742219      2.394676
  C      -2.007160     -2.049744      2.573885
  N      -2.442587     -2.559928      3.778692
  C      -2.032242     -2.038641      4.927502
  C      -0.753446     -1.421411      5.255606
  O      -0.559687     -0.675880      6.179825
  Cl      0.666425     -2.072768      4.306095
  C      -5.956659     -5.833532      4.494495
  C      -6.860367     -6.689884      5.167470
  C      -8.155932     -6.266218      5.424270
  C      -8.596409     -4.996405      4.999892
  C      -7.723251     -4.136314      4.337351
  C      -6.387054     -4.527581      4.107950
  N      -5.423409     -3.763609      3.454816
  C      -5.690230     -2.444737      3.295002
  C      -5.238535     -1.682734      2.171551
  O      -4.847727     -2.063979      1.090582
  Cl     -5.402524      0.105588      2.500870
  C      -1.344851     -5.111534      5.670143
  C      -0.105364     -5.431243      6.277331
  C       0.117496     -5.080737      7.594262
  C      -0.871353     -4.394939      8.338757
  C      -2.097893     -4.102013      7.779658
  C      -2.373987     -4.496238      6.450291
  N      -3.554968     -4.265162      5.784227
  C      -4.694848     -3.933373      6.427874
  C      -5.132906     -4.528584      7.661684
  O      -4.658595     -5.431964      8.309191
  Cl     -6.728535     -3.775120      8.173195
  H      -1.986908     -3.057248     -0.716600
  H      -0.953317     -0.844540     -0.960648
  H      -0.740424      0.687128      0.995509
  H      -1.464998     -0.056227      3.240241
  H      -2.684231     -2.130494      5.792849
  H      -6.532830     -7.670568      5.508364
  H      -8.838569     -6.923578      5.962810
  H      -9.623055     -4.681136      5.188742
  H      -8.080322     -3.162326      3.998733
  H      -6.369183     -1.944063      3.988516
  H       0.682396     -5.909769      5.698029
  H       1.081772     -5.299673      8.054083
  H      -0.655174     -4.078119      9.359346
  H      -2.844512     -3.548354      8.346003
  H      -5.408200     -3.300620      5.912463
  N      -6.784572     -6.767125      1.736256
  N      -8.116528     -6.361271      2.040672
  H      -8.708298     -7.098392      2.475939
  H      -8.092089     -5.570032      2.732548
  H      -8.621639     -6.000211      1.209934
76
Coordinates from ORCA-job orca E -7354.127676777838
  N      -2.896783     -4.052680      1.703357
  C      -3.245508     -4.908920      0.569773
  C      -3.596518     -6.287464      1.107247
  N      -2.884835     -6.483686      2.397768
  C      -3.347444     -7.752979      3.057440
  C      -4.078276     -7.421265      4.354552
  N      -4.678120     -6.114962      4.151359
  Mo     -3.419021     -4.623628      3.602146
  N      -1.666507     -5.332890      4.366195
  C      -0.763599     -6.179050      3.581337
  C      -1.404492     -6.457526      2.233471
  H      -0.578686     -7.110259      4.142713
  H       0.211733     -5.688574      3.433447
  H      -1.059158     -7.413532      1.810897
  H      -1.151529     -5.663202      1.526303
  H      -4.832098     -8.190972      4.567536
  H      -3.382614     -7.381205      5.207938
  H      -4.028748     -8.259728      2.362457
  H      -2.486641     -8.408969      3.236445
  H      -2.399725     -4.960411     -0.131901
  H      -4.103509     -4.476542      0.030100
  H      -3.310696     -7.082553      0.399247
  H      -4.672516     -6.370146      1.313786
  C      -2.235715     -2.891530      1.444374
  C      -1.812794     -2.449738      0.166443
  C      -1.241080     -1.198371      0.029828
  C      -1.111271     -0.331527      1.136589
  C      -1.505050     -0.746412      2.393476
  C      -2.006463     -2.052670      2.573942
  N      -2.447744     -2.559222      3.778760
  C      -2.045282     -2.035039      4.928913
  C      -0.771016     -1.411315      5.263459
  O      -0.586994     -0.661304      6.186112
  Cl      0.658407     -2.060648      4.325706
  C      -5.959081     -5.833583      4.492429
  C      -6.860911     -6.690124      5.168626
  C      -8.154783     -6.266836      5.429064
  C      -8.595540     -4.997003      5.006358
  C      -7.726440     -4.134838      4.342638
  C      -6.388715     -4.525573      4.108499
  N      -5.425008     -3.762376      3.457894
  C      -5.688206     -2.442573      3.301476
  C      -5.233832     -1.681605      2.177957
  O      -4.843792     -2.063546      1.097101
  Cl     -5.391879      0.107716      2.507950
  C      -1.342149     -5.106183      5.666794
  C      -0.100519     -5.421458      6.271652
  C       0.124196     -5.068268      7.587447
  C      -0.864898     -4.383930      8.332684
  C      -2.093456     -4.095132      7.775674
  C      -2.371249     -4.492413      6.447708
  N      -3.555181     -4.268528      5.783883
  C      -4.695372     -3.943766      6.431548
  C      -5.124524     -4.542024      7.667026
  O      -4.640802     -5.441928      8.313030
  Cl     -6.722993     -3.799395      8.185242
  H      -1.974802     -3.066190     -0.715152
  H      -0.934726     -0.856149     -0.959776
  H      -0.727934      0.678604      0.994364
  H      -1.464257     -0.058635      3.237652
  H      -2.701917     -2.128583      5.791432
  H      -6.534210     -7.672413      5.506920
  H      -8.837333     -6.925044      5.968208
  H      -9.622574     -4.685267      5.196182
  H      -8.077515     -3.166164      3.999759
  H      -6.362881     -1.939657      3.997412
  H       0.687143     -5.899099      5.691456
  H       1.090097     -5.283815      8.045469
  H      -0.647654     -4.065224      9.352269
  H      -2.840550     -3.543003      8.342864
  H      -5.415638     -3.316193      5.918004
  N      -6.787806     -6.755208      1.744870
  N      -8.124363     -6.351310      2.032208
  H      -8.728923     -7.090676      2.445709
  H      -8.110177     -5.565506      2.725626
  H      -8.611144     -5.982760      1.195419
76
Coordinates from ORCA-job orca E -7354.127714857379
  N      -2.892854     -4.040256      1.703479
  C      -3.237429     -4.894648      0.568514
  C      -3.595470     -6.272535      1.102667
  N      -2.887724     -6.476049      2.391259
  C      -3.356595     -7.744634      3.047962
