72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.383992349805
  N      -3.058031     -3.540972      1.980329
  C      -3.053206     -4.156717      0.661078
  C      -2.548582     -5.578624      0.884528
  N      -3.346480     -6.116489      2.011967
  C      -4.353665     -7.060954      1.490834
  C      -5.472921     -7.138085      2.514549
  N      -5.779898     -5.750741      2.818368
  Mo     -4.352782     -4.343813      3.200587
  N      -2.876314     -4.931319      4.364055
  C      -1.811247     -5.801244      3.879376
  C      -2.468992     -6.825930      2.967843
  H      -1.313191     -6.315656      4.708163
  H      -1.061640     -5.207407      3.334636
  H      -3.075296     -7.494736      3.585505
  H      -1.722795     -7.425110      2.434915
  H      -6.340308     -7.649796      2.084440
  H      -5.163665     -7.681966      3.418845
  H      -4.768519     -6.657742      0.561268
  H      -3.906132     -8.040689      1.292477
  H      -2.445258     -3.600882     -0.056752
  H      -4.085548     -4.168270      0.280371
  H      -1.490709     -5.548877      1.156917
  H      -2.658398     -6.197407     -0.009319
  C      -2.066701     -2.624378      2.243187
  C      -0.832695     -2.620448      1.568380
  C       0.152471     -1.707193      1.872296
  C      -0.046292     -0.749240      2.863779
  C      -1.247717     -0.700987      3.530340
  C      -2.272295     -1.611084      3.230247
  C      -3.556973     -1.550723      3.874982
  O      -4.238920     -2.632340      4.003828
  C      -4.173838     -0.353705      4.335772
  F      -5.363574     -0.604678      4.954619
  S      -3.735903      1.211282      4.120912
  C      -7.070255     -5.493593      3.189647
  C      -7.858914     -6.466126      3.834417
  C      -9.140916     -6.192344      4.247264
  C      -9.712876     -4.942588      4.011085
  C      -8.993979     -3.980539      3.343080
  C      -7.684806     -4.230078      2.905005
  C      -6.929821     -3.297353      2.104947
  O      -5.658576     -3.395497      2.093997
  C      -7.484308     -2.283536      1.254873
  F      -8.826704     -2.210740      1.145778
  S      -6.556795     -1.240751      0.391476
  C      -2.599086     -4.251363      5.529889
  C      -1.279421     -3.988031      5.937279
  C      -1.007707     -3.222415      7.048395
  C      -2.044066     -2.697478      7.817546
  C      -3.346538     -2.978180      7.483220
  C      -3.661276     -3.772288      6.367735
  C      -5.015386     -4.181492      6.085149
  O      -5.335986     -4.587677      4.908901
  C      -6.055083     -4.256897      7.064301
  F      -7.248713     -4.582763      6.496908
  S      -6.016474     -4.097251      8.697543
  H      -0.618316     -3.364986      0.819089
  H       1.095505     -1.753117      1.349715
  H       0.739438     -0.057612      3.119598
  H      -1.394800      0.009911      4.327469
  H      -7.427335     -7.423141      4.079707
  H      -9.700868     -6.945603      4.779667
  H     -10.711039     -4.727739      4.357310
  H      -9.434258     -3.011236      3.175226
  H      -0.452071     -4.329548      5.338238
  H       0.016784     -3.004049      7.305478
  H      -1.829146     -2.068722      8.666092
  H      -4.150552     -2.561821      8.066407
  N      -4.497078     -4.739677      1.112677
  N      -4.581727     -4.971905     -0.112165
  H      -4.524604     -4.218304     -0.797286
  H      -4.710341     -5.921638     -0.461501
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.481002623809
  N      -3.045605     -3.527727      1.978202
  C      -3.035889     -4.140424      0.651612
  C      -2.519944     -5.582787      0.884302
  N      -3.330956     -6.136786      2.015597
  C      -4.341025     -7.096722      1.502864
  C      -5.466179     -7.154160      2.522458
  N      -5.795088     -5.759001      2.817353
  Mo     -4.360074     -4.341062      3.196104
  N      -2.872153     -4.938297      4.363065
  C      -1.804102     -5.809691      3.883565
  C      -2.453262     -6.842043      2.977943
  H      -1.307745     -6.319957      4.717401
  H      -1.052223     -5.216521      3.338333
  H      -3.061153     -7.510993      3.595720
  H      -1.700848     -7.442772      2.451485
  H      -6.329251     -7.678368      2.095696
  H      -5.154607     -7.683552      3.436591
  H      -4.763219     -6.721601      0.576113
  H      -3.886575     -8.078178      1.318246
  H      -2.419836     -3.575285     -0.059316
  H      -4.088416     -4.138881      0.240025
  H      -1.464794     -5.548495      1.172474
  H      -2.613574     -6.200314     -0.013996
  C      -2.049916     -2.611632      2.251111
  C      -0.811222     -2.617344      1.580589
  C       0.180974     -1.706573      1.887421
  C      -0.020253     -0.744896      2.878149
  C      -1.230219     -0.689859      3.538990
  C      -2.259813     -1.595748      3.234824
  C      -3.552636     -1.529408      3.870837
  O      -4.241620     -2.618484      3.997601
  C      -4.174231     -0.330848      4.328623
  F      -5.369794     -0.586664      4.940388
  S      -3.737734      1.238724      4.120582
  C      -7.091626     -5.498316      3.189874
  C      -7.878265     -6.472897      3.837600
  C      -9.163818     -6.200906      4.253842
  C      -9.738516     -4.950022      4.018625
  C      -9.019256     -3.984248      3.347910
  C      -7.708170     -4.229947      2.905414
  C      -6.958675     -3.282919      2.105446
  O      -5.682648     -3.374522      2.085724
  C      -7.525659     -2.262914      1.261457
  F      -8.872802     -2.209296      1.170305
  S      -6.623559     -1.200205      0.391584
  C      -2.595906     -4.255037      5.533770
  C      -1.272328     -3.995293      5.937578
  C      -0.993719     -3.226715      7.049507
  C      -2.028703     -2.696606      7.820212
  C      -3.336835     -2.975421      7.487493
  C      -3.658657     -3.771750      6.373160
  C      -5.020938     -4.177634      6.093248
  O      -5.346907     -4.585048      4.910548
  C      -6.064665     -4.251484      7.074075
  F      -7.259752     -4.573467      6.499898
  S      -6.032391     -4.095769      8.710379
  H      -0.598084     -3.368737      0.831548
  H       1.129498     -1.758704      1.368182
  H       0.769783     -0.054131      3.138631
  H      -1.380292      0.025244      4.335335
  H      -7.442690     -7.431988      4.082505
  H      -9.723159     -6.957777      4.788821
  H     -10.739377     -4.735498      4.368036
  H      -9.462036     -3.012666      3.181690
  H      -0.445976     -4.342141      5.333949
  H       0.035656     -3.010577      7.304222
  H      -1.809763     -2.064402      8.669616
  H      -4.140306     -2.554461      8.072825
  N      -4.511839     -4.730240      1.075227
  N      -4.613145     -4.975366     -0.196707
  H      -4.558524     -4.215897     -0.889877
  H      -4.747078     -5.920982     -0.565125
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.554895059916
  N      -3.031072     -3.515893      1.975188
  C      -3.018686     -4.131381      0.644648
  C      -2.495319     -5.587150      0.888795
  N      -3.316321     -6.152380      2.019293
  C      -4.328307     -7.120288      1.511320
  C      -5.461966     -7.163972      2.525089
  N      -5.811452     -5.765974      2.813985
  Mo     -4.367823     -4.337549      3.193546
  N      -2.865663     -4.944920      4.363816
  C      -1.795777     -5.816341      3.887824
  C      -2.438294     -6.853927      2.986911
  H      -1.300341     -6.322959      4.725916
  H      -1.041742     -5.224226      3.341746
  H      -3.048059     -7.523410      3.603959
  H      -1.680575     -7.455779      2.465584
  H      -6.321406     -7.696717      2.098600
  H      -5.150084     -7.684113      3.446289
  H      -4.752045     -6.760955      0.581510
  H      -3.868685     -8.103011      1.337409
  H      -2.396262     -3.559675     -0.061479
  H      -4.089987     -4.118242      0.200412
  H      -1.443239     -5.550386      1.192648
  H      -2.575210     -6.203842     -0.013176
  C      -2.031728     -2.601504      2.257801
  C      -0.788683     -2.618284      1.592005
  C       0.210475     -1.710386      1.901454
  C       0.006517     -0.744753      2.890772
  C      -1.211394     -0.682256      3.545632
  C      -2.246473     -1.583057      3.238494
  C      -3.545824     -1.508445      3.868606
  O      -4.243793     -2.602499      3.995485
  C      -4.168332     -0.307877      4.324421
  F      -5.368689     -0.565454      4.932369
  S      -3.729352      1.264697      4.121854
  C      -7.112985     -5.503889      3.186020
  C      -7.895685     -6.483906      3.832268
  C      -9.185105     -6.217736      4.252610
  C      -9.764056     -4.966008      4.023431
  C      -9.045612     -3.993337      3.354073
  C      -7.732511     -4.231313      2.906356
  C      -6.990471     -3.266441      2.110615
  O      -5.712267     -3.347991      2.078881
  C      -7.570572     -2.237711      1.275563
  F      -8.922233     -2.206190      1.202893
  S      -6.697026     -1.152459      0.403786
  C      -2.592365     -4.257293      5.539031
  C      -1.265816     -3.999979      5.940181
  C      -0.981838     -3.227496      7.052596
  C      -2.016288     -2.692446      7.823197
  C      -3.329067     -2.970298      7.490612
  C      -3.656171     -3.769363      6.378184
  C      -5.026276     -4.170035      6.102491
  O      -5.360094     -4.579750      4.915451
  C      -6.071228     -4.238754      7.086824
  F      -7.270013     -4.555417      6.509613
  S      -6.039246     -4.083096      8.725260
  H      -0.577506     -3.376729      0.844212
  H       1.164164     -1.769199      1.385996
  H       0.800528     -0.055110      3.155781
  H      -1.364047      0.037487      4.340617
  H      -7.454219     -7.444752      4.072883
  H      -9.742363     -6.981126      4.786827
  H     -10.767576     -4.754409      4.376492
  H      -9.492202     -3.019953      3.193292
  H      -0.440244     -4.352120      5.333198
  H       0.051717     -3.013059      7.305598
  H      -1.795011     -2.056321      8.673105
  H      -4.133063     -2.545007      8.076766
  N      -4.524097     -4.724344      1.032607
  N      -4.643505     -4.990646     -0.279281
  H      -4.592786     -4.234824     -0.979601
  H      -4.781387     -5.931157     -0.659675
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.611426447199
  N      -3.017065     -3.505774      1.971535
  C      -3.002350     -4.123544      0.640804
  C      -2.473682     -5.589422      0.895848
  N      -3.302256     -6.165310      2.023223
  C      -4.315896     -7.139657      1.521959
  C      -5.457922     -7.169691      2.529405
  N      -5.826603     -5.771032      2.810652
  Mo     -4.375480     -4.332958      3.190972
  N      -2.859527     -4.949887      4.364339
  C      -1.788097     -5.820241      3.891738
  C      -2.424317     -6.862442      2.995390
  H      -1.293357     -6.322831      4.733914
  H      -1.031916     -5.229599      3.344831
  H      -3.036042     -7.532179      3.611609
  H      -1.662065     -7.465329      2.478905
  H      -6.313682     -7.710808      2.103569
  H      -5.146654     -7.680612      3.457557
  H      -4.739990     -6.795687      0.588388
  H      -3.852481     -8.123852      1.359685
  H      -2.374960     -3.546090     -0.060509
  H      -4.091652     -4.097038      0.162421
  H      -1.425105     -5.550463      1.215112
  H      -2.540371     -6.204809     -0.009641
  C      -2.014920     -2.595131      2.263274
  C      -0.767998     -2.623061      1.602940
  C       0.236973     -1.718653      1.915091
  C       0.030295     -0.749407      2.902328
  C      -1.194066     -0.679189      3.550487
  C      -2.234394     -1.574386      3.240752
  C      -3.538450     -1.490691      3.865739
  O      -4.245412     -2.586058      3.993851
  C      -4.159239     -0.287842      4.320035
  F      -5.363303     -0.544309      4.925897
  S      -3.714915      1.285789      4.122012
  C      -7.130771     -5.509003      3.181339
  C      -7.908847     -6.495015      3.825137
  C      -9.201081     -6.235983      4.249490
  C      -9.784578     -4.984018      4.027736
  C      -9.068114     -4.004484      3.361176
  C      -7.753525     -4.233469      2.908014
  C      -7.019864     -3.251009      2.118679
  O      -5.742105     -3.319680      2.073260
  C      -7.613457     -2.213491      1.293366
  F      -8.968711     -2.204166      1.237268
  S      -6.768125     -1.107288      0.423111
  C      -2.590314     -4.258634      5.542994
  C      -1.261938     -4.003274      5.942610
  C      -0.974126     -3.227621      7.055222
  C      -2.008285     -2.688413      7.824720
  C      -3.324059     -2.965428      7.491263
  C      -3.654876     -3.766763      6.380800
  C      -5.031137     -4.161636      6.109119
  O      -5.373007     -4.572736      4.920401
  C      -6.076469     -4.225442      7.096435
  F      -7.278604     -4.536170      6.516863
  S      -6.043977     -4.070449      8.736142
  H      -0.558954     -3.387889      0.857240
  H       1.195165     -1.784072      1.403981
  H       0.827561     -0.061316      3.171696
  H      -1.348923      0.045287      4.343245
  H      -7.461205     -7.456795      4.060367
  H      -9.755320     -7.006175      4.781897
  H     -10.790022     -4.776057      4.384494
  H      -9.518932     -3.030102      3.207126
  H      -0.437091     -4.359971      5.333398
  H       0.062593     -3.014868      7.307156
  H      -1.785999     -2.049035      8.675036
  H      -4.128786     -2.536620      8.077389
  N      -4.536014     -4.715809      0.984334
  N      -4.673609     -5.003476     -0.361070
  H      -4.626598     -4.253628     -1.066366
  H      -4.815104     -5.938198     -0.751704
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.655248040483
  N      -3.004183     -3.498410      1.967650
  C      -2.987117     -4.118706      0.640479
  C      -2.455436     -5.590429      0.905124
  N      -3.289220     -6.174825      2.026989
  C      -4.304529     -7.152607      1.532998
  C      -5.454401     -7.170701      2.534110
  N      -5.839694     -5.773671      2.807350
  Mo     -4.382527     -4.327630      3.188785
  N      -2.853923     -4.952393      4.364817
  C      -1.781036     -5.820669      3.895061
  C      -2.411668     -6.866909      3.002881
  H      -1.286493     -6.319001      4.740876
  H      -1.022912     -5.231781      3.347285
  H      -3.025210     -7.536600      3.618371
  H      -1.645902     -7.470770      2.490561
  H      -6.306606     -7.719172      2.108590
  H      -5.144915     -7.673929      3.468365
  H      -4.726927     -6.820785      0.593902
  H      -3.839460     -8.138628      1.382118
  H      -2.356740     -3.537112     -0.057313
  H      -4.094167     -4.077248      0.127240
  H      -1.410495     -5.549846      1.238605
  H      -2.510204     -6.204451     -0.003445
  C      -1.999735     -2.592707      2.267650
  C      -0.749097     -2.631336      1.613398
  C       0.260402     -1.730689      1.928207
  C       0.051157     -0.758016      2.912807
  C      -1.178173     -0.680093      3.553884
  C      -2.223427     -1.569659      3.241871
  C      -3.530428     -1.476918      3.862733
  O      -4.246054     -2.570546      3.992804
  C      -4.147250     -0.271288      4.316533
  F      -5.353765     -0.524341      4.922002
  S      -3.695402      1.301750      4.122630
  C      -7.144769     -5.513713      3.175823
  C      -7.918439     -6.506481      3.815781
  C      -9.212592     -6.255668      4.243482
  C      -9.800758     -5.003713      4.030509
  C      -9.087044     -4.017275      3.368596
  C      -7.771187     -4.236347      2.910330
  C      -7.045988     -3.237304      2.129673
  O      -5.770286     -3.291282      2.070220
  C      -7.653143     -2.191131      1.314339
  F      -9.010996     -2.202969      1.271455
  S      -6.833872     -1.065919      0.449046
  C      -2.589344     -4.258386      5.545925
  C      -1.260017     -4.004143      5.945146
  C      -0.969902     -3.226068      7.057687
  C      -2.004061     -2.683610      7.825495
  C      -3.321345     -2.960111      7.490481
  C      -3.654373     -3.763395      6.381786
  C      -5.035075     -4.152524      6.113587
  O      -5.384667     -4.564125      4.925363
  C      -6.080049     -4.212001      7.103940
  F      -7.285303     -4.516390      6.523281
  S      -6.045859     -4.058204      8.744109
  H      -0.542000     -3.401842      0.870550
  H       1.222424     -1.802452      1.421824
  H       0.850986     -0.071749      3.186164
  H      -1.334845      0.049162      4.343651
  H      -7.464787     -7.468592      4.044675
  H      -9.763335     -7.032916      4.772664
  H     -10.807576     -4.800070      4.390645
  H      -9.542336     -3.042586      3.222425
  H      -0.435681     -4.364341      5.334726
  H       0.069024     -3.014749      7.309062
  H      -1.781912     -2.041655      8.676110
  H      -4.126969     -2.528776      8.076022
  N      -4.547702     -4.706104      0.932617
  N      -4.704352     -5.016707     -0.439197
  H      -4.661310     -4.274349     -1.149151
  H      -4.849131     -5.946487     -0.837284
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.689983566955
  N      -2.992956     -3.494100      1.963402
  C      -2.973130     -4.116869      0.643117
  C      -2.440585     -5.590405      0.915318
  N      -3.277416     -6.181110      2.030147
  C      -4.294436     -7.160127      1.544087
  C      -5.450991     -7.167943      2.539321
  N      -5.850201     -5.774027      2.804198
  Mo     -4.388645     -4.321875      3.186795
  N      -2.849122     -4.952111      4.365307
  C      -1.774638     -5.817437      3.897801
  C      -2.400422     -6.867420      3.009338
  H      -1.279754     -6.311359      4.746729
  H      -1.014860     -5.230418      3.349179
  H      -3.015487     -7.536710      3.624462
  H      -1.632149     -7.472253      2.500496
  H      -6.299614     -7.723213      2.113972
  H      -5.144078     -7.664773      3.478885
  H      -4.713054     -6.838354      0.598784
  H      -3.829794     -8.148472      1.404517
  H      -2.341980     -3.532958     -0.053126
  H      -4.097866     -4.058098      0.095182
  H      -1.399118     -5.548542      1.261107
  H      -2.484951     -6.203257      0.004266
  C      -1.986421     -2.593914      2.270813
  C      -0.732128     -2.642545      1.623047
  C       0.280853     -1.745865      1.940489
  C       0.069517     -0.769917      2.922199
  C      -1.163494     -0.684400      3.556138
  C      -2.213396     -1.568460      3.241925
  C      -3.521793     -1.467135      3.859627
  O      -4.245575     -2.556760      3.991924
  C      -4.132850     -0.258212      4.314290
  F      -5.340605     -0.506322      4.920756
  S      -3.671992      1.313003      4.124576
  C      -7.155070     -5.517982      3.169948
  C      -7.925054     -6.517862      3.805149
  C      -9.220385     -6.275670      4.235364
  C      -9.813137     -5.023783      4.031846
  C      -9.102589     -4.030725      3.375855
  C      -7.785593     -4.239716      2.913068
  C      -7.068485     -3.225786      2.142604
  O      -5.795512     -3.264125      2.069795
  C      -7.689143     -2.171659      1.336941
  F      -9.048698     -2.203118      1.303323
  S      -6.892755     -1.029487      0.479191
  C      -2.589342     -4.256334      5.548081
  C      -1.259701     -4.002287      5.947885
  C      -0.968643     -3.222538      7.060208
  C      -2.003121     -2.677802      7.826107
  C      -3.320765     -2.954259      7.489151
  C      -3.654655     -3.759247      6.381835
  C      -5.038170     -4.143453      6.116142
  O      -5.394519     -4.554584      4.929711
  C      -6.082549     -4.200117      7.109444
  F      -7.290320     -4.498260      6.528351
  S      -6.046303     -4.048836      8.749562
  H      -0.526753     -3.417963      0.883558
  H       1.246033     -1.823696      1.439000
  H       0.871413     -0.085812      3.199140
  H      -1.321556      0.049512      4.342395
  H      -7.465944     -7.479850      4.027352
  H      -9.767491     -7.059807      4.760283
  H     -10.820843     -4.824784      4.394921
  H      -9.562321     -3.056279      3.238092
  H      -0.435587     -4.364759      5.337042
  H       0.071632     -3.012262      7.311395
  H      -1.782002     -2.033933      8.676900
  H      -4.127370     -2.521477      8.073804
  N      -4.559199     -4.694775      0.878316
  N      -4.735855     -5.029077     -0.512105
  H      -4.696986     -4.294743     -1.226519
  H      -4.883636     -5.955394     -0.914729
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.718325084063
  N      -2.983517     -3.492711      1.958850
  C      -2.960235     -4.118153      0.647831
  C      -2.428868     -5.589921      0.925077
  N      -3.267019     -6.184652      2.032327
  C      -4.285937     -7.163292      1.554333
  C      -5.447545     -7.162578      2.544598
  N      -5.857953     -5.772474      2.801202
  Mo     -4.393594     -4.316080      3.184994
  N      -2.845204     -4.949118      4.366079
  C      -1.768910     -5.810931      3.900068
  C      -2.390625     -6.864569      3.014841
  H      -1.273128     -6.300488      4.751498
  H      -1.007820     -5.225730      3.350632
  H      -3.006818     -7.533092      3.630153
  H      -1.620736     -7.470439      2.508813
  H      -6.292549     -7.724259      2.119335
  H      -5.143581     -7.654327      3.488593
  H      -4.698998     -6.849811      0.602394
  H      -3.823622     -8.154504      1.425796
  H      -2.330582     -3.533919     -0.049535
  H      -4.102912     -4.039162      0.066275
  H      -1.390368     -5.547083      1.280660
  H      -2.464734     -6.202095      0.012226
  C      -1.974956     -2.597923      2.272887
  C      -0.717090     -2.655748      1.631705
  C       0.298661     -1.763110      1.951651
  C       0.085916     -0.783997      2.930460
  C      -1.149794     -0.691126      3.557564
  C      -2.204068     -1.569946      3.241142
  C      -3.512677     -1.460862      3.856678
  O      -4.244001     -2.545213      3.991081
  C      -4.116816     -0.248369      4.313738
  F      -5.324754     -0.491048      4.922234
  S      -3.646444      1.320368      4.128626
  C      -7.162163     -5.521781      3.164093
  C      -7.929374     -6.528797      3.793911
  C      -9.225395     -6.295076      4.225817
  C      -9.822479     -5.043184      4.031943
  C      -9.115150     -4.043920      3.382606
  C      -7.797087     -4.243301      2.916024
  C      -7.087289     -3.216530      2.156464
  O      -5.816968     -3.239258      2.071896
  C      -7.720913     -2.155557      1.359711
  F      -9.081404     -2.204783      1.331194
  S      -6.943544     -0.998340      0.511159
  C      -2.590052     -4.252463      5.549980
  C      -1.260518     -3.997640      5.951065
  C      -0.969676     -3.216737      7.063111
  C      -2.004843     -2.670662      7.827113
  C      -3.322079     -2.947740      7.488103
  C      -3.655616     -3.754342      6.381759
  C      -5.040533     -4.135023      6.117384
  O      -5.402251     -4.544842      4.933140
  C      -6.084333     -4.190863      7.113491
  F      -7.293938     -4.483257      6.532247
  S      -6.045970     -4.043633      8.753327
  H      -0.513234     -3.435393      0.895792
  H       1.266394     -1.846732      1.454948
  H       0.889604     -0.102335      3.210527
  H      -1.308846      0.047201      4.340079
  H      -7.465574     -7.490442      4.009475
  H      -9.769036     -7.085698      4.745797
  H     -10.830728     -4.848884      4.397513
  H      -9.579034     -3.070042      3.253274
  H      -0.436260     -4.361152      5.340326
  H       0.071273     -3.006912      7.314360
  H      -1.785396     -2.025329      8.677951
  H      -4.129787     -2.514550      8.071755
  N      -4.570440     -4.681931      0.822636
  N      -4.768105     -5.040161     -0.578215
  H      -4.733644     -4.313774     -1.297207
  H      -4.918438     -5.964861     -0.981876
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.742207217271
  N      -2.975853     -3.493750      1.954066
  C      -2.948225     -4.122355      0.653458
  C      -2.419796     -5.589531      0.933335
  N      -3.258067     -6.186152      2.033548
  C      -4.278997     -7.163429      1.563416
  C      -5.443927     -7.155843      2.549706
  N      -5.863063     -5.769544      2.798390
  Mo     -4.397299     -4.310583      3.183384
  N      -2.842200     -4.943781      4.367373
  C      -1.763912     -5.801837      3.902069
  C      -2.382256     -6.859186      3.019760
  H      -1.266733     -6.287247      4.755381
  H      -1.001891     -5.218278      3.351817
  H      -2.999144     -7.526566      3.635934
  H      -1.611449     -7.466212      2.516037
  H      -6.285300     -7.723659      2.124500
  H      -5.142936     -7.643683      3.497269
  H      -4.685048     -6.856855      0.604877
  H      -3.820446     -8.157929      1.445481
  H      -2.322147     -3.539751     -0.047926
  H      -4.109388     -4.019756      0.040013
  H      -1.383518     -5.545973      1.295958
  H      -2.449175     -6.201802      0.019480
  C      -1.965313     -2.603716      2.274003
  C      -0.704082     -2.669888      1.639191
  C       0.314041     -1.781269      1.961422
  C       0.100667     -0.799142      2.937508
  C      -1.137046     -0.699286      3.558367
  C      -2.195394     -1.573185      3.239706
  C      -3.503391     -1.457368      3.854058
  O      -4.241540     -2.536078      3.990149
  C      -4.100112     -0.241430      4.315048
  F      -5.307399     -0.479116      4.926277
  S      -3.620617      1.324710      4.135162
  C      -7.166688     -5.525079      3.158564
  C      -7.931984     -6.538892      3.782645
  C      -9.228454     -6.313023      4.215521
  C      -9.829439     -5.061024      4.031037
  C      -9.125071     -4.056078      3.388545
  C      -7.806021     -4.246854      2.918961
  C      -7.102440     -3.209372      2.170286
  O      -5.834308     -3.217446      2.076246
  C      -7.747831     -2.142820      1.381426
  F      -9.108610     -2.207762      1.354069
  S      -6.985377     -0.972172      0.543072
  C      -2.591230     -4.247001      5.552044
  C      -1.262071     -3.990564      5.954764
  C      -0.972347     -3.208814      7.066542
  C      -2.008562     -2.662238      7.828796
  C      -3.324964     -2.940656      7.487851
  C      -3.657131     -3.748854      6.382143
  C      -5.042311     -4.127715      6.117879
  O      -5.407803     -4.535562      4.935529
  C      -6.085668     -4.184926      7.116497
  F      -7.296423     -4.472395      6.535071
  S      -6.045268     -4.043323      8.756042
  H      -0.501612     -3.453149      0.906786
  H       1.283802     -1.870390      1.469149
  H       0.906046     -0.120130      3.220243
  H      -1.296743      0.043097      4.337187
  H      -7.464376     -7.500175      3.991957
  H      -9.769041     -7.109544      4.730259
  H     -10.838013     -4.871239      4.398688
  H      -9.592581     -3.082863      3.267217
  H      -0.437307     -4.354027      5.344403
  H       0.068785     -2.998760      7.318008
  H      -1.791163     -2.015693      8.679540
  H      -4.133911     -2.507967      8.070532
  N      -4.581558     -4.667840      0.766586
  N      -4.801014     -5.049361     -0.636760
  H      -4.771140     -4.330548     -1.360429
  H      -4.953328     -5.974456     -1.037635
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.762956621742
  N      -2.969789     -3.496571      1.949200
  C      -2.936754     -4.129106      0.659037
  C      -2.412796     -5.589734      0.939580
  N      -3.250553     -6.186368      2.034041
  C      -4.273573     -7.161734      1.571204
  C      -5.440208     -7.148745      2.554464
  N      -5.865865     -5.765782      2.795771
  Mo     -4.399815     -4.305645      3.182016
  N      -2.840076     -4.936679      4.369349
  C      -1.759746     -5.791033      3.903958
  C      -2.375323     -6.852200      3.024466
  H      -1.260735     -6.272648      4.758557
  H      -0.997203     -5.208875      3.352801
  H      -2.992512     -7.518082      3.642168
  H      -1.604101     -7.460535      2.522720
  H      -6.278061     -7.722362      2.129360
  H      -5.141969     -7.633682      3.504791
  H      -4.671715     -6.860885      0.606324
  H      -3.819714     -8.159755      1.463242
  H      -2.315915     -3.549890     -0.048974
  H      -4.117026     -3.999129      0.015626
  H      -1.377918     -5.545826      1.306680
  H      -2.437600     -6.203021      0.025545
  C      -1.957413     -2.610343      2.274326
  C      -0.693163     -2.683993      1.645404
  C       0.327125     -1.799247      1.969601
  C       0.113842     -0.814313      2.943235
  C      -1.125394     -0.707987      3.558626
  C      -2.187461     -1.577340      3.237779
  C      -3.494322     -1.455897      3.851905
  O      -4.238500     -2.529269      3.989101
  C      -4.083664     -0.237030      4.318199
  F      -5.289695     -0.470745      4.932634
  S      -3.596056      1.326764      4.144183
  C      -7.169286     -5.527867      3.153558
  C      -7.933308     -6.547870      3.771784
  C      -9.230166     -6.328941      4.205097
  C      -9.834499     -5.076770      4.029452
  C      -9.132641     -4.066717      3.393561
  C      -7.812742     -4.250209      2.921730
  C      -7.114083     -3.204000      2.183383
  O      -5.847580     -3.199122      2.082567
  C      -7.769430     -2.133077      1.401291
  F      -9.129962     -2.211672      1.371619
  S      -7.017973     -0.950330      0.573710
  C      -2.592666     -4.240345      5.554545
  C      -1.264056     -3.981649      5.958948
  C      -0.976127     -3.199147      7.070482
  C      -2.013692     -2.652754      7.831158
  C      -3.329079     -2.933205      7.488558
  C      -3.659074     -3.743038      6.383281
  C      -5.043648     -4.121811      6.118080
  O      -5.411326     -4.527237      4.936966
  C      -6.086676     -4.182468      7.118795
  F      -7.298015     -4.465992      6.537047
  S      -6.044246     -4.047838      8.758155
  H      -0.491996     -3.470327      0.916236
  H       1.298462     -1.893510      1.481225
  H       0.920881     -0.138025      3.228177
  H      -1.285479      0.038035      4.333985
  H      -7.462778     -7.508902      3.975413
  H      -9.768230     -7.130679      4.714600
  H     -10.843264     -4.891148      4.398850
  H      -9.603102     -3.094082      3.279524
  H      -0.438488     -4.344194      5.349064
  H       0.064850     -2.988171      7.322258
  H      -1.798504     -2.005061      8.681655
  H      -4.139400     -2.501735      8.070366
  N      -4.592677     -4.652922      0.710990
  N      -4.834065     -5.056260     -0.687686
  H      -4.808834     -4.344652     -1.416111
  H      -4.987541     -5.983709     -1.081753
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.781444780161
  N      -2.965113     -3.500535      1.944335
  C      -2.925628     -4.137910      0.663883
  C      -2.407446     -5.590904      0.943744
  N      -3.244423     -6.185943      2.034160
  C      -4.269430     -7.159132      1.577810
  C      -5.436473     -7.141964      2.558818
  N      -5.866767     -5.761643      2.793371
  Mo     -4.401242     -4.301400      3.180972
  N      -2.838710     -4.928434      4.372081
  C      -1.756463     -5.779354      3.905871
  C      -2.369818     -6.844423      3.029281
  H      -1.255259     -6.257602      4.761213
  H      -0.993822     -5.198337      3.353630
  H      -2.987007     -7.508487      3.649076
  H      -1.598503     -7.454228      2.529361
  H      -6.271049     -7.720940      2.133914
  H      -5.140645     -7.624802      3.511217
  H      -4.659160     -6.862984      0.607046
  H      -3.820661     -8.160673      1.479023
  H      -2.311203     -3.563560     -0.052762
  H      -4.125458     -3.976477     -0.007628
  H      -1.373191     -5.547172      1.313156
  H      -2.429400     -6.206134      0.030344
  C      -1.951148     -2.617080      2.273904
  C      -0.684307     -2.697303      1.650209
  C       0.338039     -1.816200      1.976019
  C       0.125439     -0.828750      2.947542
  C      -1.114964     -0.716594      3.558323
  C      -2.180371     -1.581792      3.235441
  C      -3.485754     -1.455782      3.850294
  O      -4.235132     -2.524493      3.987981
  C      -4.068064     -0.234756      4.323065
  F      -5.272409     -0.465717      4.941083
  S      -3.573616      1.327126      4.155459
  C      -7.170486     -5.530173      3.149184
  C      -7.933661     -6.555599      3.761621
  C      -9.230977     -6.342559      4.194955
  C      -9.838042     -5.090208      4.027369
  C      -9.138150     -4.075651      3.397572
  C      -7.817571     -4.253292      2.924224
  C      -7.122468     -3.200081      2.195338
  O      -5.857077     -3.184442      2.090612
  C      -7.785569     -2.125856      1.418855
  F      -9.145442     -2.216193      1.384000
  S      -7.041679     -0.932136      0.602368
  C      -2.594188     -4.232941      5.557613
  C      -1.266248     -3.971526      5.963557
  C      -0.980636     -3.188206      7.074859
  C      -2.019800     -2.642527      7.834075
  C      -3.334116     -2.925632      7.490171
  C      -3.661325     -3.737173      6.385246
  C      -5.044641     -4.117443      6.118310
  O      -5.413074     -4.520173      4.937693
  C      -6.087393     -4.183345      7.120633
  F      -7.298886     -4.463927      6.538417
  S      -6.042857     -4.056729      8.759942
  H      -0.484381     -3.486194      0.923866
  H       1.310561     -1.915178      1.490915
  H       0.934116     -0.155148      3.234269
  H      -1.275238      0.032605      4.330581
  H      -7.461059     -7.516558      3.960243
  H      -9.767095     -7.148805      4.699432
  H     -10.846932     -4.908301      4.398202
  H      -9.610825     -3.103419      3.289916
  H      -0.439647     -4.332514      5.354164
  H       0.059943     -2.975652      7.327021
  H      -1.806862     -1.993614      8.684149
  H      -4.145928     -2.495911      8.071209
  N      -4.603972     -4.637518      0.656534
  N      -4.866746     -5.060542     -0.731394
  H      -4.846188     -4.356022     -1.464824
  H      -5.020410     -5.992127     -1.114658
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.798210584294
  N      -2.961601     -3.505089      1.939453
  C      -2.914792     -4.148227      0.667632
  C      -2.403471     -5.593308      0.946047
  N      -3.239600     -6.185396      2.034244
  C      -4.266373     -7.156330      1.583456
  C      -5.432876     -7.135916      2.562824
  N      -5.866193     -5.757485      2.791213
  Mo     -4.401683     -4.297885      3.180323
  N      -2.837916     -4.919632      4.375564
  C      -1.754035     -5.767518      3.907901
  C      -2.365700     -6.836513      3.034421
  H      -1.250338     -6.242858      4.763503
  H      -0.991708     -5.187411      3.354321
  H      -2.982715     -7.498472      3.656734
  H      -1.594482     -7.447964      2.536326
  H      -6.264549     -7.719704      2.138296
  H      -5.139068     -7.617240      3.516748
  H      -4.647622     -6.864039      0.607378
  H      -3.822665     -8.161214      1.492935
  H      -2.307481     -3.579888     -0.058939
  H      -4.134217     -3.951079     -0.030257
  H      -1.369156     -5.550437      1.316055
  H      -2.424110     -6.211300      0.034014
  C      -1.946377     -2.623399      2.272680
  C      -0.677392     -2.709225      1.653440
  C       0.346924     -1.831470      1.980536
  C       0.135451     -0.841886      2.950345
  C      -1.105829     -0.724654      3.557396
  C      -2.174196     -1.586100      3.232701
  C      -3.477842     -1.456481      3.849236
  O      -4.231601     -2.521343      3.986865
  C      -4.053607     -0.234185      4.329458
  F      -5.255930     -0.463583      4.951417
  S      -3.553632      1.326270      4.168631
  C      -7.170705     -5.532059      3.145472
  C      -7.933303     -6.562078      3.752336
  C      -9.231228     -6.353866      4.185331
  C      -9.840413     -5.101384      4.024852
  C      -9.141912     -4.082921      3.400499
  C      -7.820825     -4.256104      2.926351
  C      -7.127910     -3.197324      2.205928
  O      -5.863189     -3.173353      2.100163
  C      -7.796354     -2.120664      1.433897
  F      -9.155280     -2.221077      1.391499
  S      -7.057150     -0.916967      0.628725
  C      -2.595644     -4.225211      5.561292
  C      -1.268466     -3.960766      5.968545
  C      -0.985582     -3.176452      7.079604
  C      -2.026543     -2.631868      7.837400
  C      -3.339793     -2.918162      7.492552
  C      -3.663758     -3.731519      6.387994
  C      -5.045348     -4.114645      6.118790
  O      -5.413323     -4.514529      4.938002
  C      -6.087811     -4.187259      7.122223
  F      -7.299159     -4.465841      6.539449
  S      -6.041022     -4.069416      8.761611
  H      -0.478631     -3.500157      0.929422
  H       1.320292     -1.934653      1.498044
  H       0.945714     -0.170844      3.238506
  H      -1.266146      0.027226      4.327009
  H      -7.459411     -7.523150      3.946687
  H      -9.765969     -7.163927      4.685097
  H     -10.849420     -4.922701      4.396785
  H      -9.616095     -3.110880      3.298192
  H      -0.440675     -4.319767      5.359631
  H       0.054415     -2.961738      7.332229
  H      -1.815832     -1.981565      8.686856
  H      -4.153194     -2.490553      8.072906
  N      -4.615484     -4.621782      0.603737
  N      -4.898535     -5.062038     -0.768483
  H      -4.882730     -4.364882     -1.507414
  H      -5.051304     -5.999246     -1.137141
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.813560690442
  N      -2.959043     -3.509828      1.934552
  C      -2.904240     -4.159503      0.670323
  C      -2.400632     -5.597109      0.946945
  N      -3.235994     -6.185110      2.034571
  C      -4.264308     -7.153823      1.588329
  C      -5.429626     -7.130843      2.566551
  N      -5.864561     -5.753597      2.789279
  Mo     -4.401252     -4.295104      3.180104
  N      -2.837528     -4.910831      4.379754
  C      -1.752403     -5.756165      3.910137
  C      -2.362925     -6.829021      3.040013
  H      -1.245971     -6.229053      4.765578
  H      -0.990772     -5.176782      3.354921
  H      -2.979740     -7.488617      3.665094
  H      -1.591904     -7.442306      2.543862
  H      -6.258889     -7.718806      2.142634
  H      -5.137425     -7.611074      3.521579
  H      -4.637489     -6.864654      0.607545
  H      -3.825334     -8.161752      1.505066
  H      -2.304278     -3.597910     -0.066718
  H      -4.142715     -3.922380     -0.052432
  H      -1.365711     -5.555925      1.316312
  H      -2.421261     -6.218451      0.036846
  C      -1.942955     -2.628974      2.270614
  C      -0.672268     -2.719382      1.654978
  C       0.353906     -1.844625      1.983013
  C       0.143875     -0.853321      2.951527
  C      -1.098014     -0.731844      3.555734
  C      -2.168982     -1.589976      3.229556
  C      -3.470661     -1.457602      3.848723
  O      -4.228053     -2.519397      3.985853
  C      -4.040392     -0.234898      4.337153
  F      -5.240404     -0.463767      4.963416
  S      -3.536121      1.324587      4.183253
  C      -7.170266     -5.533619      3.142402
  C      -7.932454     -6.567384      3.744099
  C      -9.231148     -6.362975      4.176466
  C      -9.841887     -5.110445      4.022012
  C      -9.144235     -4.088688      3.402330
  C      -7.822808     -4.258703      2.928034
  C      -7.130787     -3.195550      2.215041
  O      -5.866344     -3.165681      2.110974
  C      -7.802160     -2.117138      1.446339
  F      -9.159967     -2.226286      1.394519
  S      -7.065373     -0.904341      0.652655
  C      -2.596962     -4.217569      5.565563
  C      -1.270612     -3.949887      5.973853
  C      -0.990767     -3.164295      7.084594
  C      -2.033678     -2.621029      7.840924
  C      -3.345890     -2.910980      7.495487
  C      -3.666295     -3.726324      6.391404
  C      -5.045847     -4.113412      6.119646
  O      -5.412419     -4.510397      4.938152
  C      -6.087916     -4.193839      7.123769
  F      -7.298956     -4.471242      6.540459
  S      -6.038631     -4.085269      8.763339
  H      -0.474604     -3.511866      0.932746
  H       1.327815     -1.951443      1.502450
  H       0.955629     -0.184618      3.240790
  H      -1.258248      0.022233      4.323178
  H      -7.457963     -7.528739      3.934958
  H      -9.765023     -7.176191      4.671948
  H     -10.851028     -4.934465      4.394714
  H      -9.619294     -3.116635      3.304272
  H      -0.441541     -4.306667      5.365399
  H       0.048511     -2.946919      7.337744
  H      -1.825143     -1.969073      8.689531
  H      -4.160951     -2.485687      8.075201
  N      -4.626920     -4.605645      0.552876
  N      -4.928722     -5.060608     -0.799740
  H      -4.917766     -4.371329     -1.544889
  H      -5.079392     -6.004542     -1.150428
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.827642326468
  N      -2.957281     -3.514502      1.929668
  C      -2.894058     -4.171253      0.672238
  C      -2.398755     -5.602365      0.946986
  N      -3.233508     -6.185322      2.035374
  C      -4.263130     -7.151903      1.592616
  C      -5.426895     -7.126875      2.570062
  N      -5.862256     -5.750210      2.787528
  Mo     -4.400059     -4.293043      3.180341
  N      -2.837391     -4.902539      4.384602
  C      -1.751488     -5.745834      3.912685
  C      -2.361449     -6.822374      3.046138
  H      -1.242129     -6.216708      4.767600
  H      -0.990891     -5.167037      3.355522
  H      -2.978188     -7.479375      3.674065
  H      -1.590663     -7.437695      2.552132
  H      -6.254302     -7.718319      2.147008
  H      -5.135893     -7.606313      3.525875
  H      -4.629002     -6.865150      0.607780
  H      -3.828336     -8.162487      1.515501
  H      -2.301288     -3.616698     -0.075143
  H      -4.150509     -3.890070     -0.074033
  H      -1.362828     -5.563773      1.314878
  H      -2.420446     -6.227368      0.039187
  C      -1.940756     -2.633634      2.267716
  C      -0.668788     -2.727590      1.654778
  C       0.359100     -1.855436      1.983359
  C       0.150724     -0.862802      2.950969
  C      -1.091493     -0.737950      3.553221
  C      -2.164739     -1.593248      3.226014
  C      -3.464216     -1.458870      3.848738
  O      -4.224602     -2.518248      3.985069
  C      -4.028382     -0.236495      4.345911
  F      -5.225808     -0.465665      4.976837
  S      -3.520915      1.322409      4.198827
  C      -7.169421     -5.534958      3.139921
  C      -7.931301     -6.571628      3.737070
  C      -9.230896     -6.370071      4.168586
  C      -9.842697     -5.117595      4.018964
  C      -9.145427     -4.093177      3.403070
  C      -7.823807     -4.261176      2.929193
  C      -7.131498     -3.194675      2.222623
  O      -5.866988     -3.161167      2.122781
  C      -7.803500     -2.115033      1.456170
  F      -9.160102     -2.231915      1.393388
  S      -7.067390     -0.893913      0.674132
  C      -2.598113     -4.210392      5.570392
  C      -1.272632     -3.939332      5.979432
  C      -0.996042     -3.152085      7.089698
  C      -2.041011     -2.610203      7.844442
  C      -3.352222     -2.904225      7.498757
  C      -3.668874     -3.721799      6.395337
  C      -5.046206     -4.113712      6.120962
  O      -5.410717     -4.507821      4.938388
  C      -6.087675     -4.202692      7.125490
  F      -7.298366     -4.479594      6.541803
  S      -6.035537     -4.103683      8.765313
  H      -0.472176     -3.521185      0.933809
  H       1.333265     -1.965296      1.504029
  H       0.963838     -0.196139      3.240989
  H      -1.251520      0.017888      4.318945
  H      -7.456800     -7.533396      3.925263
  H      -9.764326     -7.185808      4.660321
  H     -10.852002     -4.943774      4.392116
  H      -9.620836     -3.120945      3.308121
  H      -0.442249     -4.293836      5.371431
  H       0.042417     -2.931625      7.343403
  H      -1.834594     -1.956243      8.691921
  H      -4.168980     -2.481301      8.077830
  N      -4.637753     -4.588842      0.504030
  N      -4.956688     -5.056140     -0.826153
  H      -4.950674     -4.375382     -1.578318
  H      -5.103986     -6.007475     -1.156219
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.840486000855
  N      -2.956196     -3.518957      1.924831
  C      -2.884396     -4.183151      0.673704
  C      -2.397745     -5.609030      0.946682
  N      -3.232053     -6.186116      2.036836
  C      -4.262731     -7.150679      1.596499
  C      -5.424799     -7.124033      2.573432
  N      -5.859604     -5.747470      2.785927
  Mo     -4.398195     -4.291647      3.181066
  N      -2.837345     -4.895138      4.390072
  C      -1.751172     -5.736910      3.915652
  C      -2.361214     -6.816841      3.052847
  H      -1.238711     -6.206169      4.769712
  H      -0.991916     -5.158606      3.356217
  H      -2.978138     -7.471029      3.683556
  H      -1.590693     -7.434428      2.561222
  H      -6.250914     -7.718247      2.151464
  H      -5.134610     -7.602900      3.529782
  H      -4.622265     -6.865583      0.608306
  H      -3.831405     -8.163452      1.524322
  H      -2.298376     -3.635559     -0.083390
  H      -4.157408     -3.854233     -0.094837
  H      -1.360533     -5.573944      1.312526
  H      -2.421410     -6.237742      0.041359
  C      -1.939674     -2.637266      2.264017
  C      -0.666813     -2.733764      1.652869
  C       0.362620     -1.863804      1.981580
  C       0.156043     -0.870192      2.948642
  C      -1.086211     -0.742830      3.549798
  C      -2.161451     -1.595798      3.222098
  C      -3.458453     -1.460082      3.849276
  O      -4.221322     -2.517502      3.984646
  C      -4.017430     -0.238591      4.355555
  F      -5.211966     -0.468702      4.991527
  S      -3.507709      1.320036      4.214969
  C      -7.168358     -5.536160      3.137961
  C      -7.930012     -6.574931      3.731359
  C      -9.230602     -6.375376      4.161818
  C      -9.843083     -5.123066      4.015726
  C      -9.145810     -4.096634      3.402683
  C      -7.824104     -4.263606      2.929744
  C      -7.130471     -3.194667      2.228696
  O      -5.865603     -3.159449      2.135330
  C      -7.801006     -2.114169      1.463472
  F      -9.156369     -2.238096      1.388415
  S      -7.064277     -0.885371      0.693303
  C      -2.599057     -4.203964      5.575748
  C      -1.274459     -3.929452      5.985280
  C      -1.001249     -3.140127      7.094847
  C      -2.048345     -2.599553      7.847829
  C      -3.358585     -2.897985      7.502208
  C      -3.671399     -3.718079      6.399692
  C      -5.046436     -4.115429      6.122812
  O      -5.408524     -4.506748      4.938954
  C      -6.087016     -4.213394      7.127629
  F      -7.297418     -4.490300      6.543842
  S      -6.031566     -4.124108      8.767739
  H      -0.471244     -3.528086      0.932687
  H       1.336777     -1.976130      1.502812
  H       0.970365     -0.205227      3.239075
  H      -1.245897      0.014375      4.314226
  H      -7.455967     -7.537186      3.917752
  H      -9.763920     -7.193040      4.650409
  H     -10.852596     -4.950869      4.388992
  H      -9.621176     -3.124115      3.309656
  H      -0.442785     -4.281785      5.377746
  H       0.036322     -2.916270      7.349112
  H      -1.843994     -1.943195      8.693876
  H      -4.177044     -2.477363      8.080602
  N      -4.647320     -4.571055      0.457169
  N      -4.982008     -5.048835     -0.848953
  H      -4.981057     -4.377437     -1.608978
  H      -5.124619     -6.007848     -1.156554
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.852063898076
  N      -2.955704     -3.523102      1.920056
  C      -2.875415     -4.195020      0.674996
  C      -2.397575     -5.616939      0.946445
  N      -3.231563     -6.187458      2.039096
  C      -4.263038     -7.150141      1.600186
  C      -5.423403     -7.122262      2.576794
  N      -5.856866     -5.745434      2.784470
  Mo     -4.395743     -4.290827      3.182334
  N      -2.837249     -4.888861      4.396153
  C      -1.751330     -5.729613      3.919118
  C      -2.362159     -6.812541      3.060163
  H      -1.235566     -6.197605      4.772005
  H      -0.993710     -5.151742      3.357056
  H      -2.979628     -7.463692      3.693493
  H      -1.591981     -7.432656      2.571132
  H      -6.248764     -7.718562      2.156096
  H      -5.133679     -7.600703      3.533501
  H      -4.617337     -6.865864      0.609348
  H      -3.834379     -8.164606      1.531649
  H      -2.295521     -3.654057     -0.090872
  H      -4.163455     -3.815276     -0.114651
  H      -1.358880     -5.586212      1.309779
  H      -2.424065     -6.249193      0.043612
  C      -1.939634     -2.639786      2.259565
  C      -0.666232     -2.737895      1.649325
  C       0.364574     -1.869749      1.977754
  C       0.159908     -0.875470      2.944592
  C      -1.082082     -0.746421      3.545471
  C      -2.159085     -1.597548      3.217850
  C      -3.453283     -1.461096      3.850357
  O      -4.218264     -2.516813      3.984725
  C      -4.007315     -0.240861      4.366031
  F      -5.198602     -0.472413      5.007485
  S      -3.496125      1.317708      4.231515
  C      -7.167221     -5.537287      3.136466
  C      -7.928717     -6.577408      3.727056
  C      -9.230370     -6.379143      4.156214
  C      -9.843292     -5.127131      4.012250
  C      -9.145740     -4.099330      3.401102
  C      -7.823982     -4.266077      2.929602
  C      -7.128165     -3.195516      2.233333
  O      -5.862722     -3.160075      2.148381
  C      -7.795405     -2.114406      1.468386
  F      -9.149491     -2.244971      1.379801
  S      -7.057093     -0.878416      0.710440
  C      -2.599738     -4.198456      5.581624
  C      -1.276012     -3.920498      5.991433
  C      -1.006217     -3.128679      7.100039
  C      -2.055466     -2.589212      7.851059
  C      -3.364759     -2.892294      7.505769
  C      -3.673744     -3.715200      6.404419
  C      -5.046499     -4.118354      6.125283
  O      -5.406083     -4.507020      4.940096
  C      -6.085835     -4.225481      7.130444
  F      -7.296092     -4.502693      6.546924
  S      -6.026521     -4.146049      8.770837
  H      -0.471747     -3.532628      0.929519
  H       1.338484     -1.984017      1.498928
  H       0.975288     -0.211872      3.235117
  H      -1.241264      0.011781      4.309005
  H      -7.455447     -7.540146      3.912548
  H      -9.763819     -7.198188      4.642306
  H     -10.853085     -4.956066      4.385244
  H      -9.620820     -3.126496      3.308756
  H      -0.443113     -4.270909      5.384405
  H       0.030428     -2.901256      7.354857
  H      -1.853130     -1.930066      8.695362
  H      -4.184892     -2.473818      8.083428
  N      -4.654916     -4.551950      0.412240
  N      -5.004337     -5.039154     -0.869658
  H      -5.008544     -4.378127     -1.638390
  H      -5.140880     -6.005769     -1.153780
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.862367917850