  C      -4.067710     -7.413376      4.355235
  N      -4.669618     -6.107615      4.157692
  Mo     -3.415540     -4.613864      3.599229
  N      -1.670450     -5.334255      4.367524
  C      -0.768232     -6.182247      3.582997
  C      -1.406541     -6.453886      2.231992
  H      -0.588503     -7.116006      4.141970
  H       0.209400     -5.694666      3.439444
  H      -1.062308     -7.408996      1.806529
  H      -1.148350     -5.657197      1.529299
  H      -4.817489     -8.183505      4.580288
  H      -3.359658     -7.371988      5.198188
  H      -4.053469     -8.238523      2.359459
  H      -2.500917     -8.411202      3.211585
  H      -2.387205     -4.947649     -0.128377
  H      -4.090010     -4.457722      0.023536
  H      -3.314066     -7.065729      0.390192
  H      -4.672408     -6.349163      1.309416
  C      -2.236060     -2.876521      1.444101
  C      -1.819908     -2.429873      0.166077
  C      -1.250806     -1.176660      0.031887
  C      -1.116588     -0.313898      1.141255
  C      -1.504197     -0.733849      2.398251
  C      -2.004489     -2.041195      2.575114
  N      -2.439138     -2.553604      3.779618
  C      -2.021321     -2.036493      4.928314
  C      -0.736222     -1.430307      5.251784
  O      -0.530824     -0.688989      6.176898
  Cl      0.674131     -2.089244      4.290508
  C      -5.950767     -5.828203      4.494200
  C      -6.851452     -6.684176      5.171969
  C      -8.145511     -6.261708      5.432230
  C      -8.589885     -4.994088      5.004953
  C      -7.721133     -4.133436      4.335384
  C      -6.385614     -4.523905      4.104675
  N      -5.426083     -3.760327      3.448015
  C      -5.695558     -2.443088      3.284920
  C      -5.242802     -1.683432      2.159635
  O      -4.849595     -2.066868      1.080655
  Cl     -5.410171      0.105894      2.483806
  C      -1.351902     -5.116051      5.671209
  C      -0.115772     -5.444461      6.280694
  C       0.105417     -5.100135      7.599379
  C      -0.882113     -4.412019      8.343606
  C      -2.105275     -4.109839      7.782037
  C      -2.379833     -4.497000      6.450277
  N      -3.556395     -4.254458      5.781025
  C      -4.697162     -3.916505      6.419909
  C      -5.144678     -4.511356      7.650752
  O      -4.676945     -5.417497      8.299919
  Cl     -6.739146     -3.752239      8.154785
  H      -1.985467     -3.043077     -0.717117
  H      -0.950004     -0.830259     -0.957772
  H      -0.734468      0.697223      1.001210
  H      -1.459880     -0.050180      3.245613
  H      -2.670208     -2.125915      5.796895
  H      -6.521377     -7.663571      5.514250
  H      -8.825743     -6.918474      5.975139
  H      -9.616519     -4.680038      5.193866
  H      -8.077107     -3.167240      3.992177
  H      -6.374378     -1.940072      3.977012
  H       0.671034     -5.925088      5.701747
  H       1.067421     -5.325731      8.060764
  H      -0.667667     -4.100664      9.366104
  H      -2.850219     -3.554532      8.348895
  H      -5.403121     -3.277010      5.901455
  N      -6.776652     -6.817348      1.790604
  N      -8.112756     -6.406984      2.067570
  H      -8.711745     -7.132815      2.512039
  H      -8.109303     -5.598874      2.737806
  H      -8.603485     -6.072686      1.218613
76
Coordinates from ORCA-job orca E -7354.127744431717
  N      -2.892124     -4.048982      1.704802
  C      -3.235881     -4.904072      0.571761
  C      -3.590869     -6.282148      1.105978
  N      -2.881662     -6.484585      2.394215
  C      -3.347468     -7.752278      3.054364
  C      -4.069335     -7.420326      4.356212
  N      -4.669678     -6.114422      4.155954
  Mo     -3.413541     -4.620907      3.601244
  N      -1.665602     -5.336219      4.367884
  C      -0.762432     -6.184591      3.584067
  C      -1.400638     -6.459440      2.233679
  H      -0.582131     -7.117207      4.144814
  H       0.215026     -5.696852      3.439726
  H      -1.054828     -7.414507      1.809165
  H      -1.144903     -5.663207      1.529698
  H      -4.821247     -8.190032      4.574305
  H      -3.367369     -7.380658      5.204007
  H      -4.035638     -8.254109      2.363373
  H      -2.489471     -8.413152      3.228298
  H      -2.386057     -4.957245     -0.125151
  H      -4.088038     -4.469455      0.025577
  H      -3.309872     -7.073570      0.391302
  H      -4.666353     -6.359637      1.311851
  C      -2.236820     -2.884928      1.444143
  C      -1.819909     -2.439976      0.166198
  C      -1.255611     -1.184857      0.030254
  C      -1.126801     -0.319049      1.137786
  C      -1.513920     -0.738224      2.395022
  C      -2.009118     -2.046913      2.573741
  N      -2.444237     -2.558487      3.778247
  C      -2.033206     -2.036331      4.926663
  C      -0.754754     -1.417594      5.252533
  O      -0.560060     -0.670307      6.175266
  Cl      0.664679     -2.069243      4.301408
  C      -5.951389     -5.833673      4.493436
  C      -6.853714     -6.687878      5.172604
  C      -8.146956     -6.262289      5.436000
  C      -8.588249     -4.992833      5.010781
  C      -7.718805     -4.135925      4.339509
  C      -6.384098     -4.528999      4.105873
  N      -5.423076     -3.764490      3.450332
  C      -5.694156     -2.447636      3.287126
  C      -5.241374     -1.686049      2.162661
  O      -4.848299     -2.067588      1.082436
  Cl     -5.411597      0.103002      2.489220
  C      -1.345645     -5.114216      5.670858
  C      -0.107911     -5.436699      6.279629
  C       0.113163     -5.088635      7.597673
  C      -0.875869     -4.402895      8.341698
  C      -2.100904     -4.106843      7.780804
  C      -2.374932     -4.497970      6.450158
  N      -3.553903     -4.262934      5.782172
  C      -4.694915     -3.931259      6.423734
  C      -5.135591     -4.529738      7.655010
  O      -4.660642     -5.433528      8.301982
  Cl     -6.733370     -3.781665      8.163304
  H      -1.981287     -3.055620     -0.716012
  H      -0.954620     -0.839404     -0.959360
  H      -0.749399      0.693651      0.996065