  N      -2.955745     -3.526919      1.915412
  C      -2.867249     -4.206758      0.676326
  C      -2.398259     -5.625845      0.946556
  N      -3.231995     -6.189282      2.042248
  C      -4.264036     -7.150250      1.603899
  C      -5.422734     -7.121480      2.580358
  N      -5.854256     -5.744102      2.783204
  Mo     -4.392801     -4.290494      3.184219
  N      -2.837037     -4.883848      4.402838
  C      -1.751869     -5.724057      3.923124
  C      -2.364222     -6.809527      3.068070
  H      -1.232557     -6.191051      4.774525
  H      -0.996190     -5.146581      3.358040
  H      -2.982651     -7.457397      3.703824
  H      -1.594544     -7.432473      2.581786
  H      -6.247815     -7.719260      2.161090
  H      -5.133176     -7.599539      3.537316
  H      -4.614307     -6.865886      0.611145
  H      -3.837235     -8.165912      1.537652
  H      -2.292739     -3.671898     -0.097169
  H      -4.168820     -3.773717     -0.133330
  H      -1.357934     -5.600220      1.306928
  H      -2.428429     -6.261299      0.046101
  C      -1.940567     -2.641208      2.254455
  C      -0.666953     -2.740112      1.644279
  C       0.365069     -1.873430      1.971994
  C       0.162419     -0.878735      2.938875
  C      -1.079001     -0.748753      3.540264
  C      -2.157583     -1.598515      3.213335
  C      -3.448616     -1.461878      3.852032
  O      -4.215486     -2.515964      3.985443
  C      -3.997806     -0.243105      4.377343
  F      -5.185430     -0.476488      5.024772
  S      -3.485790      1.315550      4.248393
  C      -7.166130     -5.538395      3.135447
  C      -7.927495     -6.579161      3.724319
  C      -9.230266     -6.381617      4.151884
  C      -9.843560     -5.130074      4.008519
  C      -9.145569     -4.101547      3.398272
  C      -7.823722     -4.268687      2.928728
  C      -7.125057     -3.197245      2.236651
  O      -5.858908     -3.162564      2.161726
  C      -7.787532     -2.115692      1.471098
  F      -9.140243     -2.252766      1.367741
  S      -7.046975     -0.872817      0.725858
  C      -2.600126     -4.193973      5.587999
  C      -1.277240     -3.912643      5.997913
  C      -1.010804     -3.117936      7.105272
  C      -2.062183     -2.579268      7.854124
  C      -3.370557     -2.887130      7.509398
  C      -3.675800     -3.713139      6.409489
  C      -5.046350     -4.122240      6.128437
  O      -5.403597     -4.508428      4.942015
  C      -6.084051     -4.238472      7.134158
  F      -7.294384     -4.516056      6.551351
  S      -6.020232     -4.169000      8.774790
  H      -0.473642     -3.535022      0.924529
  H       1.338508     -1.989184      1.492544
  H       0.978719     -0.216188      3.229167
  H      -1.237484      0.010126      4.303262
  H      -7.455153     -7.542284      3.909872
  H      -9.763989     -7.201531      4.636179
  H     -10.853732     -4.959718      4.380800
  H      -9.620281     -3.128461      3.305287
  H      -0.443213     -4.261506      5.391460
  H       0.024905     -2.886915      7.360617
  H      -1.861803     -1.916967      8.696382
  H      -4.192303     -2.470575      8.086252
  N      -4.659848     -4.531118      0.369249
  N      -5.023150     -5.027452     -0.890010
  H      -5.032375     -4.377731     -1.668143
  H      -5.152144     -6.001280     -1.150505
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.871474932384
  N      -2.956263     -3.530425      1.911019
  C      -2.860036     -4.218290      0.677812
  C      -2.399861     -5.635479      0.947193
  N      -3.233345     -6.191529      2.046321
  C      -4.265785     -7.150973      1.607859
  C      -5.422816     -7.121585      2.584378
  N      -5.851967     -5.743425      2.782213
  Mo     -4.389520     -4.290556      3.186766
  N      -2.836732     -4.880164      4.410039
  C      -1.752747     -5.720264      3.927604
  C      -2.367343     -6.807813      3.076484
  H      -1.229598     -6.186425      4.777226
  H      -0.999332     -5.143157      3.359079
  H      -2.987143     -7.452135      3.714484
  H      -1.598414     -7.433919      2.593000
  H      -6.248017     -7.720352      2.166697
  H      -5.133183     -7.599182      3.541560
  H      -4.613326     -6.865594      0.613929
  H      -3.840091     -8.167364      1.542547
  H      -2.290034     -3.688927     -0.102040
  H      -4.173705     -3.730063     -0.150785
  H      -1.357794     -5.615540      1.304118
  H      -2.434603     -6.273694      0.048924
  C      -1.942359     -2.641646      2.248860
  C      -0.668836     -2.740653      1.637972
  C       0.364242     -1.875072      1.964516
  C       0.163679     -0.880140      2.931617
  C      -1.076882     -0.749914      3.534255
  C      -2.156869     -1.598791      3.208658
  C      -3.444393     -1.462475      3.854321
  O      -4.213074     -2.514872      3.986875
  C      -3.988767     -0.245238      4.389416
  F      -5.172296     -0.480764      5.043320
  S      -3.476463      1.313593      4.265472
  C      -7.165206     -5.539522      3.134982
  C      -7.926388     -6.580267      3.723375
  C      -9.230316     -6.383021      4.149029
  C      -9.844094     -5.132184      4.004599
  C      -9.145643     -4.103556      3.394201
  C      -7.823599     -4.271523      2.927135
  C      -7.121613     -3.199856      2.238780
  O      -5.854719     -3.166448      2.175142
  C      -7.778277     -2.118026      1.471793
  F      -9.129416     -2.261732      1.352470
  S      -7.035097     -0.868438      0.739759
  C      -2.600222     -4.190566      5.594772
  C      -1.278114     -3.906010      6.004623
  C      -1.014874     -3.108074      7.110448
  C      -2.068289     -2.569826      7.856982
  C      -3.375787     -2.882477      7.513041
  C      -3.677476     -3.711843      6.414844
  C      -5.045959     -4.126824      6.132284
  O      -5.401244     -4.510731      4.944821
  C      -6.081627     -4.251885      7.138902
  F      -7.292316     -4.529671      6.557297
  S      -6.012604     -4.192457      8.779689
  H      -0.476778     -3.535598      0.918072
  H       1.337010     -1.991918      1.483940
  H       0.980759     -0.218317      3.221334
  H      -1.234470      0.009397      4.296995
  H      -7.454939     -7.543575      3.910018
  H      -9.764346     -7.203312      4.632323
  H     -10.854768     -4.962201      4.375692
  H      -9.620068     -3.130377      3.299175
  H      -0.443091     -4.253787      5.398819
  H       0.019929     -2.873556      7.366262
  H      -1.869768     -1.904069      8.696928
  H      -4.199045     -2.467566      8.089037
  N      -4.661516     -4.508113      0.328358
  N      -5.037644     -5.013890     -0.911582
  H      -5.051296     -4.376145     -1.699516
  H      -5.157524     -5.994296     -1.149055
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.879540333765
  N      -2.957189     -3.533640      1.907006
  C      -2.853954     -4.229553      0.679451
  C      -2.402507     -5.645585      0.948443
  N      -3.235627     -6.194148      2.051262
  C      -4.268383     -7.152300      1.612275
  C      -5.423675     -7.122444      2.589119
  N      -5.850178     -5.743302      2.781596
  Mo     -4.386096     -4.290894      3.189937
  N      -2.836422     -4.877771      4.417513
  C      -1.753938     -5.718119      3.932344
  C      -2.371412     -6.807344      3.085215
  H      -1.226640     -6.183481      4.779940
  H      -1.003120     -5.141359      3.359952
  H      -2.992911     -7.447849      3.725363
  H      -1.603566     -7.436933      2.604464
  H      -6.249312     -7.721847      2.173219
  H      -5.133783     -7.599334      3.546590
  H      -4.614570     -6.865064      0.617889
  H      -3.843147     -8.169010      1.546633
  H      -2.287417     -3.705176     -0.105483
  H      -4.178283     -3.684745     -0.166992
  H      -1.358632     -5.631699      1.301377
  H      -2.442750     -6.286096      0.052162
  C      -1.944822     -2.641310      2.242993
  C      -0.671639     -2.739839      1.630754
  C       0.362300     -1.874951      1.955671
  C       0.163814     -0.879891      2.923076
  C      -1.075641     -0.750049      3.527602
  C      -2.156834     -1.598534      3.203942
  C      -3.440593     -1.462969      3.857157
  O      -4.211117     -2.513547      3.988973
  C      -3.980161     -0.247256      4.402051
  F      -5.159199     -0.485181      5.062872
  S      -3.468021      1.311808      4.282577
  C      -7.164581     -5.540669      3.135160
  C      -7.925416     -6.580781      3.724425
  C      -9.230531     -6.383557      4.147827
  C      -9.845073     -5.133733      4.000558
  C      -9.146282     -4.105593      3.388916
  C      -7.823869     -4.274634      2.924858
  C      -7.118282     -3.203292      2.239818
  O      -5.850685     -3.171275      2.188349
  C      -7.768554     -2.121404      1.470647
  F      -9.117827     -2.272035      1.334401
  S      -7.022682     -0.865174      0.752216
  C      -2.600050     -4.188215      5.601703
  C      -1.278627     -3.900647      6.011300
  C      -1.018305     -3.099255      7.115356
  C      -2.073579     -2.561057      7.859539
  C      -3.380273     -2.878369      7.516606
  C      -3.678705     -3.711243      6.420342
  C      -5.045309     -4.131843      6.136727
  O      -5.399174     -4.513653      4.948489
  C      -6.078560     -4.265294      7.144668
  F      -7.289927     -4.542896      6.564783
  S      -6.003602     -4.215966      8.785492
  H      -0.480829     -3.534756      0.910615
  H       1.334241     -1.992520      1.473564
  H       0.981505     -0.218433      3.211878
  H      -1.232190      0.009534      4.290261
  H      -7.454644     -7.543969      3.913245
  H      -9.764792     -7.203754      4.631018
  H     -10.856394     -4.963897      4.369973
  H      -9.620654     -3.132578      3.290405
  H      -0.442771     -4.247822      5.406189
  H       0.015660     -2.861460      7.371531
  H      -1.876760     -1.891677      8.696994
  H      -4.204895     -2.464821      8.091753
  N      -4.659505     -4.482572      0.289939
  N      -5.046868     -4.998519     -0.935232
  H      -5.063804     -4.373117     -1.733050
  H      -5.156092     -5.984728     -1.150727
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.886753407010
  N      -2.958459     -3.536563      1.903468
  C      -2.849225     -4.240437      0.681128
  C      -2.406333     -5.655891      0.950278
  N      -3.238831     -6.197087      2.056913
  C      -4.271895     -7.154245      1.617327
  C      -5.425307     -7.123907      2.594810
  N      -5.849057     -5.743617      2.781417
  Mo     -4.382765     -4.291375      3.193579
  N      -2.836220     -4.876517      4.424883
  C      -1.755401     -5.717355      3.937011
  C      -2.376247     -6.807980      3.093992
  H      -1.223660     -6.181798      4.782408
  H      -1.007519     -5.140913      3.360356
  H      -2.999621     -7.444424      3.736309
  H      -1.609860     -7.441327      2.615783
  H      -6.251602     -7.723779      2.180950
  H      -5.135016     -7.599655      3.552739
  H      -4.618137     -6.864553      0.623164
  H      -3.846585     -8.170923      1.550298
  H      -2.284936     -3.720747     -0.107693
  H      -4.182642     -3.638060     -0.181967
  H      -1.360615     -5.648130      1.298623
  H      -2.452974     -6.298265      0.055805
  C      -1.947735     -2.640481      2.237065
  C      -0.675096     -2.738065      1.622986
  C       0.359485     -1.873434      1.945874
  C       0.162990     -0.878310      2.913597
  C      -1.075174     -0.749405      3.520520
  C      -2.157347     -1.597963      3.199306
  C      -3.437214     -1.463465      3.860381
  O      -4.209700     -2.512076      3.991552
  C      -3.972011     -0.249220      4.414927
  F      -5.146268     -0.489735      5.082960
  S      -3.460399      1.310119      4.299468
  C      -7.164403     -5.541820      3.136039
  C      -7.924621     -6.580742      3.727582
  C      -9.230942     -6.383397      4.148408
  C      -9.846650     -5.134956      3.996498
  C      -9.147760     -4.107841      3.382516
  C      -7.824773     -4.278025      2.921963
  C      -7.115486     -3.207427      2.239872
  O      -5.847304     -3.176613      2.201048
  C      -7.759235     -2.125751      1.467880
  F      -9.106285     -2.283662      1.314123
  S      -7.010873     -0.862930      0.763222
  C      -2.599662     -4.186815      5.608437
  C      -1.278808     -3.896495      6.017564
  C      -1.021029     -3.091595      7.119713
  C      -2.077911     -2.553170      7.861685
  C      -3.383900     -2.874889      7.519979
  C      -3.679463     -3.711263      6.425770
  C      -5.044410     -4.137076      6.141566
  O      -5.397507     -4.516928      4.952851
  C      -6.074912     -4.278381      7.151286
  F      -7.287279     -4.555260      6.573609
  S      -5.993329     -4.239188      8.792000
  H      -0.485427     -3.532942      0.902606
  H       1.330487     -1.991379      1.461923
  H       0.981103     -0.216843      3.201170
  H      -1.230605      0.010370      4.283186
  H      -7.454163     -7.543421      3.919683
  H      -9.765260     -7.203045      4.632472
  H     -10.858774     -4.965150      4.363763
  H      -9.622434     -3.135323      3.279127
  H      -0.442301     -4.243491      5.413135
  H       0.012199     -2.850824      7.376101
  H      -1.882575     -1.880180      8.696596
  H      -4.209694     -2.462466      8.094375
  N      -4.653564     -4.454337      0.254446
  N      -5.049831     -4.981347     -0.960928
  H      -5.068354     -4.368349     -1.768423
  H      -5.146996     -5.972550     -1.155584
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.893296564998
  N      -2.960059     -3.539163      1.900437
  C      -2.846118     -4.250750      0.682632
  C      -2.411432     -5.666065      0.952540
  N      -3.242904     -6.200263      2.063021
  C      -4.276323     -7.156783      1.623091
  C      -5.427663     -7.125813      2.601579
  N      -5.848749     -5.744260      2.781704
  Mo     -4.379759     -4.291887      3.197463
  N      -2.836218     -4.876156      4.431719
  C      -1.757068     -5.717585      3.941215
  C      -2.381605     -6.809484      3.102484
  H      -1.220628     -6.180855      4.784333
  H      -1.012454     -5.141421      3.359961
  H      -3.006846     -7.441686      3.747106
  H      -1.617051     -7.446769      2.626513
  H      -6.254740     -7.726183      2.190089
  H      -5.136826     -7.599820      3.560205
  H      -4.623995     -6.864336      0.629749
  H      -3.850525     -8.173140      1.553874
  H      -2.282708     -3.735682     -0.108989
  H      -4.186752     -3.590250     -0.195743
  H      -1.363852     -5.664161      1.295667
  H      -2.465243     -6.309929      0.059701
  C      -1.950920     -2.639457      2.231234
  C      -0.678996     -2.735761      1.614953
  C       0.356030     -1.871007      1.935509
  C       0.161424     -0.875878      2.903554
  C      -1.075324     -0.748328      3.513254
  C      -2.158269     -1.597333      3.194850
  C      -3.434259     -1.464073      3.863776
  O      -4.208885     -2.510597      3.994335
  C      -3.964354     -0.251221      4.427680
  F      -5.133698     -0.494425      5.103005
  S      -3.453512      1.308414      4.315893
  C      -7.164818     -5.542954      3.137646
  C      -7.924095     -6.580189      3.732843
  C      -9.231627     -6.382675      4.150821
  C      -9.848968     -5.136025      3.992566
  C      -9.150295     -4.110410      3.375219
  C      -7.826516     -4.281671      2.918583
  C      -7.113614     -3.212102      2.239100
  O      -5.845029     -3.182104      2.212985
  C      -7.751097     -2.130914      1.463806
  F      -9.095551     -2.296401      1.292435
  S      -7.000666     -0.861564      0.772849
  C      -2.599123     -4.186183      5.614597
  C      -1.278714     -3.893365      6.023032
  C      -1.023061     -3.085105      7.123272
  C      -2.081260     -2.546341      7.863345
  C      -3.386650     -2.872133      7.523056
  C      -3.679778     -3.711823      6.430890
  C      -5.043303     -4.142360      6.146549
  O      -5.396317     -4.520351      4.957650
  C      -6.070813     -4.290926      7.158463
  F      -7.284467     -4.566454      6.583389
  S      -5.982060     -4.261851      8.798905
  H      -0.490309     -3.530590      0.894345
  H       1.326008     -1.989027      1.449485
  H       0.979789     -0.214079      3.189644
  H      -1.229582      0.011611      4.275957
  H      -7.453508     -7.541926      3.929275
  H      -9.765766     -7.201340      4.636756
  H     -10.862034     -4.966218      4.357271
  H      -9.625690     -3.138761      3.265703
  H      -0.441732     -4.240468      5.419207
  H       0.009547     -2.841694      7.379699
  H      -1.887157     -1.869957      8.695814
  H      -4.213411     -2.460700      8.096891
  N      -4.643525     -4.423591      0.222279
  N      -5.045591     -4.962553     -0.987896
  H      -5.063584     -4.361792     -1.804646
  H      -5.129467     -5.957992     -1.162704
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.899338022277
  N      -2.962027     -3.541392      1.897915
  C      -2.844921     -4.260289      0.683725
  C      -2.417875     -5.675772      0.954990
  N      -3.247798     -6.203530      2.069269
  C      -4.281650     -7.159754      1.629455
  C      -5.430700     -7.127961      2.609363
  N      -5.849377     -5.745101      2.782448
  Mo     -4.377280     -4.292336      3.201359
  N      -2.836472     -4.876391      4.437658
  C      -1.758878     -5.718395      3.944608
  C      -2.387277     -6.811550      3.110345
  H      -1.217547     -6.180167      4.785433
  H      -1.017837     -5.142450      3.358498
  H      -3.014199     -7.439429      3.757488
  H      -1.624897     -7.452832      2.636205
  H      -6.258607     -7.728992      2.200600
  H      -5.139128     -7.599590      3.568927
  H      -4.631979     -6.864447      0.637432
  H      -3.855083     -8.175579      1.557457
  H      -2.280841     -3.749970     -0.109701
  H      -4.190428     -3.541633     -0.208332
  H      -1.368451     -5.679135      1.292296
  H      -2.479403     -6.320803      0.063636
  C      -1.954259     -2.638495      2.225606
  C      -0.683219     -2.733299      1.606820
  C       0.352116     -1.868154      1.924867
  C       0.159340     -0.873108      2.893289
  C      -1.075902     -0.747183      3.506050
  C      -2.159461     -1.596876      3.190675
  C      -3.431716     -1.464888      3.867151
  O      -4.208687     -2.509256      3.997040
  C      -3.957201     -0.253364      4.440015
  F      -5.121677     -0.499258      5.122488
  S      -3.447222      1.306565      4.331701
  C      -7.165949     -5.544029      3.139971
  C      -7.923935     -6.579159      3.740068
  C      -9.232655     -6.381505      4.155038
  C      -9.852101     -5.137048      3.988980
  C      -9.154009     -4.113332      3.367362
  C      -7.829254     -4.285506      2.914905
  C      -7.112989     -3.217150      2.237668
  O      -5.844222     -3.187455      2.223926
  C      -7.744774     -2.136704      1.458732
  F      -9.086296     -2.309940      1.270114
  S      -6.992816     -0.860981      0.781080
  C      -2.598498     -4.186088      5.619875
  C      -1.278419     -3.891006      6.027402
  C      -1.024464     -3.079723      7.125871
  C      -2.083677     -2.540691      7.864506
  C      -3.388576     -2.870173      7.525777
  C      -3.679715     -3.712829      6.435505
  C      -5.042049     -4.147563      6.151439
  O      -5.395642     -4.523762      4.962622
  C      -6.066424     -4.302774      7.165887
  F      -7.281594     -4.576336      6.593703
  S      -5.970142     -4.283724      8.805899
  H      -0.495373     -3.528019      0.885944
  H       1.321003     -1.985995      1.436577
  H       0.977841     -0.210752      3.177710
  H      -1.228915      0.012904      4.268815
  H      -7.452742     -7.539516      3.941736
  H      -9.766337     -7.198796      4.643800
  H     -10.866219     -4.967274      4.350827
  H      -9.630549     -3.142937      3.250723
  H      -0.441118     -4.238326      5.424037
  H       0.007646     -2.834012      7.382154
  H      -1.890550     -1.861308      8.694784
  H      -4.216100     -2.459705      8.099316
  N      -4.629231     -4.390899      0.193796
  N      -5.033360     -4.942645     -1.014895
  H      -5.048460     -4.353863     -1.840391
  H      -5.102898     -5.941651     -1.170561
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.905032304457
  N      -2.964412     -3.543196      1.895888
  C      -2.845843     -4.268853      0.684173
  C      -2.425689     -5.684702      0.957340
  N      -3.253507     -6.206698      2.075301
  C      -4.287894     -7.162897      1.636136
  C      -5.434396     -7.130156      2.617936
  N      -5.851028     -5.746017      2.783628
  Mo     -4.375465     -4.292659      3.205063
  N      -2.837010     -4.876955      4.442449
  C      -1.760823     -5.719446      3.946915
  C      -2.393169     -6.813870      3.117239
  H      -1.214495     -6.179427      4.785468
  H      -1.023611     -5.143652      3.355792
  H      -3.021457     -7.437460      3.767131
  H      -1.633258     -7.459083      2.644438
  H      -6.263142     -7.732065      2.212254
  H      -5.141795     -7.598855      3.578598
  H      -4.641894     -6.864699      0.645843
  H      -3.860409     -8.178047      1.560892
  H      -2.279306     -3.763526     -0.110022
  H      -4.193252     -3.492701     -0.219694
  H      -1.374476     -5.692502      1.288342
  H      -2.495170     -6.330613      0.067304
  C      -1.957685     -2.637786      2.220265
  C      -0.687694     -2.730966      1.598701
  C       0.347879     -1.865292      1.914180
  C       0.156936     -0.870453      2.883095
  C      -1.076733     -0.746282      3.499129
  C      -2.160806     -1.596768      3.186874
  C      -3.429575     -1.465976      3.870357
  O      -4.209086     -2.508193      3.999412
  C      -3.950589     -0.255745      4.451693
  F      -5.110434     -0.504234      5.140916
  S      -3.441426      1.304458      4.346775
  C      -7.167853     -5.544995      3.143011
  C      -7.924200     -6.577689      3.749068
  C      -9.234030     -6.379957      4.161051
  C      -9.856010     -5.138050      3.986088
  C      -9.158890     -4.116559      3.359421
  C      -7.833038     -4.289433      2.911185
  C      -7.113830     -3.222427      2.235709
  O      -5.845114     -3.192437      2.233605
  C      -7.740786     -2.142989      1.452916
  F      -9.079132     -2.324023      1.248001
  S      -6.987985     -0.861145      0.787817
  C      -2.597864     -4.186326      5.624052
  C      -1.278012     -3.889190      6.030486
  C      -1.025347     -3.075360      7.127428
  C      -2.085280     -2.536273      7.865177
  C      -3.389790     -2.869036      7.528095
  C      -3.679373     -3.714183      6.439452
  C      -5.040736     -4.152580      6.156026
  O      -5.395506     -4.527051      4.967517
  C      -6.061931     -4.313807      7.173258
  F      -7.278781     -4.584840      6.604135
  S      -5.957976     -4.304575      8.812688
  H      -0.500614     -3.525441      0.877422
  H       1.315608     -1.982744      1.423455
  H       0.975512     -0.207416      3.165719
  H      -1.228400      0.013940      4.261980
  H      -7.451946     -7.536264      3.956664
  H      -9.766955     -7.195532      4.653514
  H     -10.871225     -4.968381      4.344956
  H      -9.636967     -3.147770      3.234975
  H      -0.440524     -4.236679      5.427383
  H       0.006382     -2.827669      7.383381
  H      -1.892883     -1.854415      8.693625
  H      -4.217880     -2.459588      8.101644
  N      -4.610446     -4.357056      0.169292
  N      -5.012505     -4.922331     -1.040612
  H      -5.022234     -4.345207     -1.874299
  H      -5.066851     -5.924296     -1.177620
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.910528785086
  N      -2.967266     -3.544501      1.894327
  C      -2.848977     -4.276224      0.683748
  C      -2.434866     -5.692571      0.959245
  N      -3.260085     -6.209552      2.080723
  C      -4.295155     -7.165941      1.642762
  C      -5.438757     -7.132243      2.627036
  N      -5.853752     -5.746914      2.785247
  Mo     -4.374383     -4.292821      3.208392
  N      -2.837844     -4.877641      4.445932
  C      -1.762954     -5.720513      3.947899
  C      -2.399317     -6.816168      3.122819
  H      -1.211603     -6.178534      4.784185
  H      -1.029760     -5.144793      3.351708
  H      -3.028581     -7.435616      3.775651
  H      -1.642124     -7.465140      2.650791
  H      -6.268355     -7.735256      2.224808
  H      -5.144673     -7.597599      3.588831
  H      -4.653749     -6.864873      0.654580
  H      -3.866707     -8.180333      1.563881
  H      -2.277905     -3.776127     -0.110008
  H      -4.194631     -3.444279     -0.229723
  H      -1.381971     -5.703843      1.283674
  H      -2.512197     -6.339074      0.070324
  C      -1.961183     -2.637407      2.215285
  C      -0.692385     -2.728896      1.590719
  C       0.343404     -1.862669      1.903715
  C       0.154315     -0.868193      2.873275
  C      -1.077747     -0.745796      3.492699
  C      -2.162268     -1.597085      3.183534
  C      -3.427899     -1.467359      3.873279
  O      -4.210080     -2.507533      4.001223
  C      -3.944679     -0.258443      4.462515
  F      -5.100309     -0.509381      5.157853
  S      -3.436199      1.302009      4.361032
  C      -7.170532     -5.545788      3.146808
  C      -7.924919     -6.575768      3.759733
  C      -9.235697     -6.377985      4.168982
  C      -9.860551     -5.138913      3.984386
  C      -9.164811     -4.119936      3.351962
  C      -7.837838     -4.293321      2.907708
  C      -7.116250     -3.227834      2.233284
  O      -5.847812     -3.196868      2.241699
  C      -7.739503     -2.149731      1.446461
  F      -9.074534     -2.338558      1.226655
  S      -6.986635     -0.862176      0.792722
  C      -2.597275     -4.186759      5.626982
  C      -1.277559     -3.887799      6.032178
  C      -1.025792     -3.072001      7.127916
  C      -2.086165     -2.533142      7.865374
  C      -3.390382     -2.868731      7.529961
  C      -3.678841     -3.715805      6.442595
  C      -5.039435     -4.157327      6.160124
  O      -5.395903     -4.530151      4.972114
  C      -6.057478     -4.323938      7.180307
  F      -7.276106     -4.591992      6.614334
  S      -5.945889     -4.324202      8.819018
  H      -0.506039     -3.522921      0.868823
  H       1.309920     -1.979553      1.410431
  H       0.972942     -0.204435      3.154048
  H      -1.227968      0.014540      4.255671
  H      -7.451203     -7.532216      3.973723
  H      -9.767556     -7.191530      4.665953
  H     -10.876821     -4.969399      4.340378
  H      -9.644747     -3.153057      3.219331
  H      -0.440002     -4.235308      5.429108
  H       0.005667     -2.822654      7.383373
  H      -1.894256     -1.849421      8.692429
  H      -4.218844     -2.460387      8.103837
  N      -4.586845     -4.323010      0.148990
  N      -4.982508     -4.902422     -1.063948
  H      -4.984335     -4.336524     -1.905183
  H      -5.020965     -5.906756     -1.182746
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.915968257701
  N      -2.970561     -3.545271      1.893254
  C      -2.854268     -4.282269      0.682271
  C      -2.445410     -5.699195      0.960416
  N      -3.267656     -6.211877      2.085147
  C      -4.303612     -7.168571      1.648872
  C      -5.443833     -7.134082      2.636340
  N      -5.857552     -5.747701      2.787335
  Mo     -4.374022     -4.292818      3.211215
  N      -2.838955     -4.878350      4.448015
  C      -1.765360     -5.721527      3.947353
  C      -2.405877     -6.818258      3.126730
  H      -1.209040     -6.177613      4.781327
  H      -1.036293     -5.145808      3.346141
  H      -3.035690     -7.433811      3.782635
  H      -1.651629     -7.470739      2.654836
  H      -6.274340     -7.738351      2.237937
  H      -5.147656     -7.595900      3.599143
  H      -4.667722     -6.864613      0.663181
  H      -3.874251     -8.182164      1.565941
  H      -2.276237     -3.787600     -0.109566
  H      -4.193828     -3.397512     -0.238254
  H      -1.391014     -5.712983      1.278299
  H      -2.530169     -6.345973      0.072356
  C      -1.964710     -2.637391      2.210803
  C      -0.697185     -2.727122      1.583126
  C       0.338763     -1.860331      1.893835
  C       0.151460     -0.866351      2.864160
  C      -1.079015     -0.745717      3.486962
  C      -2.163875     -1.597826      3.180758
  C      -3.426822     -1.469047      3.875830
  O      -4.211673     -2.507411      4.002307
  C      -3.939806     -0.261515      4.472235
  F      -5.091810     -0.514748      5.172806
  S      -3.431904      1.299185      4.374243
  C      -7.173921     -5.546320      3.151432
  C      -7.926065     -6.573350      3.771980
  C      -9.237551     -6.375485      4.178949
  C      -9.865518     -5.139445      3.984324
  C      -9.171565     -4.123263      3.345492
  C      -7.843525     -4.297021      2.904751
  C      -7.120230     -3.233290      2.230414
  O      -5.852280     -3.200577      2.247862
  C      -7.741186     -2.156968      1.439388
  F      -9.072893     -2.353584      1.206607
  S      -6.989182     -0.864205      0.795405
  C      -2.596734     -4.187339      5.628566
  C      -1.277060     -3.886836      6.032410
  C      -1.025791     -3.069697      7.127300
  C      -2.086323     -2.531350      7.865068
  C      -3.390344     -2.869245      7.531310
  C      -3.678136     -3.717636      6.444828
  C      -5.038152     -4.161727      6.163593
  O      -5.396778     -4.533009      4.976254
  C      -6.053116     -4.333056      7.186844
  F      -7.273578     -4.597794      6.624064
  S      -5.934073     -4.342325      8.824719
  H      -0.511508     -3.520460      0.860384
  H       1.304056     -1.976457      1.397963
  H       0.970092     -0.201834      3.143082
  H      -1.227773      0.014728      4.250048
  H      -7.450557     -7.527394      3.992622
  H      -9.768047     -7.186703      4.681156
  H     -10.882723     -4.970099      4.337733
  H      -9.653610     -3.158540      3.204541
  H      -0.439555     -4.234185      5.429124
  H       0.005509     -2.819035      7.382103
  H      -1.894644     -1.846419      8.691200
  H      -4.218970     -2.462062      8.105823
  N      -4.558135     -4.289785      0.133107
  N      -4.943080     -4.883732     -1.083940
  H      -4.934456     -4.328470     -1.931940
  H      -4.965156     -5.889857     -1.185076
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.921441370030
  N      -2.974243     -3.545498      1.892695
  C      -2.861659     -4.286955      0.679568
  C      -2.457303     -5.704436      0.960613
  N      -3.276300     -6.213413      2.088256
  C      -4.313358     -7.170370      1.653969
  C      -5.449631     -7.135499      2.645455
  N      -5.862344     -5.748243      2.789915
  Mo     -4.374292     -4.292649      3.213472
  N      -2.840278     -4.878996      4.448698
  C      -1.768095     -5.722438      3.945146
  C      -2.412983     -6.819944      3.128698
  H      -1.206926     -6.176818      4.776701
  H      -1.043190     -5.146639      3.339057
  H      -3.042903     -7.431928      3.787747
  H      -1.661903     -7.475622      2.656225
  H      -6.281154     -7.741042      2.251159
  H      -5.150659     -7.593885      3.608957
  H      -4.683766     -6.863274      0.671136
  H      -3.883220     -8.183153      1.566459
  H      -2.273992     -3.797870     -0.108641
  H      -4.190334     -3.353857     -0.245065
  H      -1.401635     -5.719834      1.272221
  H      -2.548819     -6.351186      0.073154
  C      -1.968235     -2.637728      2.206939
  C      -0.701988     -2.725601      1.576171
  C       0.334007     -1.858214      1.884903
  C       0.148301     -0.864843      2.856066
  C      -1.080664     -0.745970      3.482106
  C      -2.165686     -1.598955      3.178641
  C      -3.426485     -1.471051      3.877980
  O      -4.213845     -2.507983      4.002580
  C      -3.936328     -0.265033      4.480688
  F      -5.085402     -0.520445      5.185457
  S      -3.428997      1.295955      4.386227
  C      -7.177886     -5.546470      3.156902
  C      -7.927556     -6.570365      3.785658
  C      -9.239472     -6.372350      4.190889
  C      -9.870717     -5.139474      3.986090
  C      -9.178933     -4.126339      3.340302
  C      -7.849920     -4.300369      2.902486
  C      -7.125641     -3.238698      2.227093
  O      -5.858370     -3.203387      2.251792
  C      -7.745914     -2.164714      1.431654
  F      -9.074368     -2.369194      1.188041
  S      -6.995780     -0.867353      0.795470
  C      -2.596185     -4.188023      5.628786
  C      -1.276448     -3.886348      6.031194
  C      -1.025247     -3.068548      7.125616
  C      -2.085636     -2.530958      7.864293
  C      -3.389575     -2.870537      7.532142
  C      -3.677200     -3.719590      6.446120
  C      -5.036823     -4.165654      6.166373
  O      -5.397990     -4.535530      4.979865
  C      -6.048824     -4.340984      7.192752
  F      -7.271132     -4.602173      6.633164
  S      -5.922638     -4.358623      8.829701
  H      -0.516842     -3.518010      0.852382
  H       1.298117     -1.973374      1.386522
  H       0.966851     -0.199514      3.133203
  H      -1.228052      0.014578      4.245282
  H      -7.449989     -7.521786      4.013045
  H      -9.768336     -7.180974      4.698946
  H     -10.888699     -4.970293      4.337302
  H      -9.663289     -3.163981      3.191068
  H      -0.439135     -4.233384      5.427436
  H       0.006010     -2.816977      7.379630
  H      -1.893894     -1.845518      8.690003
  H      -4.218130     -2.464523      8.107599
  N      -4.524407     -4.258567      0.121880
  N      -4.894591     -4.867215     -1.099518
  H      -4.873088     -4.321853     -1.953361
  H      -4.900071     -5.874594     -1.183685
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.926937933027
  N      -2.978295     -3.545219      1.892624
  C      -2.871208     -4.290154      0.675359
  C      -2.470415     -5.708085      0.959449
  N      -3.285968     -6.213872      2.089764
  C      -4.324291     -7.170957      1.657684
  C      -5.456026     -7.136310      2.654049
  N      -5.867950     -5.748383      2.792923
  Mo     -4.375081     -4.292321      3.215087
  N      -2.841727     -4.879368      4.448051
  C      -1.771141     -5.722992      3.941203
  C      -2.420580     -6.820866      3.128512
  H      -1.205277     -6.176061      4.770178
  H      -1.050384     -5.146986      3.330476
  H      -3.050108     -7.429697      3.790749
  H      -1.672845     -7.479335      2.654696
  H      -6.288675     -7.743099      2.264086
  H      -5.153497     -7.591573      3.617820
  H      -4.701477     -6.860293      0.678032
  H      -3.893606     -8.182959      1.565029
  H      -2.271042     -3.806701     -0.107272
  H      -4.184197     -3.314958     -0.249877
  H      -1.413673     -5.724160      1.265113
  H      -2.567814     -6.354621      0.072409
  C      -1.971747     -2.638445      2.203778
  C      -0.706731     -2.724345      1.570020
  C       0.329192     -1.856381      1.877203
  C       0.144869     -0.863772      2.849317
  C      -1.082696     -0.746643      3.478375
  C      -2.167687     -1.600523      3.177312
  C      -3.426919     -1.473436      3.879791
  O      -4.216499     -2.509429      4.001990
  C      -3.934369     -0.269159      4.487961
  F      -5.081272     -0.526665      5.195812
  S      -3.427575      1.292170      4.397194
  C      -7.182237     -5.546116      3.163141
  C      -7.929252     -6.566738      3.800526
  C      -9.241313     -6.368487      4.204570
  C      -9.875964     -5.138866      3.989619
  C      -9.186699     -4.129005      3.336447
  C      -7.856821     -4.303227      2.900952
  C      -7.132305     -3.243971      2.223276
  O      -5.865893     -3.205154      2.253204
  C      -7.753668     -2.172983      1.423188
  F      -9.079041     -2.385426      1.171122
  S      -7.006498     -0.871633      0.792683
  C      -2.595610     -4.188645      5.627691
  C      -1.275697     -3.886269      6.028625
  C      -1.024124     -3.068593      7.123029
  C      -2.084064     -2.532013      7.863222
  C      -3.388045     -2.872533      7.532564
  C      -3.676026     -3.721506      6.446517
  C      -5.035415     -4.168922      6.168428
  O      -5.399367     -4.537567      4.982883
  C      -6.044652     -4.347478      7.197891
  F      -7.268777     -4.604900      6.641401
  S      -5.911830     -4.372714      8.833866
  H      -0.521981     -3.515569      0.844966
  H       1.292193     -1.970366      1.376463
  H       0.963256     -0.197624      3.124814
  H      -1.228866      0.013956      4.241653
  H      -7.449413     -7.515358      4.034654
  H      -9.768297     -7.174274      4.718992
  H     -10.894554     -4.969848      4.339043
  H      -9.673531     -3.169184      3.179081
  H      -0.438734     -4.232848      5.424130
  H       0.007203     -2.816586      7.376179
  H      -1.891931     -1.846866      8.689077
  H      -4.216279     -2.467679      8.109279
  N      -4.486359     -4.230822      0.115325
  N      -4.838170     -4.853994     -1.109696
  H      -4.801641     -4.317578     -1.968283
  H      -4.826996     -5.862107     -1.177942
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.932284596276
  N      -2.982780     -3.544590      1.892926
  C      -2.882942     -4.291429      0.669365
  C      -2.484103     -5.709878      0.956289
  N      -3.296357     -6.213120      2.089500
  C      -4.336016     -7.170282      1.659929
  C      -5.462714     -7.136468      2.661874
  N      -5.874135     -5.748053      2.796159
  Mo     -4.376355     -4.291895      3.215985
  N      -2.843272     -4.879065      4.446373
  C      -1.774421     -5.722634      3.935645
  C      -2.428275     -6.820507      3.126219
  H      -1.203996     -6.174862      4.761847
  H      -1.057789     -5.146157      3.320620
  H      -3.056800     -7.426760      3.791659
  H      -1.683850     -7.481178      2.650362
  H      -6.296511     -7.744632      2.276544
  H      -5.155815     -7.588896      3.625477
  H      -4.720038     -6.855700      0.683724
  H      -3.905065     -8.181579      1.561746
  H      -2.267271     -3.813333     -0.105369
  H      -4.176908     -3.281774     -0.252582
  H      -1.426374     -5.725482      1.256210
  H      -2.586199     -6.356388      0.069807
  C      -1.975216     -2.639658      2.201454
  C      -0.711381     -2.723607      1.564791
  C       0.324517     -1.855288      1.870898
  C       0.141549     -0.863639      2.844173
  C      -1.084726     -0.748092      3.476021
  C      -2.169632     -1.602690      3.176947
  C      -3.427844     -1.476201      3.881455
  O      -4.219410     -2.511689      4.000563
  C      -3.933432     -0.273957      4.494598
  F      -5.078949     -0.533450      5.204376
  S      -3.426765      1.287682      4.408167
  C      -7.186828     -5.545222      3.170008
  C      -7.931059     -6.562502      3.816220
  C      -9.242981     -6.363857      4.219743
  C      -9.881061     -5.137490      3.994976
  C      -9.194591     -4.131064      3.334109
  C      -7.864031     -4.305508      2.900239
  C      -7.139954     -3.249087      2.218953
  O      -5.874506     -3.206087      2.252056
  C      -7.763989     -2.181871      1.413856
  F      -9.086488     -2.402550      1.155475
  S      -7.020851     -0.877155      0.786767
  C      -2.595185     -4.188843      5.625608
  C      -1.274989     -3.886200      6.025060
  C      -1.022694     -3.069467      7.119941
  C      -2.081965     -2.534245      7.862199
  C      -3.386106     -2.875009      7.532852
  C      -3.674876     -3.723148      6.446273
  C      -5.034130     -4.171489      6.169866
  O      -5.400853     -4.539097      4.985317
  C      -6.040860     -4.352603      7.202214
  F      -7.266740     -4.606087      6.648586
  S      -5.902100     -4.384771      8.837244
  H      -0.527114     -3.513403      0.838192
  H       1.286458     -1.968001      1.367896
  H       0.959818     -0.196810      3.118212
  H      -1.229804      0.012490      4.239462
  H      -7.448836     -7.508247      4.056927
  H      -9.767854     -7.166603      4.740973
  H     -10.900051     -4.968572      4.343161
  H      -9.683933     -3.173829      3.169006
  H      -0.438535     -4.232095      5.419485
  H       0.008789     -2.817382      7.372204
  H      -1.889157     -1.850208      8.688792
  H      -4.213809     -2.471338      8.111114
  N      -4.445946     -4.207869      0.112187
  N      -4.776479     -4.845045     -1.115098
  H      -4.723344     -4.316278     -1.977193
  H      -4.748195     -5.853290     -1.169158
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.937180850677
  N      -2.987853     -3.543878      1.893411
  C      -2.896539     -4.290460      0.661925
  C      -2.497165     -5.709849      0.951214
  N      -3.306631     -6.211369      2.088003
  C      -4.347481     -7.168835      1.661217
  C      -5.469083     -7.136214      2.668889
  N      -5.880623     -5.747414      2.799380
  Mo     -4.378144     -4.291471      3.216397
  N      -2.844908     -4.877784      4.444341
  C      -1.777682     -5.720796      3.929151
  C      -2.435255     -6.818606      3.122601
  H      -1.202678     -6.172484      4.752401
  H      -1.065274     -5.143353      3.310203
  H      -3.062196     -7.423020      3.791128
  H      -1.693717     -7.480764      2.644397
  H      -6.303843     -7.746194      2.288545
  H      -5.157173     -7.585800      3.632095
  H      -4.737937     -6.850267      0.688647
  H      -3.916328     -8.179440      1.557407
  H      -2.262815     -3.817201     -0.102556
  H      -4.172781     -3.252836     -0.253887
  H      -1.438395     -5.723600      1.245253
  H      -2.602801     -6.357193      0.065980
  C      -1.978700     -2.641346      2.199875
  C      -0.716036     -2.723811      1.560361
  C       0.320282     -1.855752      1.865733
  C       0.139069     -0.865196      2.840386
  C      -1.085984     -0.750681      3.474842
  C      -2.171135     -1.605425      3.177404
  C      -3.428633     -1.478992      3.883234
  O      -4.222297     -2.513986      3.998632
  C      -3.932193     -0.278966      4.501622
  F      -5.076914     -0.540263      5.212440
  S      -3.424649      1.282764      4.420798
  C      -7.191635     -5.544025      3.177237
  C      -7.933080     -6.557970      3.832095
  C      -9.244695     -6.358688      4.235634
  C      -9.886043     -5.135460      4.001596
  C      -9.202422     -4.132525      3.332961
  C      -7.871382     -4.307376      2.900220
  C      -7.148087     -3.254220      2.214200
  O      -5.883513     -3.207088      2.249239
  C      -7.775409     -2.191550      1.403560
  F      -9.095168     -2.420932      1.139986
  S      -7.037116     -0.883754      0.778315
  C      -2.595109     -4.188294      5.623291
  C      -1.274567     -3.885584      6.021291
  C      -1.021451     -3.070350      7.117043
  C      -2.080043     -2.536882      7.861661
  C      -3.384402     -2.877580      7.533432
  C      -3.674112     -3.724371      6.445963
  C      -5.033261     -4.173678      6.171191
  O      -5.402600     -4.540409      4.987571
  C      -6.037595     -4.357046      7.206239
  F      -7.265252     -4.606426      6.655325
  S      -5.893344     -4.395867      8.840396
  H      -0.532719     -3.512115      0.831999
  H       1.281155     -1.967514      1.360493
  H       0.957541     -0.198120      3.113152
  H      -1.229870      0.009845      4.238537
  H      -7.448521     -7.500904      4.079115
  H      -9.767367     -7.158260      4.763888
  H     -10.905264     -4.966493      4.349022
  H      -9.694103     -3.177753      3.160597
  H      -0.438740     -4.230469      5.414262
  H       0.010205     -2.818204      7.368457
  H      -1.886464     -1.854470      8.689408
  H      -4.211517     -2.475175      8.113404
  N      -4.407160     -4.189021      0.109321
  N      -4.714603     -4.840146     -1.119282
  H      -4.644263     -4.317875     -1.983921
  H      -4.667642     -5.847855     -1.160886
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.941379821735
  N      -2.993512     -3.543228      1.894147
  C      -2.911639     -4.287495      0.653868
  C      -2.509360     -5.708064      0.945027
  N      -3.316102     -6.208718      2.085977
  C      -4.357766     -7.166856      1.662052
  C      -5.474595     -7.135600      2.675200
  N      -5.887083     -5.746560      2.802391
  Mo     -4.380463     -4.290990      3.216650
  N      -2.846630     -4.875481      4.442388
  C      -1.780627     -5.717188      3.922299
  C      -2.440844     -6.815171      3.118288
  H      -1.200829     -6.168370      4.742420
  H      -1.072747     -5.138059      3.299791
  H      -3.065679     -7.418618      3.789641
  H      -1.701510     -7.478032      2.637722
  H      -6.309994     -7.747989      2.300165
  H      -5.157303     -7.582021      3.638023
  H      -4.753990     -6.844285      0.693023
  H      -3.926283     -8.176688      1.552631
  H      -2.257869     -3.818917     -0.098358
  H      -4.176786     -3.226644     -0.255060
  H      -1.449414     -5.718680      1.232608
  H      -2.618272     -6.357381      0.061958
  C      -1.982213     -2.643333      2.198988
  C      -0.720659     -2.725159      1.556851
  C       0.316716     -1.858176      1.861748
  C       0.137832     -0.868670      2.837835
  C      -1.086052     -0.754355      3.474642
  C      -2.171983     -1.608486      3.178550
  C      -3.428837     -1.481386      3.885367
  O      -4.225026     -2.515445      3.996541
  C      -3.929594     -0.283588      4.509766
  F      -5.073883     -0.546337      5.221075
  S      -3.419670      1.277794      4.436111
  C      -7.196471     -5.542799      3.184428
  C      -7.935135     -6.553502      3.847461
  C      -9.246464     -6.353454      4.251117
  C      -9.890888     -5.133282      4.008220
  C      -9.210009     -4.133747      3.332030
  C      -7.878583     -4.309114      2.900390
  C      -7.156077     -3.259468      2.209052
  O      -5.892131     -3.208814      2.245751
  C      -7.786343     -2.201961      1.392409
  F      -9.103319     -2.440528      1.123589
  S      -7.053267     -0.891058      0.768367
  C      -2.595378     -4.186950      5.621241
  C      -1.274457     -3.884269      6.017865
  C      -1.020541     -3.070913      7.114784
  C      -2.078516     -2.539502      7.861870
  C      -3.383109     -2.879998      7.534581
  C      -3.673764     -3.725103      6.445983
  C      -5.032845     -4.175495      6.172827
  O      -5.404705     -4.541410      4.990065
  C      -6.034770     -4.360949      7.210461
  F      -7.264317     -4.605861      6.662234
  S      -5.885144     -4.406753      8.843788
  H      -0.538784     -3.512110      0.826758
  H       1.276525     -1.969677      1.354411
  H       0.956966     -0.201962      3.109530
  H      -1.228510      0.006141      4.238643
  H      -7.448301     -7.493701      4.100546
  H      -9.766983     -7.149814      4.786317
  H     -10.910310     -4.964205      4.355001
  H      -9.703831     -3.181320      3.152684
  H      -0.439350     -4.227842      5.409078
  H       0.011266     -2.818621      7.365432
  H      -1.884163     -1.859019      8.691029
  H      -4.209643     -2.478933      8.116322
  N      -4.374305     -4.173053      0.104132
  N      -4.657268     -4.839149     -1.124990
  H      -4.569754     -4.322953     -1.991730
  H      -4.588759     -5.845762     -1.154526
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.944857100229
  N      -2.999447     -3.542775      1.895222
  C      -2.927277     -4.282802      0.646047
  C      -2.520480     -5.704567      0.938529
  N      -3.324324     -6.205391      2.083877
  C      -4.366554     -7.164612      1.662958
  C      -5.478841     -7.134724      2.681294
  N      -5.893079     -5.745676      2.805059
  Mo     -4.383230     -4.290507      3.216854
  N      -2.848456     -4.872473      4.440695
  C      -1.783034     -5.711960      3.915490
  C      -2.444660     -6.810491      3.113649
  H      -1.198171     -6.162469      4.732354
  H      -1.080067     -5.130333      3.289802
  H      -3.066899     -7.413902      3.787485
  H      -1.706743     -7.473252      2.630827
  H      -6.314522     -7.750247      2.312061
  H      -5.155837     -7.577289      3.643928
  H      -4.768423     -6.838257      0.697396
  H      -3.934680     -8.173614      1.548022
  H      -2.252239     -3.818877     -0.092267
  H      -4.192561     -3.202675     -0.257396
  H      -1.459205     -5.710925      1.219078
  H      -2.632489     -6.357178      0.058704
  C      -1.985694     -2.645428      2.198763
  C      -0.725183     -2.727495      1.554314
  C       0.313806     -1.862304      1.858871
  C       0.137786     -0.873702      2.836338
  C      -1.084918     -0.758802      3.475278
  C      -2.172144     -1.611644      3.180333
  C      -3.428241     -1.483288      3.888094
  O      -4.227521     -2.515681      3.994469
  C      -3.925238     -0.287682      4.519522
  F      -5.069342     -0.551572      5.230867
  S      -3.411489      1.272853      4.454601
  C      -7.200914     -5.541764      3.191275
  C      -7.936802     -6.549223      3.862114
  C      -9.247959     -6.348276      4.265708
  C      -9.895210     -5.131149      4.014044
  C      -9.216852     -4.134957      3.330532
  C      -7.885067     -4.310945      2.900242
  C      -7.163081     -3.264931      2.203407
  O      -5.899448     -3.211635      2.242082
  C      -7.795333     -2.212977      1.380526
  F      -9.109447     -2.460828      1.105950
  S      -7.067442     -0.898768      0.757773
  C      -2.596045     -4.185111      5.619672
  C      -1.274756     -3.882497      6.015094
  C      -1.020130     -3.071287      7.113383
  C      -2.077582     -2.542120      7.862898
  C      -3.382384     -2.882310      7.536313
  C      -3.673902     -3.725486      6.446408
  C      -5.032972     -4.176856      6.174772
  O      -5.407250     -4.541879      4.992765
  C      -6.032552     -4.364113      7.214796
  F      -7.264157     -4.603728      6.669161
  S      -5.877666     -4.417738      8.847304
  H      -0.545078     -3.513314      0.822665
  H       1.272559     -1.974284      1.349619
  H       0.958001     -0.207932      3.107108
  H      -1.225691      0.001683      4.239623
  H      -7.447770     -7.486709      4.121183
  H      -9.766472     -7.141332      4.807732
  H     -10.914881     -4.961896      4.360035
  H      -9.712604     -3.184800      3.144235
  H      -0.440395     -4.224497      5.404390
  H       0.011782     -2.818785      7.363412
  H      -1.882511     -1.863757      8.693628
  H      -4.208386     -2.482596      8.119758
  N      -4.350779     -4.159317      0.094607
  N      -4.607933     -4.841619     -1.134148
  H      -4.503413     -4.331365     -2.002723
  H      -4.514188     -5.846252     -1.150988
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.947773984250
  N      -3.005074     -3.542604      1.896757
  C      -2.941816     -4.276829      0.639437