  H      -1.473648     -0.052347      3.240863
  H      -2.683316     -2.129021      5.792850
  H      -6.524810     -7.667335      5.514798
  H      -8.826870     -6.916127      5.981943
  H      -9.613037     -4.672813      5.203258
  H      -8.073928     -3.159513      3.999827
  H      -6.377390     -1.946862      3.976543
  H       0.680350     -5.915299      5.701022
  H       1.076485     -5.309456      8.058557
  H      -0.661419     -4.088659      9.363489
  H      -2.847693     -3.553310      8.347057
  H      -5.405014     -3.294604      5.908268
  N      -6.782647     -6.763213      1.787604
  N      -8.125111     -6.358127      2.043950
  H      -8.725772     -7.092097      2.472593
  H      -8.127846     -5.557258      2.725140
  H      -8.603517     -6.012908      1.190944
76
Coordinates from ORCA-job orca E -7354.127782946730
  N      -2.891190     -4.044580      1.702875
  C      -3.233267     -4.899870      0.568782
  C      -3.590980     -6.277176      1.102985
  N      -2.881159     -6.480698      2.391598
  C      -3.348518     -7.749094      3.048948
  C      -4.063297     -7.418652      4.354834
  N      -4.664149     -6.112482      4.158608
  Mo     -3.412398     -4.616478      3.599512
  N      -1.667838     -5.336140      4.369989
  C      -0.764830     -6.184822      3.586596
  C      -1.400094     -6.455261      2.234035
  H      -0.587919     -7.119071      4.145574
  H       0.213855     -5.698736      3.445857
  H      -1.053524     -7.409071      1.807319
  H      -1.143176     -5.656730      1.533104
  H      -4.813950     -8.188557      4.576232
  H      -3.356723     -7.379831      5.198754
  H      -4.042065     -8.245020      2.359079
  H      -2.492624     -8.414467      3.216405
  H      -2.381458     -4.954079     -0.125681
  H      -4.083809     -4.465423      0.019898
  H      -3.312715     -7.069071      0.387953
  H      -4.666917     -6.352338      1.311209
  C      -2.237386     -2.879289      1.442305
  C      -1.822364     -2.433115      0.164165
  C      -1.258163     -1.177951      0.028571
  C      -1.127582     -0.313526      1.136911
  C      -1.513168     -0.733933      2.394454
  C      -2.008539     -2.042513      2.572364
  N      -2.440878     -2.556042      3.777336
  C      -2.023417     -2.036514      4.924987
  C      -0.740747     -1.424741      5.245862
  O      -0.537023     -0.680614      6.169204
  Cl      0.671298     -2.081650      4.285358
  C      -5.945380     -5.833887      4.497120
  C      -6.843839     -6.689676      5.180248
  C      -8.137728     -6.268546      5.444974
  C      -8.583963     -5.001935      5.018191
  C      -7.718023     -4.141358      4.343510
  C      -6.381856     -4.530285      4.108372
  N      -5.424099     -3.764650      3.449289
  C      -5.697276     -2.448881      3.282708
  C      -5.246228     -1.690256      2.155540
  O      -4.853584     -2.074817      1.076680
  Cl     -5.418850      0.099386      2.476756
  C      -1.351398     -5.118305      5.674304
  C      -0.116768     -5.447429      6.286151
  C       0.102081     -5.102878      7.605367
  C      -0.885937     -4.413879      8.347735
  C      -2.107926     -4.111219      7.783866
  C      -2.380230     -4.498894      6.451795
  N      -3.555488     -4.255250      5.780659
  C      -4.696065     -3.916364      6.418909
  C      -5.144091     -4.511744      7.649173
  O      -4.677904     -5.419776      8.296481
  Cl     -6.737514     -3.752632      8.153506
  H      -1.984656     -3.048156     -0.718350
  H      -0.958323     -0.831551     -0.961210
  H      -0.749740      0.698911      0.995684
  H      -1.470803     -0.049545      3.241397
  H      -2.669910     -2.128787      5.794514
  H      -6.511861     -7.668055      5.523068
  H      -8.814787     -6.924198      5.993077
  H      -9.609635     -4.686787      5.212155
  H      -8.075067     -3.170986      4.003067
  H      -6.379656     -1.946110      3.971068
  H       0.670989     -5.928400      5.708914
  H       1.063110     -5.328739      8.068608
  H      -0.672852     -4.102119      9.370531
  H      -2.853264     -3.554596      8.348907
  H      -5.400089     -3.274241      5.901327
  N      -6.778586     -6.763113      1.803709
  N      -8.125503     -6.365774      2.049814
  H      -8.727301     -7.101002      2.475450
  H      -8.138179     -5.561791      2.725078
  H      -8.597694     -6.028721      1.190660
76
Coordinates from ORCA-job orca E -7354.127811281838
  N      -2.888706     -4.050397      1.704804
  C      -3.232131     -4.904842      0.571064
  C      -3.592171     -6.282084      1.104444
  N      -2.880446     -6.487031      2.393006
  C      -3.347674     -7.755628      3.049552
  C      -4.068730     -7.424192      4.352329
  N      -4.667629     -6.117199      4.153889
  Mo     -3.413831     -4.622489      3.600474
  N      -1.665381     -5.337227      4.367403
  C      -0.763009     -6.187126      3.584990
  C      -1.399673     -6.461651      2.234091
  H      -0.584351     -7.119564      4.146550
  H       0.215097     -5.700642      3.441313
  H      -1.053344     -7.416400      1.809316
  H      -1.143834     -5.664886      1.530663
  H      -4.821153     -8.193339      4.570280
  H      -3.366377     -7.385878      5.200121
  H      -4.037007     -8.254334      2.357126
  H      -2.490811     -8.418852      3.221218
  H      -2.381367     -4.960566     -0.124913
  H      -4.083707     -4.468934      0.024014
  H      -3.316926     -7.073886      0.388308
  H      -4.667973     -6.353600      1.316509
  C      -2.232398     -2.886278      1.445893
  C      -1.811093     -2.442845      0.168555
  C      -1.246515     -1.187867      0.032344
  C      -1.122029     -0.320442      1.139084
  C      -1.513453     -0.738129      2.395804
  C      -2.008359     -2.046933      2.575124
  N      -2.446846     -2.557231      3.779429
  C      -2.040014     -2.033998      4.928568
  C      -0.764136     -1.411246      5.257370
  O      -0.573995     -0.661746      6.178985
  Cl      0.660049     -2.061634      4.311417
  C      -5.949392     -5.837588      4.490969
  C      -6.849745     -6.692983      5.171862