  C      -2.531065     -5.700133      0.932232
  N      -3.331498     -6.202017      2.081836
  C      -4.374201     -7.162637      1.664272
  C      -5.481808     -7.133899      2.687720
  N      -5.898214     -5.745068      2.807369
  Mo     -4.386241     -4.290281      3.216913
  N      -2.850428     -4.869553      4.439235
  C      -1.785014     -5.706141      3.908886
  C      -2.447060     -6.805529      3.108733
  H      -1.194966     -6.155842      4.722435
  H      -1.087188     -5.121386      3.280417
  H      -3.066295     -7.409745      3.784689
  H      -1.709906     -7.467501      2.623717
  H      -6.317531     -7.753188      2.324936
  H      -5.152811     -7.571734      3.650460
  H      -4.782185     -6.833041      0.702218
  H      -3.941971     -8.170813      1.544102
  H      -2.245046     -3.817227     -0.083315
  H      -4.219872     -3.181657     -0.261195
  H      -1.468388     -5.702263      1.205600
  H      -2.646532     -6.356981      0.056422
  C      -1.989040     -2.647251      2.199259
  C      -0.729420     -2.730045      1.552934
  C       0.311290     -1.866770      1.857058
  C       0.138180     -0.878775      2.835602
  C      -1.083339     -0.763002      3.476509
  C      -2.171996     -1.614444      3.182692
  C      -3.427151     -1.484837      3.891591
  O      -4.229824     -2.514982      3.992538
  C      -3.919886     -0.291492      4.530902
  F      -5.063847     -0.556583      5.242004
  S      -3.401593      1.267878      4.475943
  C      -7.204549     -5.540999      3.197642
  C      -7.937677     -6.544998      3.876247
  C      -9.248718     -6.342859      4.279671
  C      -9.898410     -5.128748      4.019176
  C      -9.222299     -4.136020      3.328363
  C      -7.890233     -4.312897      2.899524
  C      -7.168344     -3.270638      2.197152
  O      -5.904701     -3.215589      2.238216
  C      -7.801463     -2.224360      1.368112
  F      -9.112769     -2.480979      1.087521
  S      -7.078235     -0.907101      0.746309
  C      -2.597071     -4.183486      5.618492
  C      -1.275422     -3.880952      6.012896
  C      -1.020131     -3.071901      7.112548
  C      -2.077113     -2.544869      7.864302
  C      -3.382101     -2.884626      7.538214
  C      -3.674447     -3.725851      6.446980
  C      -5.033627     -4.177734      6.176705
  O      -5.410192     -4.541753      4.995311
  C      -6.031113     -4.366162      7.218811
  F      -7.264908     -4.599477      6.675554
  S      -5.871319     -4.428361      8.850517
  H      -0.550903     -3.515021      0.820086
  H       1.269054     -1.979640      1.346123
  H       0.959569     -0.214049      3.105417
  H      -1.222461     -0.002454      4.241110
  H      -7.446565     -7.479783      4.141309
  H      -9.765440     -7.132406      4.828504
  H     -10.918330     -4.959099      4.364278
  H      -9.719726     -3.188063      3.135070
  H      -0.441783     -4.221291      5.400292
  H       0.011867     -2.819198      7.362061
  H      -1.881356     -1.868620      8.696597
  H      -4.207614     -2.486064      8.123162
  N      -4.337233     -4.147872      0.080239
  N      -4.567173     -4.846163     -1.147573
  H      -4.444957     -4.341099     -2.017265
  H      -4.444482     -5.847527     -1.151101
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.950316210444
  N      -3.010175     -3.542742      1.898469
  C      -2.954417     -4.270353      0.634347
  C      -2.541471     -5.695533      0.926833
  N      -3.337712     -6.199053      2.080129
  C      -4.380697     -7.161119      1.665877
  C      -5.483531     -7.133527      2.694466
  N      -5.902144     -5.745076      2.809686
  Mo     -4.389167     -4.290677      3.216931
  N      -2.852434     -4.867489      4.438195
  C      -1.786652     -5.700850      3.902954
  C      -2.448475     -6.801138      3.103890
  H      -1.191584     -6.149741      4.713250
  H      -1.093918     -5.112628      3.272163
  H      -3.064498     -7.406842      3.781529
  H      -1.711608     -7.461792      2.616708
  H      -6.319181     -7.756783      2.338376
  H      -5.148535     -7.566245      3.657452
  H      -4.794987     -6.828485      0.707308
  H      -3.948123     -8.168466      1.540673
  H      -2.236744     -3.813996     -0.071418
  H      -4.256824     -3.165430     -0.265492
  H      -1.477463     -5.693994      1.193638
  H      -2.660124     -6.357240      0.055699
  C      -1.992555     -2.648251      2.199865
  C      -0.733516     -2.731886      1.552330
  C       0.308642     -1.870223      1.855934
  C       0.138001     -0.882502      2.835104
  C      -1.082386     -0.766034      3.477770
  C      -2.172302     -1.616374      3.185074
  C      -3.426227     -1.486223      3.895700
  O      -4.232096     -2.513963      3.990820
  C      -3.914742     -0.295437      4.543659
  F      -5.058308     -0.562350      5.254536
  S      -3.392298      1.262790      4.499334
  C      -7.207128     -5.540527      3.203598
  C      -7.937801     -6.540642      3.889999
  C      -9.248791     -6.336807      4.292947
  C      -9.900306     -5.125591      4.023387
  C      -9.225949     -4.136661      3.325289
  C      -7.893665     -4.314944      2.898077
  C      -7.171335     -3.276701      2.190192
  O      -5.907441     -3.220651      2.233975
  C      -7.804232     -2.236004      1.355185
  F      -9.113118     -2.499907      1.069220
  S      -7.084726     -0.916333      0.733700
  C      -2.598140     -4.182703      5.617762
  C      -1.276100     -3.880492      6.011360
  C      -1.020019     -3.073407      7.112171
  C      -2.076468     -2.547913      7.865821
  C      -3.381671     -2.886889      7.540059
  C      -3.674961     -3.726336      6.447654
  C      -5.034424     -4.177894      6.178577
  O      -5.413078     -4.540989      4.997690
  C      -6.030263     -4.366480      7.222354
  F      -7.266292     -4.592517      6.681131
  S      -5.866233     -4.437462      8.853302
  H      -0.555795     -3.516429      0.818917
  H       1.265623     -1.984175      1.343773
  H       0.960407     -0.218652      3.103995
  H      -1.220090     -0.005489      4.242626
  H      -7.444908     -7.472795      4.161145
  H      -9.764183     -7.122543      4.848460
  H     -10.920488     -4.955137      4.367343
  H      -9.724689     -3.190824      3.124795
  H      -0.443150     -4.219474      5.397104
  H       0.012110     -2.820809      7.361265
  H      -1.879938     -1.873603      8.699510
  H      -4.206670     -2.489007      8.126206
  N      -4.332392     -4.140088      0.062257
  N      -4.535131     -4.851215     -1.164868
  H      -4.393224     -4.349238     -2.033937
  H      -4.381196     -5.848104     -1.156350
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.952592917009
  N      -3.014664     -3.543173      1.900137
  C      -2.964664     -4.264102      0.630699
  C      -2.552313     -5.691590      0.922551
  N      -3.343386     -6.196839      2.078881
  C      -4.386535     -7.160249      1.667683
  C      -5.484529     -7.133949      2.701523
  N      -5.904782     -5.745888      2.812559
  Mo     -4.391678     -4.292037      3.217203
  N      -2.854353     -4.867105      4.437811
  C      -1.788128     -5.697307      3.898030
  C      -2.449576     -6.798129      3.099253
  H      -1.188519     -6.145708      4.705186
  H      -1.100076     -5.105588      3.265467
  H      -3.062393     -7.405862      3.778030
  H      -1.712789     -7.457088      2.609733
  H      -6.320272     -7.760754      2.351932
  H      -5.143796     -7.561840      3.664652
  H      -4.807001     -6.824680      0.712553
  H      -3.953567     -8.166753      1.537673
  H      -2.228373     -3.809150     -0.057380
  H      -4.299198     -3.155748     -0.268010
  H      -1.487112     -5.687781      1.183914
  H      -2.673828     -6.357999      0.055935
  C      -1.996550     -2.648144      2.200139
  C      -0.737757     -2.732178      1.552014
  C       0.305170     -1.871275      1.854878
  C       0.136099     -0.883489      2.834144
  C      -1.083234     -0.767100      3.478465
  C      -2.173847     -1.617178      3.187048
  C      -3.426178     -1.487780      3.900277
  O      -4.234544     -2.513479      3.989568
  C      -3.911020     -0.300000      4.557321
  F      -5.053570     -0.569750      5.268528
  S      -3.385575      1.257366      4.523778
  C      -7.208605     -5.540201      3.209330
  C      -7.937374     -6.536021      3.903332
  C      -9.248336     -6.329923      4.305458
  C      -9.900866     -5.121290      4.026847
  C      -9.227647     -4.136523      3.321632
  C      -7.895210     -4.316855      2.896086
  C      -7.171896     -3.283015      2.182644
  O      -5.907635     -3.226508      2.229149
  C      -7.803662     -2.247772      1.341571
  F      -9.110494     -2.517247      1.050792
  S      -7.086160     -0.927548      0.718187
  C      -2.598866     -4.183401      5.617586
  C      -1.276367     -3.881878      6.010516
  C      -1.019211     -3.076243      7.112036
  C      -2.074940     -2.551219      7.867107
  C      -3.380442     -2.888975      7.541631
  C      -3.674934     -3.727104      6.448462
  C      -5.034919     -4.177256      6.180482
  O      -5.415413     -4.539752      5.000081
  C      -6.029750     -4.364564      7.225471
  F      -7.267897     -4.582780      6.685832
  S      -5.862452     -4.443651      8.855751
  H      -0.559551     -3.516718      0.818770
  H       1.261630     -1.986098      1.341957
  H       0.959044     -0.219913      3.102048
  H      -1.219989     -0.006674      4.243577
  H      -7.443120     -7.465749      4.180431
  H      -9.763039     -7.111617      4.867257
  H     -10.921289     -4.949517      4.369444
  H      -9.727263     -3.192671      3.113941
  H      -0.444062     -4.220187      5.395065
  H       0.013161     -2.824242      7.360712
  H      -1.877451     -1.878404      8.701781
  H      -4.204848     -2.491027      8.128570
  N      -4.332557     -4.137466      0.043502
  N      -4.510166     -4.854637     -1.184426
  H      -4.344765     -4.352044     -2.049794
  H      -4.324227     -5.846072     -1.167516
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.954689019793
  N      -3.018543     -3.543980      1.901551
  C      -2.972328     -4.258689      0.628089
  C      -2.562952     -5.688818      0.919280
  N      -3.348454     -6.195476      2.078112
  C      -4.391817     -7.159998      1.669340
  C      -5.485231     -7.135385      2.708324
  N      -5.906242     -5.747556      2.816458
  Mo     -4.393519     -4.294552      3.218139
  N      -2.855976     -4.868842      4.438334
  C      -1.789394     -5.696141      3.894416
  C      -2.450558     -6.796829      3.095009
  H      -1.185996     -6.144631      4.698632
  H      -1.105268     -5.101111      3.260746
  H      -3.060429     -7.407027      3.774227
  H      -1.713783     -7.453792      2.602874
  H      -6.321392     -7.764759      2.364393
  H      -5.139315     -7.559602      3.671210
  H      -4.817603     -6.821441      0.717376
  H      -3.958294     -8.165612      1.534777
  H      -2.221547     -3.802888     -0.043616
  H      -4.342858     -3.153621     -0.266574
  H      -1.496654     -5.684696      1.176352
  H      -2.687215     -6.358820      0.056110
  C      -2.001088     -2.647128      2.199930
  C      -0.742251     -2.730831      1.551657
  C       0.300614     -1.869569      1.853425
  C       0.132038     -0.881367      2.832244
  C      -1.086348     -0.766095      3.478187
  C      -2.176927     -1.617008      3.188369
  C      -3.427359     -1.489707      3.904987
  O      -4.237259     -2.514093      3.989005
  C      -3.909527     -0.305299      4.570934
  F      -5.050644     -0.578943      5.282778
  S      -3.383135      1.251810      4.547232
  C      -7.209197     -5.539907      3.215036
  C      -7.937002     -6.531163      3.915945
  C      -9.247994     -6.322193      4.316723
  C      -9.900563     -5.115626      4.029296
  C      -9.227602     -4.135317      3.317518
  C      -7.894976     -4.318379      2.893955
  C      -7.170213     -3.289401      2.174857
  O      -5.905576     -3.232831      2.223766
  C      -7.800416     -2.259587      1.327382
  F      -9.106468     -2.531647      1.035228
  S      -7.083771     -0.940160      0.700449
  C      -2.598961     -4.185808      5.618110
  C      -1.275935     -3.885312      6.010387
  C      -1.017395     -3.080317      7.111991
  C      -2.072177     -2.554520      7.867944
  C      -3.378092     -2.890742      7.542865
  C      -3.674054     -3.728242      6.449540
  C      -5.034815     -4.176065      6.182651
  O      -5.416868     -4.538480      5.002779
  C      -6.029320     -4.360504      7.228433
  F      -7.269371     -4.570793      6.689925
  S      -5.859832     -4.445761      8.858208
  H      -0.562244     -3.515805      0.819312
  H       1.256797     -1.984814      1.340099
  H       0.954881     -0.217201      3.098992
  H      -1.222713     -0.005847      4.243503
  H      -7.442022     -7.458848      4.198696
  H      -9.762862     -7.099742      4.884072
  H     -10.921248     -4.941971      4.370178
  H      -9.727534     -3.193191      3.102730
  H      -0.444212     -4.223847      5.394306
  H       0.015353     -2.829347      7.360130
  H      -1.873535     -1.882510      8.703005
  H      -4.201835     -2.491905      8.130141
  N      -4.334131     -4.140767      0.026871
  N      -4.490770     -4.855431     -1.204196
  H      -4.297165     -4.347874     -2.061933
  H      -4.273018     -5.840735     -1.183726
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.956704191774
  N      -3.022108     -3.545038      1.902570
  C      -2.977470     -4.254208      0.626165
  C      -2.572106     -5.687083      0.916939
  N      -3.352828     -6.194534      2.077689
  C      -4.396739     -7.159773      1.670429
  C      -5.486090     -7.137404      2.714143
  N      -5.906941     -5.749603      2.821384
  Mo     -4.394836     -4.297903      3.219994
  N      -2.857373     -4.872462      4.439795
  C      -1.790588     -5.697169      3.892187
  C      -2.451647     -6.796896      3.091270
  H      -1.184342     -6.146474      4.693761
  H      -1.109385     -5.099159      3.258160
  H      -3.059136     -7.409830      3.770125
  H      -1.714874     -7.451682      2.596327
  H      -6.323049     -7.768094      2.374631
  H      -5.135667     -7.559623      3.676235
  H      -4.826500     -6.818000      0.721245
  H      -3.962525     -8.164461      1.531519
  H      -2.217688     -3.795332     -0.032809
  H      -4.385476     -3.158625     -0.259873
  H      -1.504811     -5.684690      1.170730
  H      -2.699059     -6.359063      0.055813
  C      -2.006217     -2.645494      2.199428
  C      -0.747199     -2.728098      1.551128
  C       0.294916     -1.865498      1.851441
  C       0.125965     -0.876629      2.829457
  C      -1.091554     -0.763437      3.477072
  C      -2.181426     -1.616179      3.189206
  C      -3.429714     -1.491880      3.909661
  O      -4.240277     -2.515689      3.989381
  C      -3.910049     -0.310915      4.583866
  F      -5.048938     -0.589169      5.297443
  S      -3.383867      1.246271      4.569276
  C      -7.209264     -5.539308      3.220856
  C      -7.936905     -6.526154      3.927584
  C      -9.247814     -6.313913      4.327064
  C      -9.899497     -5.108666      4.032026
  C      -9.226170     -4.132749      3.314458
  C      -7.893484     -4.319044      2.892448
  C      -7.166953     -3.295253      2.167402
  O      -5.901960     -3.239074      2.218150
  C      -7.794975     -2.271040      1.312553
  F      -9.099855     -2.545515      1.017578
  S      -7.076230     -0.956763      0.676389
  C      -2.598573     -4.189608      5.619353
  C      -1.274970     -3.890432      6.010884
  C      -1.014771     -3.085310      7.112019
  C      -2.068383     -2.557717      7.868411
  C      -3.374846     -2.892243      7.543932
  C      -3.672500     -3.729743      6.451031
  C      -5.034265     -4.174716      6.185248
  O      -5.417588     -4.537518      5.005937
  C      -6.028979     -4.355170      7.231480
  F      -7.270523     -4.558531      6.693658
  S      -5.858148     -4.444776      8.860907
  H      -0.564579     -3.513765      0.820121
  H       1.250953     -1.980638      1.337821
  H       0.948111     -0.211044      3.094843
  H      -1.228011     -0.003390      4.242549
  H      -7.441757     -7.452333      4.215145
  H      -9.763451     -7.087501      4.899100
  H     -10.920272     -4.932641      4.371464
  H      -9.725856     -3.191918      3.093614
  H      -0.443784     -4.230028      5.394666
  H       0.018475     -2.835676      7.359442
  H      -1.868417     -1.885846      8.703283
  H      -4.197862     -2.491862      8.131193
  N      -4.335735     -4.149186      0.014042
  N      -4.476945     -4.853318     -1.222731
  H      -4.250544     -4.336843     -2.068624
  H      -4.228182     -5.832034     -1.203607
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.958703218111
  N      -3.025342     -3.546686      1.902872
  C      -2.980001     -4.251380      0.624573
  C      -2.578175     -5.686586      0.915544
  N      -3.355751     -6.193837      2.077666
  C      -4.400545     -7.159300      1.670799
  C      -5.486581     -7.139818      2.718511
  N      -5.906664     -5.751931      2.827047
  Mo     -4.395419     -4.301881      3.222690
  N      -2.858325     -4.877319      4.442173
  C      -1.791372     -5.699757      3.891554
  C      -2.452293     -6.797902      3.088466
  H      -1.183311     -6.150413      4.690986
  H      -1.111998     -5.099201      3.257902
  H      -3.058135     -7.413624      3.766223
  H      -1.715438     -7.450474      2.590830
  H      -6.324582     -7.770633      2.381908
  H      -5.132433     -7.561839      3.679271
  H      -4.832620     -6.813865      0.723934
  H      -3.965536     -8.163035      1.527739
  H      -2.217350     -3.787718     -0.027141
  H      -4.425372     -3.170617     -0.247525
  H      -1.510008     -5.687585      1.166737
  H      -2.707852     -6.359039      0.055224
  C      -2.011646     -2.643904      2.198474
  C      -0.752434     -2.724964      1.550058
  C       0.288588     -1.860508      1.848644
  C       0.118845     -0.870834      2.825707
  C      -1.097863     -0.760203      3.475014
  C      -2.186705     -1.615266      3.189338
  C      -3.432732     -1.494246      3.913723
  O      -4.243271     -2.518071      3.990396
  C      -3.912098     -0.316502      4.595012
  F      -5.049278     -0.599356      5.309589
  S      -3.388111      1.241369      4.587118
  C      -7.208682     -5.538632      3.226280
  C      -7.937253     -6.521406      3.937236
  C      -9.248277     -6.305698      4.334652
  C      -9.898333     -5.101196      4.032643
  C      -9.223672     -4.129458      3.310584
  C      -7.890703     -4.319189      2.891097
  C      -7.162351     -3.300758      2.160225
  O      -5.897107     -3.245067      2.212303
  C      -7.788799     -2.282211      1.298063
  F      -9.096087     -2.553061      1.010903
  S      -7.069708     -0.970738      0.655704
  C      -2.597771     -4.194025      5.621290
  C      -1.273615     -3.896269      6.011988
  C      -1.011688     -3.090350      7.112221
  C      -2.064031     -2.560334      7.868657
  C      -3.371124     -2.893232      7.544925
  C      -3.670473     -3.731241      6.452912
  C      -5.033322     -4.173333      6.188166
  O      -5.417514     -4.537014      5.009430
  C      -6.028598     -4.349130      7.234574
  F      -7.271368     -4.546191      6.697158
  S      -5.857173     -4.440276      8.863880
  H      -0.567098     -3.511488      0.820603
  H       1.244514     -1.975249      1.334719
  H       0.939962     -0.203388      3.089626
  H      -1.234597     -0.000391      4.240660
  H      -7.442617     -7.446615      4.228990
  H      -9.765504     -7.075670      4.910107
  H     -10.919379     -4.922622      4.369976
  H      -9.722624     -3.189576      3.083821
  H      -0.442887     -4.237556      5.396075
  H       0.022108     -2.842149      7.358817
  H      -1.862723     -1.888049      8.702877
  H      -4.193433     -2.490960      8.131907
  N      -4.336639     -4.162305      0.005835
  N      -4.468502     -4.849839     -1.238739
  H      -4.205331     -4.321765     -2.068773
  H      -4.189903     -5.821731     -1.224969
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.960696023981
  N      -3.029227     -3.548292      1.902815
  C      -2.981405     -4.249401      0.623306
  C      -2.581534     -5.686275      0.914508
  N      -3.357884     -6.192371      2.077697
  C      -4.404056     -7.157192      1.669897
  C      -5.487542     -7.141294      2.720781
  N      -5.906317     -5.753270      2.833075
  Mo     -4.395900     -4.305591      3.226536
  N      -2.859290     -4.882683      4.445292
  C      -1.792221     -5.703057      3.891996
  C      -2.453053     -6.798985      3.086119
  H      -1.183224     -6.155658      4.689645
  H      -1.113738     -5.100271      3.259407
  H      -3.057921     -7.417512      3.762146
  H      -1.716148     -7.449347      2.585795
  H      -6.326854     -7.770966      2.385441
  H      -5.130466     -7.565106      3.679601
  H      -4.836823     -6.807075      0.725112
  H      -3.968457     -8.160022      1.522491
  H      -2.221930     -3.779912     -0.027515
  H      -4.462577     -3.186724     -0.228410
  H      -1.512557     -5.692064      1.163040
  H      -2.714601     -6.357729      0.053873
  C      -2.017937     -2.642157      2.197539
  C      -0.758814     -2.721258      1.548338
  C       0.281107     -1.854849      1.844938
  C       0.110777     -0.864553      2.821346
  C      -1.104944     -0.756808      3.472763
  C      -2.192671     -1.614354      3.189575
  C      -3.436134     -1.496542      3.918114
  O      -4.246317     -2.520712      3.992891
  C      -3.914512     -0.321664      4.605652
  F      -5.048642     -0.609025      5.323496
  S      -3.391724      1.236529      4.604486
  C      -7.208104     -5.536964      3.231551
  C      -7.937671     -6.516672      3.945301
  C      -9.248400     -6.297798      4.341881
  C      -9.896392     -5.093114      4.035844
  C      -9.220654     -4.124679      3.310273
  C      -7.887892     -4.317720      2.891224
  C      -7.157669     -3.304399      2.154326
  O      -5.892235     -3.249660      2.207112
  C      -7.781229     -2.291900      1.283016
  F      -9.085794     -2.567012      0.988439
  S      -7.054407     -0.994956      0.619639
  C      -2.597039     -4.198672      5.623934
  C      -1.272324     -3.902359      6.013547
  C      -1.008557     -3.095408      7.112740
  C      -2.059508     -2.562861      7.869189
  C      -3.367324     -2.894258      7.546471
  C      -3.668459     -3.732949      6.455570
  C      -5.032453     -4.172370      6.191819
  O      -5.417313     -4.536899      5.013594
  C      -6.028371     -4.343780      7.238250
  F      -7.271810     -4.536901      6.700945
  S      -5.856565     -4.436135      8.867468
  H      -0.571524     -3.508481      0.820123
  H       1.236716     -1.968868      1.330247
  H       0.930778     -0.195089      3.083631
  H      -1.241802      0.002618      4.238794
  H      -7.443670     -7.441531      4.239507
  H      -9.767039     -7.064947      4.919823
  H     -10.917183     -4.911929      4.372603
  H      -9.718580     -3.185151      3.080355
  H      -0.442090     -4.245567      5.398025
  H       0.025823     -2.848620      7.358335
  H      -1.856794     -1.889917      8.702529
  H      -4.188860     -2.490053      8.133219
  N      -4.337576     -4.177428      0.003416
  N      -4.466197     -4.844167     -1.250657
  H      -4.163182     -4.303196     -2.061160
  H      -4.159224     -5.809106     -1.245232
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.962644950170
  N      -3.032989     -3.551194      1.902043
  C      -2.981147     -4.250245      0.622025
  C      -2.580458     -5.687564      0.913911
  N      -3.357857     -6.191155      2.078144
  C      -4.405616     -7.154751      1.668562
  C      -5.487391     -7.142674      2.721530
  N      -5.904851     -5.754631      2.839012
  Mo     -4.395403     -4.309557      3.230908
  N      -2.859553     -4.887822      4.448998
  C      -1.792146     -5.706401      3.893800
  C      -2.452561     -6.800247      3.085144
  H      -1.183022     -6.160849      4.690356
  H      -1.113806     -5.101855      3.262653
  H      -3.057043     -7.421197      3.759279
  H      -1.715496     -7.448668      2.582714
  H      -6.327967     -7.770436      2.385966
  H      -5.128301     -7.569582      3.678161
  H      -4.837781     -6.799367      0.725555
  H      -3.969711     -8.156823      1.517111
  H      -2.229608     -3.775269     -0.034017
  H      -4.495272     -3.206755     -0.203528
  H      -1.510793     -5.698519      1.159486
  H      -2.717560     -6.357580      0.052700
  C      -2.024110     -2.641679      2.195978
  C      -0.765455     -2.718814      1.545212
  C       0.273539     -1.850585      1.839374
  C       0.103149     -0.859687      2.815277
  C      -1.111350     -0.754573      3.469160
  C      -2.198168     -1.614430      3.188859
  C      -3.438996     -1.499247      3.921479
  O      -4.248611     -2.523906      3.995585
  C      -3.916705     -0.326723      4.613946
  F      -5.049365     -0.617549      5.332976
  S      -3.396859      1.232331      4.615994
  C      -7.206792     -5.535630      3.235293
  C      -7.938604     -6.512789      3.949945
  C      -9.249697     -6.291022      4.343697
  C      -9.895483     -5.086153      4.033051
  C      -9.217479     -4.120638      3.305721
  C      -7.884124     -4.316493      2.890182