  C      -8.141484     -6.267803      5.439124
  C      -8.582560     -4.997713      5.017359
  C      -7.717521     -4.139467      4.345045
  C      -6.383011     -4.531635      4.106096
  N      -5.424309     -3.766472      3.450195
  C      -5.695565     -2.450592      3.285553
  C      -5.241234     -1.692198      2.159579
  O      -4.845883     -2.076691      1.081900
  Cl     -5.412295      0.097998      2.480833
  C      -1.344972     -5.112996      5.669726
  C      -0.106898     -5.433808      6.278823
  C       0.114443     -5.082673      7.595935
  C      -0.874636     -4.395434      8.338414
  C      -2.100050     -4.101121      7.777157
  C      -2.374365     -4.495562      6.447671
  N      -3.554062     -4.263334      5.779471
  C      -4.694733     -3.932449      6.423463
  C      -5.131848     -4.531978      7.655388
  O      -4.655054     -5.436498      8.300223
  Cl     -6.728781     -3.784693      8.168909
  H      -1.968871     -3.060238     -0.713179
  H      -0.941822     -0.843823     -0.956998
  H      -0.744471      0.692039      0.996953
  H      -1.476234     -0.051310      3.240991
  H      -2.692371     -2.128728      5.794155
  H      -6.521882     -7.674432      5.510710
  H      -8.821024     -6.922819      5.985763
  H      -9.606582     -4.680475      5.214918
  H      -8.072544     -3.166473      4.007090
  H      -6.377354     -1.946952      3.973874
  H       0.681419     -5.913566      5.701257
  H       1.078067     -5.302012      8.057042
  H      -0.660016     -4.078585      9.359219
  H      -2.846752     -3.546237      8.342334
  H      -5.406418     -3.295192      5.909684
  N      -6.792209     -6.735243      1.798634
  N      -8.139907     -6.343352      2.045105
  H      -8.739906     -7.080481      2.469471
  H      -8.160142     -5.540170      2.720851
  H      -8.609691     -6.011736      1.184093
76
Coordinates from ORCA-job orca E -7354.127829196402
  N      -2.886621     -4.053636      1.705148
  C      -3.230013     -4.908668      0.571611
  C      -3.591594     -6.285406      1.105664
  N      -2.878215     -6.490810      2.393450
  C      -3.345412     -7.759339      3.049238
  C      -4.069215     -7.427781      4.350289
  N      -4.667122     -6.120329      4.151340
  Mo     -3.413361     -4.625597      3.600256
  N      -1.663909     -5.338681      4.366769
  C      -0.761297     -6.188937      3.585259
  C      -1.397581     -6.464928      2.234558
  H      -0.582358     -7.120743      4.147730
  H       0.216566     -5.702126      3.441377
  H      -1.050998     -7.419952      1.810724
  H      -1.142056     -5.668851      1.530325
  H      -4.822680     -8.196577      4.565730
  H      -3.368862     -7.390314      5.199743
  H      -4.032819     -8.258747      2.355559
  H      -2.488736     -8.422238      3.222803
  H      -2.378871     -4.965946     -0.123869
  H      -4.080963     -4.473036      0.023220
  H      -3.318703     -7.077764      0.389204
  H      -4.667286     -6.356008      1.320797
  C      -2.230226     -2.889457      1.446663
  C      -1.806531     -2.447131      0.169832
  C      -1.243443     -1.191547      0.033264
  C      -1.122837     -0.322549      1.139090
  C      -1.515972     -0.739366      2.395466
  C      -2.009132     -2.048741      2.575457
  N      -2.449418     -2.558297      3.779435
  C      -2.047254     -2.032580      4.928805
  C      -0.774756     -1.404106      5.260393
  O      -0.590532     -0.651557      6.180792
  Cl      0.654907     -2.051414      4.321115
  C      -5.948598     -5.840970      4.488385
  C      -6.848066     -6.697926      5.168511
  C      -8.139031     -6.273137      5.438733
  C      -8.579648     -5.001321      5.022331
  C      -7.715604     -4.140382      4.350245
  C      -6.382092     -4.533779      4.106492
  N      -5.424126     -3.768014      3.450178
  C      -5.694654     -2.452080      3.285415
  C      -5.239169     -1.694300      2.159423
  O      -4.843228     -2.079486      1.082142
  Cl     -5.410026      0.096217      2.479755
  C      -1.343090     -5.112129      5.668581
  C      -0.104424     -5.430156      6.277710
  C       0.116976     -5.076046      7.594011
  C      -0.872547     -4.388503      8.335549
  C      -2.098611     -4.097104      7.774257
  C      -2.372939     -4.494936      6.445879
  N      -3.553798     -4.266595      5.778179
  C      -4.694204     -3.937349      6.423979
  C      -5.128131     -4.537792      7.656449
  O      -4.649158     -5.442252      8.299843
  Cl     -6.724394     -3.791240      8.174350
  H      -1.961115     -3.065815     -0.711445
  H      -0.936967     -0.848351     -0.955738
  H      -0.746816      0.690407      0.996425
  H      -1.481399     -0.051473      3.239826
  H      -2.701528     -2.128340      5.792517
  H      -6.520514     -7.680463      5.504458
  H      -8.817784     -6.929204      5.985118
  H      -9.602833     -4.684526      5.225227
  H      -8.071157     -3.166688      4.018584
  H      -6.376446     -1.947700      3.973246
  H       0.684395     -5.910027      5.700910
  H       1.081036     -5.293177      8.055127
  H      -0.657717     -4.069104      9.355473
  H      -2.845901     -3.541868      8.338349
  H      -5.407678     -3.300921      5.911719
  N      -6.799934     -6.713002      1.808026
  N      -8.150171     -6.321788      2.041152
  H      -8.754084     -7.058474      2.461580
  H      -8.179828     -5.516446      2.713761
  H      -8.610286     -5.995170      1.172838
76
Coordinates from ORCA-job orca E -7354.127834880320
  N      -2.886140     -4.057280      1.706226
  C      -3.231033     -4.912032      0.572985
  C      -3.592486     -6.288244      1.107911
  N      -2.876588     -6.494056      2.394883
  C      -3.342054     -7.762676      3.051707
  C      -4.071346     -7.431173      4.349701
  N      -4.669053     -6.123967      4.148838
  Mo     -3.413558     -4.630010      3.601042
  N      -1.662047     -5.339712      4.365774
  C      -0.758853     -6.189211      3.583846
  C      -1.396192     -6.467609      2.233917
  H      -0.577755     -7.120189      4.146938
  H       0.217978     -5.700814      3.438658
  H      -1.049639     -7.423165      1.811336
  H      -1.141716     -5.672752      1.528068
  H      -4.825880     -8.199901      4.561262
  H      -3.374604     -7.393940      5.201905
  H      -4.024702     -8.266255      2.356605
  H      -2.484052     -8.422378      3.229856
  H      -2.381054     -4.969975     -0.123691
  H      -4.082406     -4.476524      0.025379
  H      -3.320714     -7.081452      0.391767
  H      -4.667382     -6.358515      1.325144
  C      -2.228368     -2.893995      1.448110
  C      -1.802209     -2.453072      0.171730
  C      -1.239022     -1.197694      0.034813
  C      -1.121050     -0.327310      1.139752
  C      -1.516139     -0.742799      2.395745
  C      -2.008756     -2.052310      2.576522
  N      -2.451348     -2.560434      3.780064
  C      -2.054421     -2.032222      4.929706
  C      -0.785359     -1.398322      5.265036
  O      -0.607990     -0.642968      6.184485
  Cl      0.650448     -2.042666      4.334063
  C      -5.950691     -5.844632      4.486628
  C      -6.850895     -6.702184      5.164600
  C      -8.141540     -6.276150      5.435105
  C      -8.580334     -5.002666      5.021737
  C      -7.716288     -4.142721      4.352618
  C      -6.383175     -4.536838      4.106954
  N      -5.424347     -3.770369      3.451395
  C      -5.693312     -2.453823      3.287757
  C      -5.236322     -1.695382      2.163141
  O      -4.839970     -2.079974      1.085912
  Cl     -5.405693      0.094838      2.485279
  C      -1.339407     -5.109332      5.666509
  C      -0.099022     -5.422173      6.274552
  C       0.123223     -5.063873      7.589611
  C      -0.867121     -4.377265      8.330832
  C      -2.094889     -4.091173      7.770632
  C      -2.369913     -4.493533      6.443820
  N      -3.553209     -4.272017      5.777732
  C      -4.693275     -3.946124      6.426535
  C      -5.121942     -4.548260      7.659853
  O      -4.639127     -5.452233      8.301097
  Cl     -6.717977     -3.804024      8.184315
  H      -1.954711     -3.072706     -0.709124
  H      -0.930589     -0.855660     -0.953840
  H      -0.745544      0.685696      0.996611
  H      -1.483654     -0.053581      3.239044
  H      -2.711529     -2.128456      5.790941
  H      -6.524866     -7.685590      5.499040
  H      -8.821035     -6.932461      5.979956
  H      -9.603087     -4.685793      5.227205
  H      -8.070922     -3.163613      4.021174
  H      -6.375438     -1.949746      3.975418
  H       0.690301     -5.901362      5.697926
  H       1.088442     -5.277039      8.049982
  H      -0.651525     -4.054393      9.349515
  H      -2.843262     -3.536842      8.334145
  H      -5.410287     -3.312218      5.916462
  N      -6.806961     -6.687864      1.810343
  N      -8.159844     -6.302016      2.034037
  H      -8.763447     -7.040418      2.453156
  H      -8.197021     -5.494269      2.704538
  H      -8.616898     -5.980718      1.161563
76
Coordinates from ORCA-job orca E -7354.127846360831
  N      -2.887751     -4.055310      1.705634
  C      -3.231680     -4.910937      0.572414
  C      -3.592492     -6.286903      1.108087
  N      -2.877316     -6.491907      2.394919
  C      -3.342716     -7.760330      3.052443
  C      -4.069302     -7.428909      4.351805
  N      -4.668206     -6.122178      4.151289
  Mo     -3.413531     -4.628034      3.600879
  N      -1.662976     -5.338791      4.366435
  C      -0.759732     -6.188153      3.584415
  C      -1.396825     -6.465483      2.234120
  H      -0.579187     -7.119646      4.146871
  H       0.217346     -5.699975      3.439907
  H      -1.050137     -7.420851      1.811125
  H      -1.141889     -5.670169      1.528908
  H      -4.822916     -8.198093      4.565258
  H      -3.370953     -7.390796      5.202672
  H      -4.027377     -8.263138      2.358607
  H      -2.484783     -8.420723      3.228642
  H      -2.380918     -4.968385     -0.123246
  H      -4.082460     -4.475984      0.023696
  H      -3.319669     -7.080657      0.392954
  H      -4.667428     -6.358729      1.324534
  C      -2.230805     -2.891723      1.446640
  C      -1.806926     -2.450128      0.169755
  C      -1.243385     -1.194831      0.032841
  C      -1.122757     -0.325364      1.138268
  C      -1.515977     -0.741392      2.394688
  C      -2.009190     -2.050724      2.575255
  N      -2.449830     -2.559624      3.779194
  C      -2.048946     -2.033024      4.928457
  C      -0.776892     -1.403796      5.261177
  O      -0.594429     -0.650450      6.181317
  Cl      0.654520     -2.052675      4.326312
  C      -5.950025     -5.843390      4.488578
  C      -6.849971     -6.701585      5.165963
  C      -8.141572     -6.277385      5.435164
  C      -8.582015     -5.004922      5.020642
  C      -7.717242     -4.143419      4.351393
  C      -6.383386     -4.536358      4.107467
  N      -5.424696     -3.769806      3.451628
  C      -5.694445     -2.453405      3.288078
  C      -5.238184     -1.693845      2.163917
  O      -4.841452     -2.077368      1.086285
  Cl     -5.407055      0.095945      2.487934
  C      -1.341276     -5.110252      5.667682
  C      -0.101784     -5.425758      6.276290
  C       0.119972     -5.069781      7.592024
  C      -0.870018     -4.382867      8.333558
  C      -2.096854     -4.094077      7.772811
  C      -2.371494     -4.493938      6.445093
  N      -3.553611     -4.268979      5.778401
  C      -4.693639     -3.940743      6.425585
  C      -5.125462     -4.541631      7.658498
  O      -4.645364     -5.446202      8.300942
  Cl     -6.719046     -3.791598      8.181972
  H      -1.961481     -3.069038     -0.711341
  H      -0.936656     -0.852193     -0.956146
  H      -0.746667      0.687522      0.995279
  H      -1.481548     -0.052770      3.238429
  H      -2.704185     -2.128303      5.791320
  H      -6.522406     -7.684080      5.501361
  H      -8.820599     -6.934461      5.979286
  H      -9.605528     -4.688975      5.224285
  H      -8.072500     -3.166806      4.020726
  H      -6.377101     -1.950384      3.976124
  H       0.687222     -5.905301      5.699493