  C      -7.152316     -3.308190      2.148098
  O      -5.886962     -3.253794      2.201575
  C      -7.775100     -2.301694      1.269059
  F      -9.086766     -2.564628      0.996383
  S      -7.049384     -1.005816      0.601993
  C      -2.596190     -4.202415      5.626951
  C      -1.271075     -3.906971      6.015346
  C      -1.005868     -3.098538      7.113274
  C      -2.055668     -2.563831      7.869516
  C      -3.364096     -2.894418      7.547951
  C      -3.666616     -3.734112      6.458379
  C      -5.031573     -4.171681      6.195494
  O      -5.416768     -4.537339      5.017793
  C      -6.027981     -4.339016      7.241971
  F      -7.272084     -4.528452      6.704949
  S      -5.855993     -4.429620      8.871291
  H      -0.577541     -3.506752      0.818035
  H       1.228561     -1.963863      1.323438
  H       0.922157     -0.188288      3.075640
  H      -1.247976      0.004511      4.235577
  H      -7.445895     -7.437603      4.246632
  H      -9.770660     -7.055866      4.922560
  H     -10.916752     -4.902835      4.367182
  H      -9.714212     -3.181482      3.071161
  H      -0.441239     -4.252073      5.400382
  H       0.028958     -2.852636      7.357844
  H      -1.851870     -1.889901      8.701753
  H      -4.185003     -2.488600      8.134452
  N      -4.336742     -4.194786      0.006356
  N      -4.466444     -4.839679     -1.258092
  H      -4.121216     -4.286614     -2.046154
  H      -4.132352     -5.797375     -1.261551
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.964481134228
  N      -3.038042     -3.553129      1.901880
  C      -2.982260     -4.251149      0.621330
  C      -2.578054     -5.687907      0.913702
  N      -3.358295     -6.188833      2.078071
  C      -4.407879     -7.150187      1.665729
  C      -5.488273     -7.141996      2.720064
  N      -5.904247     -5.754088      2.844490
  Mo     -4.395370     -4.312332      3.235853
  N      -2.860058     -4.891812      4.452302
  C      -1.792647     -5.709069      3.895140
  C      -2.453241     -6.800864      3.083981
  H      -1.183749     -6.165517      4.690772
  H      -1.114150     -5.103174      3.265459
  H      -3.057715     -7.423727      3.756395
  H      -1.716333     -7.447881      2.579725
  H      -6.330222     -7.767078      2.383082
  H      -5.127893     -7.573326      3.674179
  H      -4.839440     -6.788594      0.724860
  H      -3.972533     -8.151778      1.509748
  H      -2.239432     -3.772520     -0.042542
  H      -4.526923     -3.223889     -0.173761
  H      -1.507999     -5.703181      1.156654
  H      -2.719259     -6.356975      0.052388
  C      -2.030666     -2.641162      2.195189
  C      -0.773104     -2.716299      1.541624
  C       0.265439     -1.846884      1.833186
  C       0.096040     -0.855871      2.809256
  C      -1.116783     -0.753008      3.466313
  C      -2.203136     -1.614658      3.189154
  C      -3.441329     -1.501543      3.925885
  O      -4.250567     -2.526535      3.999614
  C      -3.917836     -0.331222      4.623173
  F      -5.048266     -0.625183      5.344623
  S      -3.399301      1.228135      4.629180
  C      -7.206126     -5.533102      3.238774
  C      -7.939479     -6.508920      3.953479
  C      -9.250198     -6.284759      4.346732
  C      -9.893797     -5.078876      4.035127
  C      -9.214628     -4.115225      3.306452
  C      -7.881567     -4.313564      2.890974
  C      -7.148538     -3.309779      2.143410
  O      -5.883242     -3.255855      2.196998
  C      -7.769505     -2.310395      1.254628
  F      -9.079475     -2.577004      0.978222
  S      -7.035457     -1.033381      0.560769
  C      -2.595639     -4.205277      5.629665
  C      -1.270088     -3.910398      6.016510
  C      -1.003442     -3.101076      7.113544
  C      -2.052146     -2.565249      7.870201
  C      -3.361139     -2.895388      7.550108
  C      -3.665155     -3.735592      6.461495
  C      -5.031029     -4.171902      6.199753
  O      -5.417163     -4.537920      5.022567
  C      -6.027060     -4.336689      7.246862
  F      -7.271769     -4.524406      6.710746
  S      -5.853830     -4.426912      8.876082
  H      -0.586363     -3.504454      0.814594
  H       1.219428     -1.959298      1.315177
  H       0.914460     -0.182966      3.067435
  H      -1.252565      0.005595      4.233340
  H      -7.447794     -7.434149      4.250686
  H      -9.772577     -7.048156      4.926185
  H     -10.914674     -4.893519      4.369267
  H      -9.710076     -3.175783      3.070763
  H      -0.440874     -4.256831      5.401541
  H       0.031758     -2.855694      7.356963
  H      -1.847273     -1.890766      8.701682
  H      -4.181264     -2.488664      8.137032
  N      -4.336783     -4.208706      0.013277
  N      -4.468429     -4.833152     -1.262171
  H      -4.079024     -4.270636     -2.025485
  H      -4.108067     -5.783002     -1.272604
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.966132743641
  N      -3.042774     -3.554866      1.901570
  C      -2.983904     -4.253398      0.620867
  C      -2.574531     -5.688612      0.914827
  N      -3.358327     -6.187360      2.078008
  C      -4.409251     -7.146209      1.662533
  C      -5.488776     -7.141182      2.717572
  N      -5.903351     -5.753460      2.848790
  Mo     -4.395108     -4.314763      3.239627
  N      -2.860464     -4.894333      4.454570
  C      -1.793261     -5.711254      3.896450
  C      -2.454375     -6.801817      3.083838
  H      -1.185011     -6.169076      4.691816
  H      -1.114308     -5.104846      3.267854
  H      -3.059253     -7.425520      3.755137
  H      -1.717644     -7.448398      2.578936
  H      -6.331897     -7.763635      2.378710
  H      -5.127980     -7.576844      3.669539
  H      -4.840503     -6.778714      0.723778
  H      -3.975076     -8.147623      1.502389
  H      -2.247696     -3.773397     -0.050091
  H      -4.558387     -3.239394     -0.143228
  H      -1.504535     -5.705737      1.156859
  H      -2.718241     -6.358520      0.054569
  C      -2.036001     -2.641296      2.194067
  C      -0.779605     -2.714567      1.537594
  C       0.258586     -1.844238      1.826810
  C       0.090260     -0.853100      2.803002
  C      -1.120958     -0.751933      3.462937
  C      -2.206866     -1.615259      3.188789
  C      -3.442945     -1.503562      3.928832
  O      -4.251925     -2.528730      4.002210
  C      -3.917811     -0.335047      4.630461
  F      -5.045390     -0.631445      5.355421
  S      -3.397970      1.223734      4.641687
  C      -7.205237     -5.531112      3.240775
  C      -7.940227     -6.505992      3.955010
  C      -9.250611     -6.279675      4.347709
  C      -9.892205     -5.072797      4.035498
  C      -9.211911     -4.110733      3.305890
  C      -7.878994     -4.311128      2.890843
  C      -7.145335     -3.311672      2.137791
  O      -5.880069     -3.257399      2.191359
  C      -7.766185     -2.319810      1.240281
  F      -9.080357     -2.579440      0.978100
  S      -7.030168     -1.052461      0.530864
  C      -2.595392     -4.206653      5.631332
  C      -1.269529     -3.911870      6.016874
  C      -1.001890     -3.101858      7.113180
  C      -2.049921     -2.565566      7.870228
  C      -3.359234     -2.895706      7.551396
  C      -3.664369     -3.736428      6.463545
  C      -5.030903     -4.172146      6.202961
  O      -5.418274     -4.538286      5.026327
  C      -6.026081     -4.335662      7.251000
  F      -7.271279     -4.523083      6.715975
  S      -5.851318     -4.426640      8.880015
  H      -0.594546     -3.502706      0.810342
  H       1.211551     -1.955771      1.306756
  H       0.908237     -0.178861      3.058976
  H      -1.256086      0.006515      4.230235
  H      -7.449619     -7.431740      4.252468
  H      -9.774355     -7.041937      4.927380
  H     -10.912776     -4.885713      4.369548
  H      -9.706169     -3.171045      3.068941
  H      -0.440892     -4.259240      5.401728
  H       0.033512     -2.856529      7.355688
  H      -1.844350     -1.890642      8.701154
  H      -4.178697     -2.488477      8.138838
  N      -4.337866     -4.221146      0.020309
  N      -4.469370     -4.827964     -1.265917
  H      -4.034602     -4.259845     -2.003137
  H      -4.083315     -5.769469     -1.279512
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.967565390030
  N      -3.047088     -3.555087      1.901683
  C      -2.987068     -4.254897      0.620798
  C      -2.571598     -5.688067      0.916439
  N      -3.358407     -6.186411      2.077811
  C      -4.410366     -7.142588      1.659216
  C      -5.489486     -7.140026      2.714610
  N      -5.902414     -5.752354      2.852325
  Mo     -4.394644     -4.316538      3.242516
  N      -2.860562     -4.895792      4.455634
  C      -1.793812     -5.713216      3.897184
  C      -2.455906     -6.803009      3.083936
  H      -1.186414     -6.172024      4.692642
  H      -1.114222     -5.106913      3.269310
  H      -3.061346     -7.426713      3.754701
  H      -1.719472     -7.449915      2.579056
  H      -6.333710     -7.759837      2.373677
  H      -5.129040     -7.579804      3.664791
  H      -4.841658     -6.769744      0.722552
  H      -3.977885     -8.144077      1.495166
  H      -2.255372     -3.774748     -0.055667
  H      -4.591338     -3.251544     -0.110623
  H      -1.501926     -5.704083      1.158916
  H      -2.715781     -6.359840      0.057576
  C      -2.040097     -2.641001      2.193049
  C      -0.785141     -2.712793      1.533374
  C       0.253249     -1.842450      1.820867
  C       0.086692     -0.851930      2.797994
  C      -1.122919     -0.751741      3.460762
  C      -2.209096     -1.615629      3.188889
  C      -3.443651     -1.505187      3.931846
  O      -4.252567     -2.530488      4.004224
  C      -3.917735     -0.338796      4.637679
  F      -5.048004     -0.636553      5.357815
  S      -3.401601      1.221156      4.649466
  C      -7.204292     -5.528993      3.242358
  C      -7.940723     -6.503449      3.955762
  C      -9.250456     -6.275139      4.348941
  C      -9.890047     -5.066881      4.037635
  C      -9.209023     -4.105995      3.307345
  C      -7.876564     -4.308257      2.891496
  C      -7.142952     -3.312723      2.132906
  O      -5.877637     -3.257567      2.185723
  C      -7.764622     -2.329091      1.226899
  F      -9.081198     -2.585563      0.974501
  S      -7.025354     -1.076984      0.493947
  C      -2.594948     -4.207691      5.632193
  C      -1.268840     -3.912956      6.016752
  C      -1.000403     -3.103127      7.112970
  C      -2.048000     -2.567262      7.870876
  C      -3.357477     -2.897414      7.552959
  C      -3.663524     -3.737803      6.465071
  C      -5.030538     -4.173027      6.205665
  O      -5.419793     -4.538501      5.029584
  C      -6.024229     -4.336229      7.255238
  F      -7.270877     -4.519697      6.722212
  S      -5.847478     -4.425787      8.884083
  H      -0.602307     -3.500369      0.805076
  H       1.205112     -1.953234      1.298644
  H       0.904850     -0.177292      3.052288
  H      -1.256834      0.006190      4.228698
  H      -7.451181     -7.429996      4.252518
  H      -9.775259     -7.036686      4.928575
  H     -10.909995     -4.878121      4.372620
  H      -9.702121     -3.165749      3.070336
  H      -0.440815     -4.260619      5.400976
  H       0.035114     -2.857752      7.354858
  H      -1.841910     -1.892577      8.701863
  H      -4.176362     -2.490358      8.141319
  N      -4.341346     -4.230651      0.027700
  N      -4.470625     -4.820811     -1.269611
  H      -3.990843     -4.250282     -1.979830
  H      -4.060224     -5.754006     -1.283877
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.968744420098
  N      -3.050683     -3.554602      1.901403
  C      -2.991523     -4.256795      0.620697
  C      -2.569501     -5.687636      0.918876
  N      -3.358426     -6.186878      2.078437
  C      -4.411103     -7.140722      1.657245
  C      -5.490600     -7.139499      2.712410
  N      -5.901622     -5.751584      2.855192
  Mo     -4.394243     -4.318093      3.243905
  N      -2.861069     -4.896091      4.455832
  C      -1.794625     -5.714922      3.898410
  C      -2.457616     -6.804660      3.085405
  H      -1.188451     -6.173933      4.694668
  H      -1.114066     -5.109466      3.270907
  H      -3.063891     -7.427464      3.756194
  H      -1.721406     -7.452587      2.581441
  H      -6.335752     -7.756898      2.369449
  H      -5.131363     -7.582509      3.661514
  H      -4.842266     -6.763955      0.722095
  H      -3.980438     -8.142521      1.490421
  H      -2.262872     -3.777161     -0.060018
  H      -4.625475     -3.263254     -0.076275
  H      -1.500378     -5.699558      1.163254
  H      -2.711606     -6.362222      0.061672
  C      -2.043312     -2.640362      2.190887
  C      -0.789937     -2.710017      1.527923
  C       0.248109     -1.838869      1.813794
  C       0.082533     -0.848783      2.791587
  C      -1.125630     -0.750126      3.457069
  C      -2.211046     -1.615744      3.187712
  C      -3.444195     -1.506572      3.932928
  O      -4.253228     -2.531971      4.004210
  C      -3.915259     -0.341883      4.643498
  F      -5.035074     -0.643473      5.378263
  S      -3.386770      1.213725      4.671726
  C      -7.203611     -5.526902      3.243218
  C      -7.941682     -6.500561      3.956189
  C      -9.250574     -6.269799      4.350179
  C      -9.887887     -5.059991      4.039751
  C      -9.206094     -4.100739      3.308273
  C      -7.874260     -4.305350      2.891186
  C      -7.140978     -3.314254      2.126204
  O      -5.875662     -3.257569      2.178208
  C      -7.763342     -2.340948      1.209707
  F      -9.084073     -2.589815      0.972587
  S      -7.020727     -1.105657      0.451531
  C      -2.595438     -4.207542      5.632317
  C      -1.269281     -3.912507      6.016361
  C      -1.000538     -3.102476      7.112299
  C      -2.048091     -2.566633      7.870340
  C      -3.357545     -2.897034      7.552915
  C      -3.664015     -3.737973      6.465426
  C      -5.031327     -4.173172      6.206968
  O      -5.422378     -4.537989      5.031483
  C      -6.023801     -4.337499      7.257825
  F      -7.269664     -4.527690      6.725368
  S      -5.844636     -4.436078      8.885783
  H      -0.608575     -3.496582      0.798202
  H       1.198920     -1.948097      1.289336
  H       0.900376     -0.172999      3.043853
  H      -1.259310      0.007927      4.225026
  H      -7.453467     -7.427996      4.252395
  H      -9.776495     -7.030367      4.930082
  H     -10.907003     -4.869116      4.376073
  H      -9.697818     -3.159821      3.071238
  H      -0.441663     -4.260445      5.400178
  H       0.034964     -2.856771      7.353869
  H      -1.841879     -1.891673      8.701093
  H      -4.176084     -2.489654      8.141479
  N      -4.346764     -4.239717      0.035087
  N      -4.471892     -4.813065     -1.273517
  H      -3.949198     -4.242882     -1.956654
  H      -4.039835     -5.738566     -1.287109
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.969668940985
  N      -3.053160     -3.551967      1.902250
  C      -2.997430     -4.256043      0.621335
  C      -2.568307     -5.684771      0.921122
  N      -3.357806     -6.187251      2.078835
  C      -4.411220     -7.138713      1.655120
  C      -5.491250     -7.139052      2.710063
  N      -5.900195     -5.750845      2.858259
  Mo     -4.392873     -4.319453      3.245420
  N      -2.860151     -4.896917      4.455277
  C      -1.794101     -5.717206      3.898621
  C      -2.458166     -6.806490      3.085640
  H      -1.189070     -6.176620      4.695478
  H      -1.112567     -5.112498      3.271567
  H      -3.065157     -7.428539      3.756437
  H      -1.722397     -7.455286      2.582019
  H      -6.337316     -7.753923      2.364882
  H      -5.133385     -7.585493      3.658052
  H      -4.842314     -6.758481      0.721390
  H      -3.982315     -8.140791      1.485433
  H      -2.271587     -3.776333     -0.062910
  H      -4.660854     -3.271783     -0.037095
  H      -1.499818     -5.690337      1.168145
  H      -2.706279     -6.361710      0.064865
  C      -2.044974     -2.638690      2.189763
  C      -0.793953     -2.706752      1.522401
  C       0.245113     -1.836777      1.807654
  C       0.082616     -0.849466      2.788738
  C      -1.123758     -0.751500      3.457631
  C      -2.210583     -1.615766      3.189083
  C      -3.442943     -1.508421      3.936852
  O      -4.252570     -2.533939      4.005246
  C      -3.914757     -0.346933      4.652153
  F      -5.053190     -0.645957      5.358834
  S      -3.403231      1.214566      4.668335
  C      -7.202241     -5.524847      3.244917
  C      -7.941917     -6.498105      3.956946
  C      -9.249797     -6.265019      4.352382
  C      -9.884776     -5.053318      4.043921
  C      -9.202365     -4.095371      3.311548
  C      -7.871305     -4.302232      2.892631
  C      -7.138861     -3.315505      2.120926
  O      -5.873560     -3.256570      2.171903
  C      -7.761688     -2.354794      1.191746
  F      -9.086399     -2.595481      0.969971
  S      -7.012971     -1.144813      0.398738
  C      -2.594317     -4.209549      5.632613
  C      -1.268085     -3.914830      6.016529
  C      -0.998918     -3.106650      7.113685
  C      -2.046321     -2.572577      7.873320
  C      -3.355765     -2.902676      7.555878
  C      -3.662658     -3.741406      6.466708
  C      -5.030259     -4.175779      6.208995
  O      -5.424055     -4.538323      5.034000
  C      -6.020720     -4.340760      7.262164
  F      -7.270642     -4.513540      6.733289
  S      -5.839571     -4.429783      8.890321
  H      -0.615232     -3.491093      0.789564
  H       1.194432     -1.944713      1.280204
  H       0.901617     -0.174835      3.040443
  H      -1.254974      0.004895      4.227479
  H      -7.455107     -7.426731      4.251818
  H      -9.776731     -7.024955      4.932213
  H     -10.902888     -4.860375      4.382159
  H      -9.692700     -3.153573      3.075262
  H      -0.440944     -4.261852      5.399142
  H       0.036608     -2.861052      7.355279
  H      -1.839870     -1.899169      8.705289
  H      -4.174044     -2.496573      8.145770
  N      -4.354272     -4.245243      0.044189
  N      -4.474495     -4.799113     -1.276754
  H      -3.913356     -4.230315     -1.933405
  H      -4.025014     -5.718326     -1.291201
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.970450545437
  N      -3.054982     -3.549195      1.901809
  C      -3.004024     -4.256589      0.621578
  C      -2.567540     -5.682918      0.925107
  N      -3.357281     -6.188557      2.081147
  C      -4.411229     -7.138276      1.655458
  C      -5.492624     -7.139102      2.709367
  N      -5.899350     -5.750406      2.861302
  Mo     -4.391975     -4.320387      3.245454
  N      -2.860439     -4.896188      4.454829
  C      -1.794406     -5.718866      3.900808
  C      -2.459025     -6.808243      3.088364
  H      -1.191217     -6.177844      4.699249
  H      -1.111252     -5.115739      3.274094
  H      -3.067215     -7.428870      3.759396
  H      -1.723567     -7.458370      2.585874
  H      -6.339411     -7.751693      2.361988
  H      -5.136792     -7.588025      3.656929
  H      -4.841307     -6.756330      0.722057
  H      -3.983642     -8.140761      1.484703
  H      -2.281021     -3.777160     -0.066427
  H      -4.696448     -3.283928      0.003661
  H      -1.500062     -5.679840      1.176528
  H      -2.698429     -6.362974      0.069974
  C      -2.046513     -2.636385      2.186240
  C      -0.798320     -2.701383      1.513643
  C       0.240726     -1.830845      1.797438
  C       0.080336     -0.845806      2.781219
  C      -1.124002     -0.750024      3.454222
  C      -2.210546     -1.615280      3.187899
  C      -3.441733     -1.509859      3.937889
  O      -4.252374     -2.535254      4.003526
  C      -3.910413     -0.351339      4.659811
  F      -5.036073     -0.656535      5.384398
  S      -3.382986      1.204527      4.701157
  C      -7.201552     -5.522269      3.246047
  C      -7.943338     -6.494108      3.957945
  C      -9.250214     -6.257815      4.354327
  C      -9.882385     -5.044329      4.046314
  C      -9.198880     -4.088775      3.312043
  C      -7.868590     -4.298857      2.891986
  C      -7.137012     -3.318019      2.111872
  O      -5.871705     -3.256167      2.162668
  C      -7.760098     -2.372849      1.167377
  F      -9.090984     -2.598220      0.969466
  S      -7.004020     -1.195683      0.331851
  C      -2.595244     -4.209209      5.632783
  C      -1.269167     -3.914490      6.017123
  C      -1.000192     -3.106705      7.114576
  C      -2.047811     -2.572660      7.874025
  C      -3.357125     -2.902534      7.556041
  C      -3.663840     -3.741369      6.466747
  C      -5.031621     -4.175451      6.209339
  O      -5.427378     -4.536456      5.034921
  C      -6.020994     -4.342527      7.263956
  F      -7.269338     -4.526002      6.735227
  S      -5.836222     -4.447708      8.890514
  H      -0.621372     -3.482958      0.777326
  H       1.188263     -1.936038      1.266231
  H       0.899461     -0.170623      3.031141
  H      -1.253923      0.005733      4.224968
  H      -7.458369     -7.423823      4.252553
  H      -9.778591     -7.016321      4.934737
  H     -10.899494     -4.848587      4.386026
  H      -9.687455     -3.146202      3.075121
  H      -0.442084     -4.261305      5.399497
  H       0.035257     -2.861058      7.356502
  H      -1.841550     -1.899389      8.706183
  H      -4.175464     -2.496039      8.145558
  N      -4.362311     -4.253047      0.053107
  N      -4.476404     -4.785436     -1.280112
  H      -3.882232     -4.218822     -1.912195
  H      -4.014993     -5.700526     -1.297007
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.971136267399
  N      -3.055395     -3.545636      1.901043
  C      -3.010629     -4.256633      0.621908
  C      -2.565863     -5.680280      0.930062
  N      -3.355796     -6.190026      2.083902
  C      -4.410033     -7.138385      1.655805
  C      -5.493485     -7.139847      2.707929
  N      -5.898143     -5.750766      2.863752
  Mo     -4.390535     -4.321600      3.244702
  N      -2.860438     -4.896139      4.454282
  C      -1.794176     -5.721544      3.903743
  C      -2.458910     -6.810539      3.091118
  H      -1.193584     -6.180197      4.704241
  H      -1.108641     -5.120247      3.277946
  H      -3.068628     -7.430053      3.761857
  H      -1.723740     -7.461695      2.589439
  H      -6.340788     -7.750087      2.357742
  H      -5.140089     -7.591458      3.655126
  H      -4.838039     -6.755730      0.721923
  H      -3.983002     -8.141144      1.484958
  H      -2.291729     -3.777067     -0.070751
  H      -4.731214     -3.298392      0.047806
  H      -1.499894     -5.666347      1.187866
  H      -2.686280     -6.363054      0.075279
  C      -2.046985     -2.633272      2.182174
  C      -0.802439     -2.693823      1.502797
  C       0.236627     -1.822729      1.785358
  C       0.079130     -0.841642      2.773639
  C      -1.122539     -0.749303      3.452059
  C      -2.208846     -1.615370      3.187814
  C      -3.438349     -1.512742      3.940642
  O      -4.251129     -2.537465      4.001462
  C      -3.902713     -0.358511      4.671758
  F      -5.029510     -0.665203      5.394399
  S      -3.366486      1.193881      4.730312
  C      -7.200474     -5.520481      3.246589
  C      -7.944044     -6.491391      3.957935
  C      -9.249516     -6.252018      4.356574
  C      -9.878586     -5.036113      4.051064
  C      -9.194438     -4.082481      3.314998
  C      -7.865560     -4.296028      2.891668
  C      -7.135268     -3.321010      2.102606
  O      -5.869768     -3.255800      2.153607
  C      -7.758362     -2.392822      1.141696
  F      -9.096762     -2.594578      0.974062
  S      -6.993562     -1.256522      0.257201
  C      -2.596403     -4.210360      5.633462
  C      -1.270608     -3.916227      6.019185
  C      -1.002242     -3.109875      7.117839
  C      -2.050249     -2.576436      7.877252
  C      -3.359359     -2.905505      7.557721
  C      -3.665407     -3.742952      6.467071
  C      -5.033297     -4.176128      6.209092
  O      -5.430964     -4.534485      5.035083
  C      -6.021935     -4.344658      7.265172
  F      -7.272364     -4.516610      6.738006
  S      -5.835235     -4.451006      8.891162
  H      -0.627576     -3.471096      0.761347
  H       1.181729     -1.923867      1.249018
  H       0.898447     -0.166073      3.022039
  H      -1.250529      0.004968      4.224729
  H      -7.460837     -7.422513      4.251207
  H      -9.779003     -7.009451      4.937409
  H     -10.894114     -4.837365      4.393851
  H      -9.680951     -3.138610      3.079478
  H      -0.443205     -4.262269      5.401504
  H       0.033098     -2.864660      7.360782
  H      -1.844421     -1.904274      8.710444
  H      -4.178113     -2.499196      8.146814
  N      -4.370511     -4.261625      0.062440
  N      -4.477735     -4.768055     -1.283457
  H      -3.860354     -4.201664     -1.895391
  H      -4.013361     -5.682805     -1.307875
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.971902987895
  N      -3.054582     -3.540911      1.900082
  C      -3.017262     -4.256070      0.623066
  C      -2.563912     -5.676715      0.937004
  N      -3.353994     -6.190102      2.088512
  C      -4.408286     -7.137996      1.658443
  C      -5.494263     -7.139464      2.708196
  N      -5.897244     -5.750051      2.866746
  Mo     -4.388971     -4.321146      3.243506
  N      -2.860731     -4.894821      4.454676
  C      -1.793965     -5.723318      3.908787
  C      -2.458359     -6.811656      3.095540
  H      -1.196771     -6.181526      4.711981
  H      -1.105216     -5.124343      3.284356
  H      -3.069873     -7.430315      3.765554
  H      -1.723483     -7.463578      2.594400
  H      -6.341795     -7.747806      2.355322
  H      -5.143378     -7.593013      3.655421
  H      -4.833177     -6.756408      0.722937
  H      -3.980857     -8.140948      1.489352
  H      -2.303984     -3.776043     -0.075267
  H      -4.762395     -3.314652      0.092683
  H      -1.499835     -5.650871      1.202348
  H      -2.671794     -6.361601      0.081923
  C      -2.046400     -2.629087      2.177237
  C      -0.806673     -2.685140      1.489042
  C       0.233596     -1.814877      1.770148
  C       0.081571     -0.839808      2.765248
  C      -1.116393     -0.750774      3.450893
  C      -2.204409     -1.615250      3.188306
  C      -3.431922     -1.515412      3.944858
  O      -4.248262     -2.538543      3.998864
  C      -3.892883     -0.366902      4.686918
  F      -5.026813     -0.675181      5.398250
  S      -3.354773      1.184312      4.761050
  C      -7.199632     -5.517206      3.247778
  C      -7.944883     -6.487147      3.958730
  C      -9.249161     -6.245035      4.359208
  C      -9.875426     -5.027111      4.055365
  C      -9.190721     -4.075368      3.317387
  C      -7.862921     -4.291867      2.891660
  C      -7.133912     -3.322915      2.093425
  O      -5.868052     -3.254369      2.145378
  C      -7.755861     -2.414803      1.113575
  F      -9.101792     -2.585850      0.979674
  S      -6.980146     -1.331933      0.171170
  C      -2.598256     -4.210141      5.635048
  C      -1.272726     -3.917333      6.022729
  C      -1.005008     -3.112248      7.122467
  C      -2.053298     -2.578272      7.881111
  C      -3.362287     -2.905783      7.559553
  C      -3.667662     -3.742312      6.467904
  C      -5.035733     -4.174154      6.208632
  O      -5.434584     -4.529981      5.035048
  C      -6.024539     -4.345247      7.265463
  F      -7.272246     -4.528979      6.736851
  S      -5.833793     -4.475670      8.888809
  H      -0.635421     -3.456967      0.740981
  H       1.175297     -1.911941      1.227070
  H       0.902282     -0.165486      3.012624
  H      -1.239913      0.000481      4.227159
  H      -7.463305     -7.419500      4.250974
  H      -9.779758     -7.001411      4.940447
  H     -10.889579     -4.825579      4.400714
  H      -9.675443     -3.130459      3.082765
  H      -0.444733     -4.263092      5.405641
  H       0.030313     -2.868096      7.366707
  H      -1.847818     -1.906973      8.715108
  H      -4.181517     -2.498552      8.147303
  N      -4.379071     -4.270915      0.071653
  N      -4.478486     -4.747570     -1.285616
  H      -3.852434     -4.177999     -1.885958
  H      -4.024401     -5.667285     -1.323443
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.972726743106
  N      -3.053430     -3.537349      1.898380
  C      -3.023217     -4.255906      0.624136
  C      -2.561553     -5.673530      0.943595
  N      -3.351644     -6.189491      2.092665
  C      -4.405189     -7.138584      1.660963
  C      -5.493436     -7.140442      2.708244
  N      -5.896176     -5.751081      2.868169
  Mo     -4.387657     -4.321319      3.241037
  N      -2.861147     -4.894803      4.454967
  C      -1.793382     -5.725566      3.913845
  C      -2.456693     -6.812719      3.099000
  H      -1.199808     -6.183591      4.719732
  H      -1.101155     -5.128556      3.291422
  H      -3.069760     -7.431627      3.767502
  H      -1.721934     -7.464389      2.597482
  H      -6.340563     -7.748122      2.353283
  H      -5.144219     -7.594804      3.655729
  H      -4.826560     -6.759482      0.723149
  H      -3.975653     -8.141202      1.494917
  H      -2.317398     -3.773894     -0.080104
  H      -4.786485     -3.332928      0.132263
  H      -1.499346     -5.637168      1.216032
  H      -2.657374     -6.358920      0.087225
  C      -2.046564     -2.624793      2.171687
  C      -0.812155     -2.674434      1.473520
  C       0.228816     -1.804274      1.752819
  C       0.082578     -0.836248      2.755709
  C      -1.110886     -0.752550      3.449969
  C      -2.200058     -1.616195      3.189434
  C      -3.424328     -1.520220      3.950872
  O      -4.244634     -2.541346      3.996534
  C      -3.879249     -0.379022      4.707736
  F      -5.009186     -0.693524      5.423562
  S      -3.326488      1.165206      4.814905
  C      -7.198675     -5.516505      3.247628
  C      -7.944699     -6.486446      3.957757
  C      -9.248544     -6.243618      4.358897
  C      -9.873566     -5.024767      4.055831
  C      -9.188952     -4.073658      3.316865
  C      -7.861408     -4.290920      2.890288
  C      -7.133547     -3.326613      2.084796
  O      -5.867199     -3.254792      2.139095
  C      -7.752976     -2.438000      1.087141
  F      -9.104845     -2.575113      0.983878
  S      -6.965853     -1.411222      0.090445
  C      -2.600468     -4.211030      5.636364
  C      -1.275376     -3.919263      6.026530
  C      -1.008976     -3.115669      7.127742
  C      -2.057805     -2.582218      7.885992
  C      -3.366478     -2.908563      7.561945
  C      -3.670323     -3.742621      6.468050
  C      -5.038107     -4.173253      6.207053
  O      -5.437495     -4.526969      5.034017
  C      -6.027211     -4.343170      7.265265
  F      -7.280916     -4.490012      6.740571
  S      -5.835925     -4.453008      8.889689
  H      -0.644416     -3.439948      0.718193
  H       1.166472     -1.895918      1.201821
  H       0.904195     -0.162535      3.001880
  H      -1.229683     -0.005255      4.230862
  H      -7.463612     -7.419299      4.249368
  H      -9.779659     -6.999684      4.940085
  H     -10.887082     -4.822057      4.402484
  H      -9.673085     -3.128426      3.082776
  H      -0.446204     -4.264146      5.410541
  H       0.026221     -2.872491      7.373610
  H      -1.853073     -1.912534      8.721453
  H      -4.186777     -2.502083      8.148897
  N      -4.387166     -4.281764      0.077711
  N      -4.477438     -4.725494     -1.287625
  H      -3.859107     -4.148190     -1.886127
  H      -4.048418     -5.654961     -1.344668
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.973458954248
  N      -3.052001     -3.536115      1.896600
  C      -3.025649     -4.258438      0.625643
  C      -2.557276     -5.672491      0.951631
  N      -3.349958     -6.186855      2.097892
  C      -4.402727     -7.137214      1.664077
  C      -5.492765     -7.139021      2.708972
  N      -5.895324     -5.749859      2.869910
  Mo     -4.386345     -4.320099      3.239515
  N      -2.862637     -4.894985      4.458416
  C      -1.794347     -5.728405      3.922416
  C      -2.456845     -6.813294      3.104589
  H      -1.205695     -6.187546      4.731256
  H      -1.097250     -5.133799      3.303177
  H      -3.071952     -7.432989      3.770509
  H      -1.722303     -7.464505      2.602434
  H      -6.339660     -7.746019      2.352273
  H      -5.144994     -7.594095      3.656665
  H      -4.820178     -6.759736      0.723976
  H      -3.971016     -8.139442      1.501497
  H      -2.328926     -3.774990     -0.085857
  H      -4.802142     -3.355972      0.165612
  H      -1.496734     -5.630286      1.229955
  H      -2.644977     -6.358235      0.094580
  C      -2.046684     -2.621622      2.166352
  C      -0.817550     -2.665098      1.458060
  C       0.224097     -1.794713      1.733790
  C       0.084085     -0.832252      2.742956
  C      -1.104236     -0.753836      3.446441
  C      -2.194293     -1.617728      3.190265
  C      -3.414061     -1.524773      3.958161
  O      -4.239305     -2.542813      3.995035
  C      -3.861420     -0.390685      4.730101
  F      -5.005623     -0.701403      5.425474
  S      -3.303490      1.150320      4.854979
  C      -7.197711     -5.513979      3.247895
  C      -7.944074     -6.483960      3.957781
  C      -9.247790     -6.241051      4.358970
  C      -9.872252     -5.021971      4.055557
  C      -9.187829     -4.071137      3.316052
  C      -7.860259     -4.288377      2.889297
  C      -7.132720     -3.327787      2.078761
  O      -5.865819     -3.253943      2.136033
  C      -7.749731     -2.452790      1.069696
  F      -9.106044     -2.554874      0.994695
  S      -6.954012     -1.473776      0.030757
  C      -2.603559     -4.211020      5.639931
  C      -1.278652     -3.921166      6.032519
  C      -1.013077     -3.116865      7.133390
  C      -2.062152     -2.580557      7.889202
  C      -3.370690     -2.905370      7.563329
  C      -3.673707     -3.740383      6.469889
  C      -5.041428     -4.169499      6.206414
  O      -5.439674     -4.522356      5.033729
  C      -6.032831     -4.339777      7.263860
  F      -7.283209     -4.497597      6.736043
  S      -5.839651     -4.473111      8.885870
  H      -0.654224     -3.425525      0.696810
  H       1.157214     -1.881518      1.174372
  H       0.906226     -0.158182      2.986378
  H      -1.218310     -0.009573      4.231066
  H      -7.462833     -7.416725      4.249423
  H      -9.779149     -6.996771      4.940354
  H     -10.885549     -4.818667      4.402553
  H      -9.671819     -3.125938      3.082026
  H      -0.448375     -4.267231      5.418762
  H       0.022164     -2.874956      7.380362
  H      -1.857775     -1.909883      8.723919
  H      -4.191549     -2.496089      8.147395
  N      -4.390508     -4.296193      0.080889
  N      -4.471975     -4.704483     -1.289342
  H      -3.864498     -4.118018     -1.886260
  H      -4.076095     -5.644997     -1.368249
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.974023673359
  N      -3.052355     -3.536410      1.893000
  C      -3.024952     -4.263328      0.624930
  C      -2.550012     -5.672788      0.958386
  N      -3.348188     -6.183535      2.101846
  C      -4.399807     -7.134428      1.663952
  C      -5.491406     -7.137339      2.706614
  N      -5.893821     -5.748514      2.870900
  Mo     -4.385144     -4.319091      3.238208
  N      -2.864441     -4.895362      4.463003
  C      -1.796253     -5.731928      3.931960
  C      -2.458321     -6.814000      3.110276
  H      -1.213461     -6.193426      4.743750
  H      -1.093329     -5.139974      3.316795
  H      -3.075710     -7.434752      3.772968
  H      -1.723836     -7.464722      2.607682
  H      -6.338283     -7.742927      2.347448
  H      -5.145316     -7.594669      3.653821
  H      -4.813803     -6.755628      0.722832
  H      -3.966374     -8.136068      1.502924
  H      -2.337153     -3.779415     -0.094202
  H      -4.817002     -3.385326      0.193706
  H      -1.491010     -5.627294      1.241746
  H      -2.632843     -6.360341      0.102227
  C      -2.049045     -2.618468      2.159075
  C      -0.825323     -2.656395      1.440537
  C       0.217687     -1.786781      1.711915
  C       0.085141     -0.829789      2.727214
  C      -1.097517     -0.756039      3.440433
  C      -2.189813     -1.618888      3.188831
  C      -3.404952     -1.528666      3.964635
  O      -4.234682     -2.543503      3.992899
  C      -3.847372     -0.402411      4.751271
  F      -4.994877     -0.717504      5.439664
  S      -3.281747      1.133214      4.904871
  C      -7.196186     -5.513008      3.247737
  C      -7.942279     -6.484098      3.956732
  C      -9.245975     -6.242238      4.358155
  C      -9.870737     -5.023169      4.055270
  C      -9.187046     -4.071517      3.316310
  C      -7.859280     -4.287423      2.889162
  C      -7.132427     -3.328818      2.075648
  O      -5.864868     -3.254056      2.134363
  C      -7.749494     -2.461398      1.061898
  F      -9.108345     -2.538028      1.008900
  S      -6.951374     -1.516208     -0.006916
  C      -2.607055     -4.210284      5.643883
  C      -1.282456     -3.922124      6.039215
  C      -1.018123     -3.116903      7.139618
  C      -2.067857     -2.578428      7.893027
  C      -3.376039     -2.902156      7.565217
  C      -3.677907     -3.737369      6.471547
  C      -5.045309     -4.165158      6.205574
  O      -5.442092     -4.518458      5.033337
  C      -6.039062     -4.332489      7.262321
  F      -7.289232     -4.483476      6.733349
  S      -5.846184     -4.468363      8.883786
  H      -0.667835     -3.412871      0.674304
  H       1.146081     -1.870061      1.144176
  H       0.908437     -0.156107      2.967709
  H      -1.205808     -0.015781      4.229440
  H      -7.460100     -7.416520      4.247820
  H      -9.777011     -6.998348      4.939272
  H     -10.884032     -4.820270      4.402508
  H      -9.671545     -3.126467      3.083190
  H      -0.450987     -4.269900      5.428112
  H       0.016998     -2.876104      7.388088
  H      -1.864147     -1.907011      8.727237
  H      -4.197590     -2.491136      8.147108
  N      -4.389071     -4.313622      0.079069
  N      -4.461320     -4.684740     -1.295527
  H      -3.854968     -4.089834     -1.882963
  H      -4.096560     -5.634650     -1.396316
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.974529712861
  N      -3.054252     -3.539129      1.888696
  C      -3.020743     -4.270547      0.622568
  C      -2.541884     -5.675534      0.963933
  N      -3.347898     -6.180716      2.105095
  C      -4.398327     -7.131107      1.661616
  C      -5.491161     -7.135866      2.702435
  N      -5.892635     -5.747162      2.871769
  Mo     -4.384377     -4.318583      3.238072
  N      -2.866567     -4.897004      4.469092
  C      -1.799689     -5.737524      3.942120
  C      -2.462637     -6.815940      3.116209
  H      -1.223305     -6.202936      4.756394
  H      -1.090198     -5.148721      3.331496
  H      -3.082805     -7.437336      3.775474
  H      -1.728548     -7.466806      2.613451
  H      -6.338526     -7.739072      2.340388
  H      -5.147151     -7.596749      3.648631
  H      -4.809734     -6.747993      0.721009
  H      -3.964032     -8.132109      1.499857
  H      -2.338107     -3.787693     -0.101396
  H      -4.829639     -3.417348      0.210352
  H      -1.484227     -5.630112      1.251822
  H      -2.623683     -6.366339      0.110261
  C      -2.052995     -2.616478      2.151689
  C      -0.833050     -2.648881      1.425539
  C       0.209771     -1.777921      1.691635
  C       0.081665     -0.822853      2.709255
  C      -1.096120     -0.754288      3.430464
  C      -2.187888     -1.619948      3.185439
  C      -3.397554     -1.531555      3.969463
  O      -4.231288     -2.543041      3.990662
  C      -3.831369     -0.411399      4.769907
  F      -4.986404     -0.723161      5.447336
  S      -3.249574      1.115085      4.950819
  C      -7.194984     -5.513087      3.248457
  C      -7.940361     -6.485928      3.956136
  C      -9.243756     -6.245404      4.358814
  C      -9.869016     -5.026049      4.058113
  C      -9.186458     -4.072836      3.320405
  C      -7.858775     -4.287061      2.891517
  C      -7.132389     -3.329002      2.076998
  O      -5.863983     -3.256093      2.135065
  C      -7.749457     -2.464317      1.062275
  F      -9.109596     -2.529933      1.019024
  S      -6.951574     -1.532650     -0.018200
  C      -2.610448     -4.210573      5.648809
  C      -1.286062     -3.924663      6.047043
  C      -1.022769     -3.117734      7.146286
  C      -2.073253     -2.575876      7.896456
  C      -3.381089     -2.898437      7.566974
  C      -3.682252     -3.734885      6.473874
  C      -5.049641     -4.160792      6.205525
  O      -5.445002     -4.515405      5.033704
  C      -6.046000     -4.324201      7.261175
  F      -7.295884     -4.468545      6.730553
  S      -5.854863     -4.462493      8.882371
  H      -0.679324     -3.403570      0.657147
  H       1.134302     -1.858112      1.117223
  H       0.904199     -0.146683      2.945180
  H      -1.202109     -0.015570      4.221388
  H      -7.456982     -7.418198      4.245576
  H      -9.774051     -7.002422      4.939367
  H     -10.882103     -4.823899      4.406349
  H      -9.671588     -3.127613      3.089963
  H      -0.453713     -4.275602      5.438978
  H       0.012226     -2.878177      7.396350
  H      -1.870104     -1.902595      8.729263
  H      -4.202989     -2.484566      8.146292
  N      -4.382123     -4.330817      0.069469
  N      -4.442031     -4.666120     -1.308630
  H      -3.827788     -4.064371     -1.879240
  H      -4.107388     -5.624042     -1.430123
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.975045964450
  N      -3.060256     -3.541971      1.884525
  C      -3.014575     -4.276380      0.618606
  C      -2.536220     -5.678891      0.964808
  N      -3.349157     -6.179011      2.106217
  C      -4.398970     -7.128325      1.659081
  C      -5.492008     -7.135038      2.699630
  N      -5.892013     -5.746164      2.873606
  Mo     -4.384643     -4.317578      3.239926
  N      -2.868111     -4.897338      4.474158
  C      -1.803029     -5.741075      3.948553
  C      -2.467611     -6.816889      3.119966
  H      -1.230857     -6.210016      4.763949
  H      -1.088972     -5.154761      3.340920
  H      -3.089929     -7.437812      3.777452
  H      -1.734088     -7.468769      2.617746
  H      -6.340233     -7.735819      2.335639
  H      -5.149521     -7.599140      3.644723
  H      -4.809906     -6.740213      0.720156
  H      -3.964986     -8.128932      1.494837
  H      -2.328885     -3.795103     -0.102992
  H      -4.837010     -3.440983      0.201395
  H      -1.479587     -5.635831      1.256315
  H      -2.619866     -6.372670      0.113726
  C      -2.059519     -2.616314      2.146074
  C      -0.840754     -2.648194      1.417202
  C       0.203163     -1.777937      1.679477
  C       0.078531     -0.822368      2.696806
  C      -1.096675     -0.754384      3.421812
  C      -2.189864     -1.619845      3.180867
  C      -3.396326     -1.530752      3.970535
  O      -4.231594     -2.540309      3.988676
  C      -3.829004     -0.413339      4.776060
  F      -4.984806     -0.727772      5.450595
  S      -3.239877      1.107830      4.977286
  C      -7.194326     -5.514400      3.251810
  C      -7.938502     -6.488864      3.958659
  C      -9.241364     -6.249496      4.363396
  C      -9.867588     -5.029912      4.065347
  C      -9.186449     -4.075245      3.328559
  C      -7.859120     -4.288019      2.897637
  C      -7.133966     -3.329779      2.082972
  O      -5.864940     -3.259610      2.137812
  C      -7.752809     -2.461418      1.072722
  F      -9.112952     -2.538191      1.024400
  S      -6.958845     -1.521347     -0.002152
  C      -2.612561     -4.209658      5.652569
  C      -1.288212     -3.926174      6.052915
  C      -1.025135     -3.118448      7.151439
  C      -2.075966     -2.573778      7.899342
  C      -3.383720     -2.894419      7.568466
  C      -3.685140     -3.731356      6.475632
  C      -5.052875     -4.155268      6.206557
  O      -5.448054     -4.512061      5.035410
  C      -6.050307     -4.314451      7.262005
  F      -7.300270     -4.456356      6.730972
  S      -5.860261     -4.452282      8.883248
  H      -0.689356     -3.404003      0.649767
  H       1.125971     -1.859418      1.102524
  H       0.901584     -0.145869      2.929808
  H      -1.200700     -0.016338      4.213397
  H      -7.454105     -7.421205      4.245998
  H      -9.770560     -7.007630      4.943436
  H     -10.880423     -4.828800      4.414807
  H      -9.672606     -3.130026      3.100117
  H      -0.455820     -4.280884      5.447090
  H       0.009834     -2.880753      7.403186
  H      -1.872801     -1.899745      8.731500
  H      -4.205399     -2.478512      8.146641
  N      -4.369937     -4.339724      0.047296
  N      -4.410100     -4.644004     -1.336167
  H      -3.769910     -4.044230     -1.879322
  H      -4.109262     -5.611318     -1.470649
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.975407004614
  N      -3.066334     -3.546530      1.882206
  C      -3.011812     -4.281128      0.616093
  C      -2.536257     -5.683408      0.962379
  N      -3.350785     -6.181268      2.106037
  C      -4.400337     -7.129386      1.657504
  C      -5.493045     -7.137941      2.698532
  N      -5.891157     -5.748628      2.875441
  Mo     -4.384617     -4.318908      3.242411
  N      -2.868350     -4.898879      4.476572
  C      -1.804722     -5.744542      3.950525
  C      -2.470614     -6.819173      3.121019
  H      -1.234228     -6.215575      4.766013
  H      -1.088671     -5.159462      3.344158
  H      -3.093899     -7.439060      3.778517
  H      -1.737470     -7.472225      2.619704
  H      -6.342120     -7.736674      2.333282
  H      -5.151607     -7.604332      3.642803
  H      -4.811757     -6.737250      0.720177
  H      -3.967203     -8.129836      1.490202
  H      -2.319435     -3.801369     -0.099430
  H      -4.844521     -3.453626      0.185098
  H      -1.479765     -5.642902      1.254830
  H      -2.624111     -6.378264      0.112824
  C      -2.064484     -2.619462      2.144292
  C      -0.842262     -2.653215      1.420531
  C       0.200642     -1.781471      1.681873
  C       0.072562     -0.820436      2.693350
  C      -1.104177     -0.751460      3.415272
  C      -2.195152     -1.620254      3.176563
  C      -3.400494     -1.529420      3.967132
  O      -4.234683     -2.539161      3.986512
  C      -3.831693     -0.411089      4.772130
  F      -4.997561     -0.717322      5.432661
  S      -3.238726      1.108472      4.974040
  C      -7.193530     -5.518312      3.255487
  C      -7.937009     -6.492894      3.962772
  C      -9.238995     -6.252879      4.369948
  C      -9.865305     -5.032734      4.073921
  C      -9.185041     -4.078243      3.336288
  C      -7.858668     -4.291787      2.902973
  C      -7.134675     -3.334612      2.086891
  O      -5.865381     -3.267072      2.137748
  C      -7.755372     -2.460907      1.081641
  F      -9.116312     -2.538885      1.037177
  S      -6.967194     -1.486471      0.034713
  C      -2.612708     -4.210390      5.654127
  C      -1.288255     -3.928741      6.055433
  C      -1.024744     -3.120438      7.153325
  C      -2.075539     -2.573333      7.899658
  C      -3.383448     -2.892267      7.568068
  C      -3.685657     -3.730017      6.475958
  C      -5.053988     -4.152347      6.207643
  O      -5.450211     -4.511084      5.037228
  C      -6.051242     -4.308028      7.263665
  F      -7.302870     -4.441113      6.733744
  S      -5.862574     -4.438092      8.885756
  H      -0.686373     -3.412902      0.658256
  H       1.125292     -1.865899      1.108320
  H       0.893996     -0.141393      2.924607
  H      -1.212151     -0.010143      4.203487
  H      -7.452708     -7.425665      4.248850
  H      -9.767477     -7.011132      4.950480
  H     -10.877446     -4.831399      4.425202
  H      -9.671352     -3.132818      3.108568
  H      -0.456464     -4.286650      5.450622
  H       0.010292     -2.884258      7.406166
  H      -1.872003     -1.898773      8.731317
  H      -4.204627     -2.474517      8.145613
  N      -4.360319     -4.341139      0.024772
  N      -4.379115     -4.618427     -1.366067
  H      -3.703569     -4.029817     -1.877386
  H      -4.112521     -5.594324     -1.510747
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.975582163208
  N      -3.072282     -3.548713      1.882940
  C      -3.013970     -4.281002      0.616591
  C      -2.542530     -5.685055      0.959450
  N      -3.354546     -6.183777      2.105601
  C      -4.404907     -7.129740      1.656767
  C      -5.496974     -7.139791      2.698681
  N      -5.891970     -5.749721      2.878031
  Mo     -4.384830     -4.319315      3.245864
  N      -2.868841     -4.899857      4.477227
  C      -1.806852     -5.747180      3.949717
  C      -2.474417     -6.820939      3.120224
  H      -1.236548     -6.219542      4.764605
  H      -1.090336     -5.162695      3.343438
  H      -3.098355     -7.439315      3.778642
  H      -1.741902     -7.475457      2.619778
  H      -6.347298     -7.736096      2.332505
  H      -5.156225     -7.608431      3.642033
  H      -4.816765     -6.734208      0.720754
  H      -3.973485     -8.130404      1.485871
  H      -2.312908     -3.802317     -0.090935
  H      -4.853451     -3.453839      0.171133
  H      -1.485655     -5.646551      1.251350
  H      -2.634922     -6.378637      0.109677
  C      -2.068416     -2.622136      2.146055
  C      -0.842416     -2.659148      1.428840
  C       0.199531     -1.785985      1.690227
  C       0.066995     -0.818683      2.694939
  C      -1.112470     -0.747294      3.411993
  C      -2.201200     -1.618970      3.174246
  C      -3.406888     -1.526478      3.963637
  O      -4.238611     -2.537747      3.986329
  C      -3.838865     -0.406361      4.765587
  F      -4.994688     -0.717288      5.441198
  S      -3.235710      1.107773      4.978147
  C      -7.193880     -5.518812      3.260918
  C      -7.937175     -6.492339      3.969493
  C      -9.237440     -6.249668      4.380696
  C      -9.862353     -5.028011      4.087622
  C      -9.182665     -4.074927      3.347616
  C      -7.858268     -4.291579      2.909866
  C      -7.135119     -3.337010      2.090185
  O      -5.865645     -3.273262      2.135618