  H       1.084526     -5.285096      8.052837
  H      -0.654762     -4.061900      9.352922
  H      -2.844888     -3.539581      8.336593
  H      -5.408452     -3.305365      5.914436
  N      -6.800684     -6.697288      1.812390
  N      -8.153442     -6.308871      2.033917
  H      -8.758892     -7.046106      2.451542
  H      -8.189651     -5.500629      2.704191
  H      -8.608759     -5.985774      1.160965
76
Coordinates from ORCA-job orca E -7354.127844517197
  N      -2.889149     -4.054746      1.705642
  C      -3.232799     -4.911157      0.572634
  C      -3.593055     -6.286687      1.109285
  N      -2.877637     -6.490909      2.395755
  C      -3.342317     -7.759187      3.054253
  C      -4.067984     -7.427777      4.354005
  N      -4.668189     -6.121631      4.153080
  Mo     -3.413737     -4.627731      3.601187
  N      -1.663125     -5.337729      4.366723
  C      -0.759723     -6.186884      3.584644
  C      -1.397141     -6.464343      2.234424
  H      -0.578867     -7.118426      4.146950
  H       0.217222     -5.698421      3.440034
  H      -1.050334     -7.419772      1.811590
  H      -1.142168     -5.669101      1.529117
  H      -4.820812     -8.197529      4.568414
  H      -3.369229     -7.388549      5.204509
  H      -4.027472     -8.262612      2.361198
  H      -2.483845     -8.419106      3.229842
  H      -2.381666     -4.968399     -0.122519
  H      -4.083247     -4.476488      0.023310
  H      -3.319900     -7.081301      0.395211
  H      -4.667839     -6.359564      1.326171
  C      -2.231606     -2.891698      1.445983
  C      -1.808177     -2.450464      0.168805
  C      -1.242700     -1.195981      0.031853
  C      -1.119573     -0.327012      1.137456
  C      -1.512805     -0.742461      2.394078
  C      -2.008345     -2.050960      2.574613
  N      -2.449191     -2.559239      3.778651
  C      -2.046365     -2.033326      4.927571
  C      -0.772915     -1.405606      5.258223
  O      -0.588022     -0.651237      6.177018
  Cl      0.654886     -2.048775      4.314028
  C      -5.950202     -5.843298      4.490002
  C      -6.850275     -6.702249      5.166020
  C      -8.142339     -6.278953      5.434758
  C      -8.583216     -5.006509      5.020773
  C      -7.717858     -4.143935      4.352190
  C      -6.383799     -4.536521      4.108691
  N      -5.425181     -3.770024      3.452735
  C      -5.695368     -2.453615      3.290184
  C      -5.240655     -1.692459      2.166546
  O      -4.847925     -2.074393      1.086763
  Cl     -5.412994      0.096638      2.491814
  C      -1.341509     -5.109298      5.668032
  C      -0.102052     -5.425074      6.276635
  C       0.119531     -5.069948      7.592609
  C      -0.870711     -4.383683      8.334511
  C      -2.097460     -4.094590      7.773778
  C      -2.371863     -4.493355      6.445622
  N      -3.553886     -4.268176      5.778988
  C      -4.694375     -3.940702      6.425620
  C      -5.126986     -4.542522      7.657757
  O      -4.649001     -5.449653      8.298151
  Cl     -6.725496     -3.798729      8.175664
  H      -1.964473     -3.068923     -0.712371
  H      -0.936184     -0.853605     -0.957319
  H      -0.741594      0.685228      0.994517
  H      -1.476648     -0.053938      3.237866
  H      -2.700590     -2.127939      5.791382
  H      -6.521996     -7.684563      5.501158
  H      -8.821482     -6.936882      5.977504
  H      -9.607028     -4.690921      5.223720
  H      -8.073397     -3.168284      4.023251
  H      -6.378275     -1.952073      3.979149
  H       0.686968     -5.904288      5.699566
  H       1.084037     -5.285543      8.053436
  H      -0.655651     -4.063533      9.354182
  H      -2.845815     -3.540810      8.337845
  H      -5.409463     -3.306116      5.913893
  N      -6.797801     -6.696361      1.815942
  N      -8.151062     -6.306601      2.032460
  H      -8.758858     -7.042939      2.447604
  H      -8.189089     -5.497347      2.701787
  H      -8.602740     -5.983281      1.157635
76
Coordinates from ORCA-job orca E -7354.127851730555
  N      -2.889928     -4.055431      1.705758
  C      -3.233805     -4.912218      0.573035
  C      -3.593451     -6.287591      1.110201
  N      -2.877469     -6.491275      2.396562
  C      -3.341458     -7.759515      3.055691
  C      -4.067920     -7.427995      4.354984
  N      -4.668723     -6.122173      4.153352
  Mo     -3.413990     -4.628627      3.601457
  N      -1.662693     -5.337109      4.366513
  C      -0.759126     -6.186125      3.584463
  C      -1.397033     -6.464496      2.234605
  H      -0.577541     -7.117343      4.147072
  H       0.217498     -5.697204      3.439252
  H      -1.050161     -7.420100      1.812222
  H      -1.142389     -5.669625      1.528762
  H      -4.820479     -8.198062      4.569270
  H      -3.369747     -7.388112      5.205938
  H      -4.025863     -8.264031      2.362650
  H      -2.482408     -8.418523      3.231908
  H      -2.382899     -4.969283     -0.122406
  H      -4.084553     -4.477752      0.023984
  H      -3.320302     -7.082610      0.396554
  H      -4.668084     -6.360738      1.327694
  C      -2.232589     -2.892434      1.445672
  C      -1.809760     -2.451361      0.168197
  C      -1.244593     -1.196797      0.030777
  C      -1.121334     -0.327507      1.136132
  C      -1.514066     -0.742707      2.392990
  C      -2.009005     -2.051390      2.574095
  N      -2.449607     -2.559323      3.778330
  C      -2.047241     -2.033313      4.927323
  C      -0.773566     -1.406305      5.258964
  O      -0.588995     -0.654365      6.179773
  Cl      0.655792     -2.057961      4.323156
  C      -5.951005     -5.844036      4.489646
  C      -6.851600     -6.703279      5.164488
  C      -8.143727     -6.279853      5.432807
  C      -8.584007     -5.006967      5.019489
  C      -7.718311     -4.144394      4.351837
  C      -6.384305     -4.537156      4.108529
  N      -5.425316     -3.770748      3.453144
  C      -5.695061     -2.454283      3.290714
  C      -5.238441     -1.692698      2.168172
  O      -4.842373     -2.074238      1.089454
  Cl     -5.407771      0.096355      2.495034
  C      -1.340555     -5.107687      5.667559
  C      -0.100556     -5.422090      6.275764
  C       0.121129     -5.066599      7.591634
  C      -0.869620     -4.381362      8.333818
  C      -2.096835     -4.093523      7.773435
  C      -2.371203     -4.492504      6.445326
  N      -3.553746     -4.268837      5.779101
  C      -4.694337     -3.942660      6.426301
  C      -5.125251     -4.544771      7.658814
  O      -4.644417     -5.449522      8.300410
  Cl     -6.723222     -3.801123      8.179163
  H      -1.966427     -3.069973     -0.712812
  H      -0.938574     -0.854552     -0.958614
  H      -0.743679      0.684801      0.992843
  H      -1.478033     -0.053805      3.236469
  H      -2.702196     -2.127372      5.790674
  H      -6.523607     -7.685876      5.499139
  H      -8.823449     -6.938097      5.974520
  H      -9.607789     -4.691217      5.222186
  H      -8.073667     -3.168234      4.023524
  H      -6.378588     -1.952967      3.979211
  H       0.688680     -5.900672      5.698462
  H       1.086001     -5.281191      8.052178
  H      -0.654593     -4.061049      9.353449
  H      -2.845740     -3.540660      8.337708
  H      -5.410681     -3.309216      5.914865
  N      -6.797681     -6.691391      1.816678
  N      -8.151498     -6.301975      2.029691
  H      -8.760402     -7.038169      2.443435
  H      -8.191825     -5.492071      2.698187
  H      -8.600824     -5.979511      1.153423
76
Coordinates from ORCA-job orca E -7354.127848368176
  N      -2.890393     -4.056245      1.706269
  C      -3.234716     -4.912778      0.573531
  C      -3.593826     -6.288358      1.110440
  N      -2.877568     -6.491849      2.396998
  C      -3.341074     -7.760316      3.056109
  C      -4.068608     -7.428970      4.354889
  N      -4.669676     -6.123298      4.152977
  Mo     -3.414586     -4.629816      3.601921
  N      -1.662680     -5.337294      4.366406
  C      -0.758918     -6.185897      3.584122
  C      -1.397212     -6.464817      2.234576
  H      -0.576577     -7.116898      4.146821
  H       0.217358     -5.696466      3.438420
  H      -1.050326     -7.420441      1.812300
  H      -1.143031     -5.670084      1.528426
  H      -4.821050     -8.199273      4.568701
  H      -3.371085     -7.388906      5.206339
  H      -4.024557     -8.265474      2.362698
  H      -2.481649     -8.418612      3.232988
  H      -2.384230     -4.969513     -0.122471
  H      -4.085944     -4.478248      0.025202
  H      -3.320462     -7.083197      0.396676
  H      -4.668385     -6.361593      1.327955
  C      -2.232580     -2.893527      1.446371
  C      -1.809251     -2.452643      0.168967
  C      -1.243676     -1.198303      0.031560
  C      -1.120507     -0.328912      1.136831
  C      -1.513764     -0.743857      2.393602
  C      -2.009080     -2.052391      2.574761
  N      -2.450316     -2.559877      3.778878
  C      -2.048913     -2.033786      4.928060
  C      -0.775834     -1.405862      5.260469
  O      -0.592735     -0.651669      6.179709
  Cl      0.653923     -2.051448      4.321150
  C      -5.952258     -5.845522      4.488559
  C      -6.853353     -6.705076      5.162413
  C      -8.145523     -6.281507      5.430302
  C      -8.585217     -5.008128      5.017746
  C      -7.719269     -4.145675      4.351092
  C      -6.385290     -4.538410      4.107937
  N      -5.425829     -3.771664      3.453569
  C      -5.695251     -2.455029      3.291669
  C      -5.238013     -1.693048      2.169668
  O      -4.840403     -2.074205      1.091439
  Cl     -5.403826      0.095990      2.498421
  C      -1.339988     -5.107416      5.667257
  C      -0.099420     -5.420626      6.274865
  C       0.122708     -5.064530      7.590507
  C      -0.868157     -4.379788      8.332941
  C      -2.095881     -4.093046      7.773088
  C      -2.370673     -4.492787      6.445308
  N      -3.553683     -4.270094      5.779523
  C      -4.693831     -3.943694      6.427519
  C      -5.123400     -4.545131      7.660796
  O      -4.638923     -5.445637      8.305595
  Cl     -6.715286     -3.793616      8.188704
  H      -1.965902     -3.071255     -0.711999
  H      -0.937297     -0.856257     -0.957779
  H      -0.742514      0.683234      0.993537
  H      -1.477846     -0.054836      3.236974
  H      -2.704492     -2.127914      5.790889
  H      -6.525812     -7.688075      5.496395
  H      -8.825729     -6.939992      5.971243
  H      -9.608951     -4.692229      5.220269
  H      -8.074289     -3.168497      4.022871
  H      -6.378870     -1.953875      3.980115
  H       0.689890     -5.898671      5.697230
  H       1.088006     -5.278142      8.050581
  H      -0.652848     -4.058972      9.352355
  H      -2.844895     -3.540481      8.337503
  H      -5.410409     -3.309942      5.916841
  N      -6.798347     -6.687651      1.815116
  N      -8.152511     -6.299260      2.026646
  H      -8.761624     -7.035831      2.439813
  H      -8.194404     -5.489278      2.694840
  H      -8.601049     -5.977393      1.149781
76
Coordinates from ORCA-job orca E -7354.127853523752
  N      -2.890302     -4.056172      1.706242
  C      -3.234804     -4.912658      0.573526
  C      -3.593841     -6.288304      1.110393
  N      -2.877658     -6.491677      2.397033
  C      -3.341216     -7.760158      3.056135
  C      -4.068596     -7.428737      4.354982
  N      -4.669707     -6.123078      4.153083
  Mo     -3.414573     -4.629673      3.601906
  N      -1.662646     -5.337050      4.366337
  C      -0.758903     -6.185665      3.584040
  C      -1.397300     -6.464703      2.234571
  H      -0.576449     -7.116602      4.146808
  H       0.217331     -5.696196      3.438181
  H      -1.050474     -7.420358      1.812324
  H      -1.143165     -5.670015      1.528347
  H      -4.820953     -8.199062      4.569036
  H      -3.370945     -7.388574      5.206332
  H      -4.024827     -8.265198      2.362767
  H      -2.481819     -8.418522      3.232899
  H      -2.384428     -4.969344     -0.122621
  H      -4.086142     -4.478053      0.025406
  H      -3.320386     -7.083093      0.396624
  H      -4.668416     -6.361550      1.327851
  C      -2.232152     -2.893645      1.446359
  C      -1.808656     -2.452891      0.168951
  C      -1.242869     -1.198658      0.031510
  C      -1.119663     -0.329205      1.136730
  C      -1.513060     -0.744026      2.393497
  C      -2.008525     -2.052495      2.574724
  N      -2.449982     -2.559783      3.778834
  C      -2.048704     -2.033823      4.928129
  C      -0.775380     -1.406682      5.261104
  O      -0.592148     -0.653771      6.181366
  Cl      0.654881     -2.056209      4.325265
  C      -5.952228     -5.845230      4.488788
  C      -6.853309     -6.704672      5.162846
  C      -8.145379     -6.280959      5.431013
  C      -8.585025     -5.007524      5.018560
  C      -7.719050     -4.145183      4.351627
  C      -6.385189     -4.538057      4.108212
  N      -5.425775     -3.771450      3.453644
  C      -5.695223     -2.454775      3.291946
  C      -5.238916     -1.692760      2.169585
  O      -4.843916     -2.073857      1.090380
  Cl     -5.406580      0.096215      2.497766
  C      -1.339771     -5.106895      5.667105
  C      -0.099014     -5.419741      6.274511
  C       0.123376     -5.063188      7.589980
  C      -0.867400     -4.378290      8.332383
  C      -2.095308     -4.091906      7.772740
  C      -2.370413     -4.492222      6.445197
  N      -3.553577     -4.269895      5.779520
  C      -4.693911     -3.943772      6.427385
  C      -5.124054     -4.545872      7.660144
  O      -4.642016     -5.449396      8.302553
  Cl     -6.720410     -3.800355      8.182973
  H      -1.965430     -3.071498     -0.711993
  H      -0.936405     -0.856707     -0.957836
  H      -0.741510      0.682879      0.993394
  H      -1.477120     -0.054968      3.236832
  H      -2.704662     -2.127592      5.790712
  H      -6.525809     -7.687743      5.496671
  H      -8.825549     -6.939370      5.972094
  H      -9.608685     -4.691440      5.221172
  H      -8.073977     -3.168072      4.023520
  H      -6.378494     -1.953667      3.980781
  H       0.690246     -5.897796      5.696813
  H       1.088823     -5.276489      8.049885
  H      -0.651900     -4.057082      9.351630
  H      -2.844186     -3.539162      8.337126
  H      -5.410515     -3.310202      5.916508
  N      -6.798506     -6.688102      1.815354
  N      -8.152478     -6.299430      2.027424
  H      -8.761627     -7.035855      2.440792
  H      -8.193990     -5.489474      2.695632
  H      -8.601251     -5.977391      1.150749
76
Coordinates from ORCA-job orca E -7354.127853370438
  N      -2.890790     -4.056129      1.706293
  C      -3.235456     -4.912736      0.573681
  C      -3.593895     -6.288534      1.110657
  N      -2.877746     -6.491565      2.397371
  C      -3.341276     -7.760076      3.056584
  C      -4.068654     -7.428590      4.355396
  N      -4.669973     -6.123033      4.153380
  Mo     -3.414678     -4.629825      3.602063
  N      -1.662629     -5.336685      4.366471
  C      -0.758808     -6.185246      3.584173
  C      -1.397362     -6.464601      2.234812
  H      -0.576079     -7.116056      4.147058
  H       0.217303     -5.695600      3.438080
  H      -1.050577     -7.420333      1.812707
  H      -1.143303     -5.670052      1.528404
  H      -4.820819     -8.199040      4.569716
  H      -3.370954     -7.388156      5.206691
  H      -4.024897     -8.265144      2.363245
  H      -2.481836     -8.418377      3.233355
  H      -2.385337     -4.969093     -0.122780
  H      -4.087128     -4.478320      0.025952
  H      -3.320092     -7.083299      0.397012
  H      -4.668458     -6.362121      1.328050
  C      -2.232963     -2.893478      1.446210
  C      -1.810059     -2.452520      0.168661
  C      -1.244165     -1.198342      0.031169
  C      -1.120138     -0.329135      1.136497
  C      -1.513003     -0.744099      2.393376
  C      -2.008815     -2.052443      2.574569
  N      -2.449802     -2.559726      3.778773
  C      -2.047878     -2.033986      4.927907
  C      -0.774417     -1.406672      5.260052
  O      -0.590446     -0.654620      6.180869
  Cl      0.654957     -2.054403      4.321663
  C      -5.952474     -5.845078      4.489033
  C      -6.853721     -6.704416      5.163002
  C      -8.145744     -6.280542      5.431199
  C      -8.585247     -5.007024      5.018856
  C      -7.719031     -4.144773      4.351803
  C      -6.385255     -4.537839      4.108372
  N      -5.425624     -3.771550      3.453720
  C      -5.694522     -2.454805      3.291627
  C      -5.236243     -1.693035      2.169887
  O      -4.838456     -2.074417      1.091790
  Cl     -5.402556      0.096063      2.498046
  C      -1.339764     -5.106366      5.667246
  C      -0.098936     -5.418878      6.274661
  C       0.123274     -5.062452      7.590201
  C      -0.867830     -4.378126      8.332698
  C      -2.095808     -4.092047      7.773050
  C      -2.370619     -4.492006      6.445336
  N      -3.553804     -4.270023      5.779635
  C      -4.694501     -3.944843      6.427336
  C      -5.124294     -4.547367      7.659983
  O      -4.642078     -5.451149      8.301886
  Cl     -6.723380     -3.805993      8.180389
  H      -1.967336     -3.070959     -0.712316
  H      -0.938135     -0.856275     -0.958267
  H      -0.741757      0.682870      0.993174
  H      -1.476405     -0.055249      3.236861
  H      -2.703369     -2.127761      5.790834
  H      -6.526313     -7.687562      5.496678
  H      -8.825999     -6.938909      5.972192
  H      -9.608862     -4.690691      5.221338
  H      -8.073752     -3.167694      4.023889
  H      -6.378135     -1.953295      3.979847
  H       0.690482     -5.896620      5.696920
  H       1.088757     -5.275530      8.050130
  H      -0.652564     -4.057162      9.352074
  H      -2.844987     -3.539835      8.337573
  H      -5.411665     -3.312064      5.916230
  N      -6.798131     -6.688369      1.815895
  N      -8.152023     -6.299249      2.027412
  H      -8.761662     -7.035316      2.440702
  H      -8.193565     -5.488986      2.695271
  H      -8.600383     -5.977221      1.150475