  C      -7.755859     -2.461325      1.085378
  F      -9.111766     -2.587003      1.001164
  S      -6.966560     -1.506883      0.022031
  C      -2.612079     -4.210775      5.654248
  C      -1.287243     -3.930601      6.055083
  C      -1.022320     -3.121288      7.151881
  C      -2.072365     -2.571115      7.897025
  C      -3.380830     -2.888184      7.565657
  C      -3.684653     -3.727830      6.475386
  C      -5.053860     -4.149074      6.209371
  O      -5.452093     -4.509466      5.039806
  C      -6.049812     -4.302993      7.266648
  F      -7.300245     -4.449522      6.736691
  S      -5.859738     -4.442893      8.887859
  H      -0.680614     -3.422816      0.671841
  H       1.126844     -1.874158      1.121540
  H       0.886979     -0.137474      2.925023
  H      -1.224926     -0.001847      4.195849
  H      -7.454243     -7.426366      4.253919
  H      -9.765521     -7.007192      4.962587
  H     -10.872797     -4.824803      4.442674
  H      -9.667804     -3.128548      3.121481
  H      -0.456668     -4.291489      5.450320
  H       0.013013     -2.886547      7.404905
  H      -1.867766     -1.895837      8.727886
  H      -4.201102     -2.467952      8.142661
  N      -4.355380     -4.333184      0.006598
  N      -4.352096     -4.585254     -1.392484
  H      -3.638899     -4.014126     -1.871079
  H      -4.118452     -5.568037     -1.547628
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.975806775658
  N      -3.072957     -3.551012      1.883770
  C      -3.015129     -4.282643      0.618517
  C      -2.545689     -5.687929      0.960367
  N      -3.354793     -6.187491      2.107137
  C      -4.405199     -7.133129      1.658132
  C      -5.497213     -7.143943      2.699871
  N      -5.890495     -5.753494      2.879712
  Mo     -4.382936     -4.321869      3.246900
  N      -2.868233     -4.901365      4.477496
  C      -1.806687     -5.749927      3.950862
  C      -2.474470     -6.823634      3.121576
  H      -1.237069     -6.222237      4.766244
  H      -1.089563     -5.165982      3.344804
  H      -3.098835     -7.441269      3.780413
  H      -1.741917     -7.478772      2.621982
  H      -6.348086     -7.739147      2.333203
  H      -5.156763     -7.613336      3.642949
  H      -4.816362     -6.736934      0.721989
  H      -3.973849     -8.133739      1.486278
  H      -2.309171     -3.804930     -0.085252
  H      -4.858681     -3.456769      0.173189
  H      -1.488365     -5.649999      1.251199
  H      -2.640774     -6.380023      0.109842
  C      -2.069431     -2.624106      2.146265
  C      -0.843654     -2.662955      1.429735
  C       0.198307     -1.789276      1.689377
  C       0.065321     -0.819347      2.691427
  C      -1.114698     -0.746009      3.407709
  C      -2.203840     -1.617793      3.171356
  C      -3.410550     -1.526116      3.960795
  O      -4.239963     -2.539442      3.984441
  C      -3.850328     -0.406473      4.759678
  F      -5.003705     -0.725346      5.435767
  S      -3.260659      1.113360      4.970169
  C      -7.192101     -5.521095      3.263304
  C      -7.936196     -6.493046      3.972973
  C      -9.235933     -6.248044      4.384713
  C      -9.859837     -5.026091      4.090328
  C      -9.179613     -4.074953      3.348276
  C      -7.855528     -4.293802      2.911102
  C      -7.133195     -3.342858      2.087079
  O      -5.863519     -3.280801      2.129053
  C      -7.756436     -2.468404      1.082493
  F      -9.115833     -2.569748      1.024568
  S      -6.973064     -1.489196      0.037434
  C      -2.611689     -4.211599      5.654439
  C      -1.286928     -3.931773      6.055552
  C      -1.022004     -3.121724      7.151850
  C      -2.072052     -2.570534      7.896159
  C      -3.380589     -2.887123      7.564353
  C      -3.684366     -3.727280      6.474499
  C      -5.053786     -4.148295      6.209242
  O      -5.452755     -4.509756      5.040178
  C      -6.049209     -4.299980      7.267285
  F      -7.299997     -4.447456      6.738109
  S      -5.858504     -4.436928      8.888722
  H      -0.680314     -3.428400      0.674382
  H       1.126044     -1.879655      1.121691
  H       0.885315     -0.137649      2.920089
  H      -1.227246      0.001090      4.189616
  H      -7.454653     -7.427684      4.257871
  H      -9.764667     -7.004336      4.967633
  H     -10.869955     -4.821533      4.445549
  H      -9.664086     -3.128690      3.119473
  H      -0.456498     -4.293730      5.451205
  H       0.013327     -2.887422      7.405335
  H      -1.867461     -1.895181      8.726955
  H      -4.200945     -2.466199      8.140816
  N      -4.351199     -4.329658     -0.002030
  N      -4.331836     -4.558683     -1.405493
  H      -3.589244     -4.007256     -1.861455
  H      -4.131120     -5.546538     -1.573769
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.975824971009
  N      -3.070824     -3.553188      1.887888
  C      -3.016267     -4.282468      0.622337
  C      -2.550025     -5.690264      0.960350
  N      -3.356038     -6.191402      2.106853
  C      -4.407677     -7.135701      1.657717
  C      -5.498820     -7.147199      2.700122
  N      -5.889935     -5.756583      2.881138
  Mo     -4.380273     -4.325335      3.248758
  N      -2.867124     -4.905711      4.476871
  C      -1.806562     -5.755182      3.949581
  C      -2.475347     -6.828092      3.120025
  H      -1.236797     -6.227957      4.764531
  H      -1.089634     -5.171080      3.343406
  H      -3.099986     -7.445519      3.778904
  H      -1.743191     -7.483534      2.620238
  H      -6.350699     -7.741067      2.333604
  H      -5.157561     -7.617859      3.642299
  H      -4.818342     -6.738587      0.721644
  H      -3.976920     -8.136331      1.484117
  H      -2.305069     -3.805796     -0.077387
  H      -4.856769     -3.451172      0.177248
  H      -1.491658     -5.655025      1.248037
  H      -2.649060     -6.378390      0.107149
  C      -2.068998     -2.624886      2.150090
  C      -0.842611     -2.664629      1.435777
  C       0.196923     -1.787262      1.693571
  C       0.059600     -0.812681      2.690599
  C      -1.121817     -0.739063      3.404831
  C      -2.207667     -1.615491      3.171172
  C      -3.415119     -1.526343      3.959633
  O      -4.240618     -2.543147      3.986027
  C      -3.859409     -0.406044      4.754908
  F      -5.033220     -0.714494      5.400181
  S      -3.295193      1.127535      4.931907
  C      -7.190467     -5.521547      3.266122
  C      -7.935563     -6.492048      3.976572
  C      -9.234065     -6.243978      4.390454
  C      -9.855821     -5.020629      4.097259
  C      -9.174978     -4.071116      3.353644
  C      -7.852196     -4.293251      2.914221
  C      -7.130235     -3.345488      2.086234
  O      -5.860376     -3.286558      2.123287
  C      -7.755679     -2.471363      1.082531
  F      -9.114636     -2.575360      1.025512
  S      -6.973997     -1.496306      0.032417
  C      -2.609607     -4.217407      5.655026
  C      -1.284519     -3.939019      6.055694
  C      -1.018504     -3.130782      7.153172
  C      -2.067767     -2.580428      7.899030
  C      -3.376730     -2.895807      7.567350
  C      -3.681403     -3.733596      6.476047
  C      -5.051432     -4.153091      6.210989
  O      -5.451438     -4.512807      5.041578
  C      -6.046060     -4.303770      7.269573
  F      -7.301008     -4.425725      6.743335
  S      -5.856656     -4.419486      8.893004
  H      -0.675544     -3.432520      0.683429
  H       1.125837     -1.878136      1.127918
  H       0.877303     -0.127515      2.916988
  H      -1.237693      0.011784      4.182711
  H      -7.455886     -7.427895      4.260680
  H      -9.763442     -6.999011      4.974418
  H     -10.864754     -4.813957      4.454591
  H      -9.657676     -3.123929      3.124958
  H      -0.454643     -4.300374      5.450234
  H       0.017096     -2.897511      7.406492
  H      -1.862427     -1.906935      8.731144
  H      -4.196709     -2.475540      8.144845
  N      -4.347506     -4.321167     -0.006281
  N      -4.314344     -4.532960     -1.411821
  H      -3.544340     -4.005123     -1.849866
  H      -4.143532     -5.524787     -1.590140
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.975947408921
  N      -3.068587     -3.555730      1.889944
  C      -3.016430     -4.284424      0.624164
  C      -2.552208     -5.693639      0.960764
  N      -3.357153     -6.195025      2.107053
  C      -4.409665     -7.138910      1.658732
  C      -5.500648     -7.149501      2.701356
  N      -5.890866     -5.758730      2.881264
  Mo     -4.379548     -4.327817      3.248502
  N      -2.867889     -4.907575      4.475905
  C      -1.807530     -5.757696      3.949081
  C      -2.476518     -6.831177      3.120357
  H      -1.237311     -6.229559      4.764183
  H      -1.091211     -5.173750      3.342001
  H      -3.101397     -7.447947      3.779665
  H      -1.744386     -7.487162      2.621222
  H      -6.352892     -7.743289      2.335547
  H      -5.158875     -7.619739      3.643581
  H      -4.819802     -6.742696      0.722023
  H      -3.979201     -8.139757      1.485431
  H      -2.301928     -3.808899     -0.073196
  H      -4.851602     -3.447386      0.176726
  H      -1.493265     -5.659814      1.246640
  H      -2.652520     -6.379537      0.105897
  C      -2.068868     -2.625196      2.151418
  C      -0.840759     -2.664761      1.440424
  C       0.195298     -1.782685      1.697378
  C       0.051918     -0.803631      2.689298
  C      -1.131277     -0.731097      3.400721
  C      -2.212343     -1.613535      3.169002
  C      -3.420289     -1.526023      3.955228
  O      -4.242352     -2.545604      3.985479
  C      -3.862502     -0.404482      4.749303
  F      -5.018658     -0.719163      5.423128
  S      -3.283827      1.122524      4.934958
  C      -7.190749     -5.521306      3.266197
  C      -7.936944     -6.490123      3.977801
  C      -9.234610     -6.239402      4.392662
  C      -9.854397     -5.015049      4.099477
  C      -9.172738     -4.067310      3.354350
  C      -7.850937     -4.292405      2.913309
  C      -7.128651     -3.347200      2.082506
  O      -5.858826     -3.290063      2.117014
  C      -7.754739     -2.474100      1.078047
  F      -9.114384     -2.569081      1.029117
  S      -6.973445     -1.493927      0.032390
  C      -2.609912     -4.218658      5.654052
  C      -1.284712     -3.939617      6.053552
  C      -1.018277     -3.129887      7.149928
  C      -2.067211     -2.578354      7.895224
  C      -3.376380     -2.894219      7.564448
  C      -3.681337     -3.734136      6.474906
  C      -5.051612     -4.154152      6.210438
  O      -5.451371     -4.514226      5.040926
  C      -6.046024     -4.305896      7.268774
  F      -7.299039     -4.442006      6.741200
  S      -5.855960     -4.432618      8.891451
  H      -0.669095     -3.434969      0.691570
  H       1.125907     -1.872744      1.134429
  H       0.866450     -0.114202      2.914067
  H      -1.252002      0.023529      4.174580
  H      -7.458715     -7.426583      4.262329
  H      -9.764726     -6.992989      4.977824
  H     -10.862447     -4.806321      4.458098
  H      -9.653761     -3.119344      3.125605
  H      -0.454987     -4.301194      5.448025
  H       0.017426     -2.896111      7.402353
  H      -1.861638     -1.903555      8.726243
  H      -4.196212     -2.472773      8.141183
  N      -4.345517     -4.318505     -0.007745
  N      -4.305946     -4.527786     -1.413360
  H      -3.524370     -4.012766     -1.846385
  H      -4.147127     -5.521626     -1.592284
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.975981674772
  N      -3.066853     -3.556644      1.892200
  C      -3.014966     -4.284527      0.625272
  C      -2.552589     -5.694694      0.960370
  N      -3.358116     -6.195911      2.106318
  C      -4.411379     -7.139124      1.658145
  C      -5.502040     -7.149353      2.701288
  N      -5.891884     -5.758672      2.881523
  Mo     -4.378929     -4.328928      3.249020
  N      -2.867823     -4.908788      4.475408
  C      -1.807890     -5.758965      3.947807
  C      -2.477580     -6.832561      3.119665
  H      -1.236743     -6.230519      4.762406
  H      -1.092542     -5.174895      3.339674
  H      -3.102316     -7.449149      3.779229
  H      -1.745759     -7.488749      2.620335
  H      -6.354570     -7.743021      2.335942
  H      -5.159660     -7.619929      3.643128
  H      -4.821508     -6.742700      0.721514
  H      -3.981327     -8.140070      1.484381
  H      -2.298234     -3.809496     -0.070355
  H      -4.844130     -3.441210      0.173555
  H      -1.493165     -5.663385      1.244568
  H      -2.654479     -6.378788      0.104173
  C      -2.069008     -2.624113      2.153045
  C      -0.839969     -2.664859      1.443659
  C       0.195364     -1.782087      1.700654
  C       0.050363     -0.802269      2.691491
  C      -1.133672     -0.728885      3.401481
  C      -2.215064     -1.610961      3.168841
  C      -3.424464     -1.524830      3.953855
  O      -4.243362     -2.546774      3.986494
  C      -3.873497     -0.402660      4.743365
  F      -5.021356     -0.726161      5.426918
  S      -3.306806      1.129753      4.921247
  C      -7.191224     -5.519922      3.266514
  C      -7.938341     -6.488370      3.977858
  C      -9.235364     -6.236258      4.393654
  C      -9.853650     -5.010794      4.101855
  C      -9.171364     -4.063496      3.356861
  C      -7.850201     -4.290046      2.914334
  C      -7.127572     -3.345604      2.082803
  O      -5.857842     -3.290452      2.114720
  C      -7.754344     -2.471394      1.079237
  F      -9.113277     -2.571601      1.025573
  S      -6.972788     -1.493988      0.031380
  C      -2.608879     -4.219662      5.653444
  C      -1.283432     -3.939756      6.051244
  C      -1.016311     -3.129618      7.147233
  C      -2.064757     -2.578651      7.893577
  C      -3.374149     -2.895107      7.564115
  C      -3.679704     -3.735220      6.474953
  C      -5.050099     -4.155797      6.211328
  O      -5.449861     -4.515766      5.041659
  C      -6.043870     -4.307595      7.269786
  F      -7.295971     -4.452733      6.742269
  S      -5.852571     -4.437579      8.892188
  H      -0.667357     -3.436854      0.696915
  H       1.127044     -1.872888      1.139571
  H       0.864811     -0.112998      2.917128
  H      -1.254313      0.025686      4.175047
  H      -7.460999     -7.425472      4.261740
  H      -9.766075     -6.989464      4.978773
  H     -10.861092     -4.800938      4.461534
  H      -9.651205     -3.114645      3.129449
  H      -0.453989     -4.300872      5.445053
  H       0.019552     -2.895315      7.398502
  H      -1.858732     -1.903741      8.724401
  H      -4.193694     -2.474304      8.141776
  N      -4.343210     -4.315715     -0.008207
  N      -4.301528     -4.529110     -1.413138
  H      -3.515368     -4.020652     -1.846227
  H      -4.146426     -5.524472     -1.588039
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.976007971966
  N      -3.063326     -3.559750      1.896024
  C      -3.011639     -4.286324      0.627520
  C      -2.553024     -5.698130      0.960467
  N      -3.359574     -6.198487      2.105870
  C      -4.414037     -7.140459      1.657557
  C      -5.504349     -7.150141      2.701224
  N      -5.893140     -5.759536      2.882211
  Mo     -4.377283     -4.332071      3.250382
  N      -2.867431     -4.912613      4.475564
  C      -1.808381     -5.763097      3.946815
  C      -2.479439     -6.836390      3.119255
  H      -1.236180     -6.234590      4.760679
  H      -1.094132     -5.179014      3.337356
  H      -3.104253     -7.452614      3.779017
  H      -1.748335     -7.493045      2.619498
  H      -6.357429     -7.743265      2.336230
  H      -5.161416     -7.621563      3.642448
  H      -4.823858     -6.743265      0.721081
  H      -3.984804     -8.141610      1.482992
  H      -2.291495     -3.812225     -0.065440
  H      -4.831654     -3.433310      0.169613
  H      -1.492839     -5.671781      1.242012
  H      -2.658463     -6.379434      0.102412
  C      -2.068998     -2.623193      2.155716
  C      -0.838291     -2.663494      1.449064
  C       0.193390     -1.776073      1.704518
  C       0.042778     -0.792743      2.691080
  C      -1.142658     -0.720492      3.398764
  C      -2.220564     -1.607246      3.167581
  C      -3.430961     -1.523994      3.951182
  O      -4.244443     -2.549991      3.988559
  C      -3.885046     -0.400436      4.735645
  F      -5.027257     -0.728078      5.426522
  S      -3.329888      1.137807      4.897673
  C      -7.191625     -5.518396      3.266973
  C      -7.940910     -6.486176      3.977272
  C      -9.237121     -6.231582      4.393737
  C      -9.852643     -5.004221      4.103719
  C      -9.168619     -4.057712      3.359538
  C      -7.848147     -4.286725      2.915894
  C      -7.124663     -3.343972      2.083230
  O      -5.855106     -3.292373      2.110962
  C      -7.752796     -2.466820      1.082344
  F      -9.111308     -2.568987      1.027765
  S      -6.971771     -1.489356      0.034476
  C      -2.607004     -4.223451      5.653542
  C      -1.281126     -3.943148      6.049203
  C      -1.012804     -3.132716      7.144794
  C      -2.060417     -2.582038      7.892419
  C      -3.370237     -2.898754      7.564646
  C      -3.676887     -3.739110      6.476063
  C      -5.047609     -4.160008      6.213313
  O      -5.447262     -4.519476      5.043283
  C      -6.040675     -4.312218      7.271701
  F      -7.292950     -4.459006      6.744763
  S      -5.849027     -4.440131      8.894465
  H      -0.662200     -3.438731      0.706536
  H       1.126725     -1.865942      1.146043
  H       0.854455     -0.099862      2.915689
  H      -1.266701      0.036479      4.169407
  H      -7.465408     -7.424523      4.260119
  H      -9.769403     -6.984179      4.978215
  H     -10.859417     -4.792481      4.464168
  H      -9.646410     -3.107487      3.133413
  H      -0.452166     -4.303980      5.442174
  H       0.023360     -2.898151      7.394572
  H      -1.853562     -1.907068      8.723001
  H      -4.189223     -2.478398      8.143419
  N      -4.338127     -4.312580     -0.009252
  N      -4.292165     -4.529922     -1.413093
  H      -3.497118     -4.033535     -1.844337
  H      -4.147621     -5.527706     -1.583791
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.976023268006
  N      -3.059861     -3.563278      1.899015
  C      -3.007043     -4.288724      0.629268
  C      -2.552799     -5.702049      0.960635
  N      -3.360909     -6.200902      2.105729
  C      -4.416343     -7.141745      1.656937
  C      -5.506675     -7.150906      2.700696
  N      -5.894185     -5.760280      2.882585
  Mo     -4.375354     -4.335719      3.251680
  N      -2.866678     -4.916979      4.476325
  C      -1.808622     -5.767746      3.946333
  C      -2.481331     -6.840396      3.119228
  H      -1.235584     -6.239542      4.759424
  H      -1.095191     -5.183820      3.335701
  H      -3.106474     -7.456068      3.779131
  H      -1.751275     -7.497730      2.618855
  H      -6.360224     -7.743307      2.335556
  H      -5.163841     -7.623330      3.641462
  H      -4.825764     -6.743400      0.720743
  H      -3.988034     -8.143139      1.481677
  H      -2.284272     -3.815219     -0.061354
  H      -4.819035     -3.427073      0.165264
  H      -1.491988     -5.681531      1.240044
  H      -2.662595     -6.381207      0.101390
  C      -2.069280     -2.622268      2.157591
  C      -0.836527     -2.661499      1.454149
  C       0.190955     -1.768874      1.707815
  C       0.034023     -0.781653      2.689609
  C      -1.152887     -0.711211      3.394822
  C      -2.226694     -1.603429      3.165374
  C      -3.437886     -1.523227      3.947904
  O      -4.245545     -2.553491      3.990129
  C      -3.897207     -0.398389      4.727457
  F      -5.035529     -0.729274      5.423022
  S      -3.354026      1.145586      4.873600
  C      -7.191800     -5.516808      3.267140
  C      -7.943412     -6.484078      3.976033
  C      -9.238493     -6.226771      4.393856
  C      -9.850751     -4.996919      4.106935
  C      -9.164942     -4.051059      3.363827
  C      -7.845570     -4.282882      2.917902
  C      -7.121073     -3.341986      2.084001
  O      -5.851717     -3.294641      2.107061
  C      -7.749687     -2.461978      1.084867
  F      -9.108110     -2.563332      1.030385
  S      -6.968421     -1.482368      0.039617
  C      -2.605039     -4.227612      5.654042
  C      -1.278812     -3.947114      6.048085
  C      -1.009569     -3.136558      7.143459
  C      -2.056563     -2.586239      7.892142
  C      -3.366723     -2.903124      7.565652
  C      -3.674247     -3.743425      6.477361
  C      -5.045160     -4.164805      6.215253
  O      -5.444521     -4.524002      5.044906
  C      -6.037682     -4.317224      7.273491
  F      -7.290204     -4.464981      6.747104
  S      -5.845992     -4.441395      8.896769
  H      -0.656478     -3.440400      0.716428
  H       1.126073     -1.857451      1.152130
  H       0.842408     -0.084524      2.912972
  H      -1.281058      0.048275      4.162314
  H      -7.469881     -7.423969      4.257069
  H      -9.772411     -6.978900      4.977441
  H     -10.856467     -4.782934      4.468998
  H      -9.640299     -3.099028      3.140350
  H      -0.450221     -4.307889      5.440503
  H       0.026826     -2.901885      7.392175
  H      -1.849057     -1.911415      8.722690
  H      -4.185256     -2.483405      8.145549
  N      -4.332148     -4.310889     -0.010726
  N      -4.282656     -4.531987     -1.413676
  H      -3.480593     -4.045687     -1.843355
  H      -4.149723     -5.531881     -1.581069
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.976029843180
  N      -3.058158     -3.565374      1.900260
  C      -3.003797     -4.290264      0.630237
  C      -2.552456     -5.704451      0.960915
  N      -3.361532     -6.202171      2.106199
  C      -4.417375     -7.142497      1.657053
  C      -5.507938     -7.151438      2.700608
  N      -5.894488     -5.760673      2.883092
  Mo     -4.373907     -4.338171      3.252732
  N      -2.865606     -4.919770      4.477366
  C      -1.808262     -5.770728      3.946511
  C      -2.482233     -6.842751      3.119632
  H      -1.234842     -6.242987      4.759081
  H      -1.095094     -5.187023      3.335316
  H      -3.107811     -7.457817      3.779678
  H      -1.753143     -7.500764      2.618765
  H      -6.361702     -7.743250      2.334982
  H      -5.165675     -7.624504      3.641267
  H      -4.826630     -6.743346      0.721115
  H      -3.989646     -8.144051      1.481465
  H      -2.280091     -3.816699     -0.059244
  H      -4.812537     -3.424749      0.162986
  H      -1.491406     -5.687611      1.239613
  H      -2.665210     -6.382888      0.101505
  C      -2.069609     -2.621997      2.158381
  C      -0.835671     -2.660384      1.456855
  C       0.189287     -1.764629      1.709209
  C       0.028634     -0.774904      2.687991
  C      -1.159101     -0.705713      3.391848
  C      -2.230330     -1.601392      3.163710
  C      -3.441802     -1.522924      3.945960
  O      -4.245979     -2.555727      3.990988
  C      -3.904316     -0.397465      4.722782
  F      -5.040491     -0.730377      5.420772
  S      -3.367372      1.149331      4.861501
  C      -7.191711     -5.515859      3.267364
  C      -7.945209     -6.482931      3.974718
  C      -9.239925     -6.224094      4.392479
  C      -9.850230     -4.992839      4.106916
  C      -9.162816     -4.047288      3.365056
  C      -7.843641     -4.280519      2.919251
  C      -7.118438     -3.340883      2.084861
  O      -5.849206     -3.296011      2.105174
  C      -7.747591     -2.458253      1.087730
  F      -9.106268     -2.557299      1.036182
  S      -6.966857     -1.477849      0.043110
  C      -2.603401     -4.230007      5.654657
  C      -1.277023     -3.949358      6.047980
  C      -1.007404     -3.138447      7.143042
  C      -2.054166     -2.587974      7.891911
  C      -3.364479     -2.905002      7.566023
  C      -3.672394     -3.745728      6.478216
  C      -5.043313     -4.167789      6.216641
  O      -5.442560     -4.527292      5.046281
  C      -6.035447     -4.320561      7.274942
  F      -7.288126     -4.468874      6.748898
  S      -5.843779     -4.442504      8.898511
  H      -0.653317     -3.441537      0.722032
  H       1.125399     -1.852422      1.155082
  H       0.834964     -0.075072      2.910333
  H      -1.289927      0.055322      4.157375
  H      -7.473076     -7.423857      4.254644
  H      -9.775277     -6.976123      4.974880
  H     -10.855718     -4.777717      4.468925
  H      -9.636861     -3.094374      3.142226
  H      -0.448651     -4.310408      5.440246
  H       0.029076     -2.903669      7.391313
  H      -1.846380     -1.912946      8.722233
  H      -4.182782     -2.485316      8.146263
  N      -4.328571     -4.310676     -0.011325
  N      -4.277777     -4.533503     -1.414065
  H      -3.473333     -4.051003     -1.843154
  H      -4.151606     -5.534264     -1.580602
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.976034206034
  N      -3.057272     -3.566638      1.900391
  C      -3.001126     -4.291309      0.630626
  C      -2.552048     -5.706115      0.960964
  N      -3.361867     -6.202991      2.106578
  C      -4.417853     -7.143071      1.656997
  C      -5.508932     -7.151899      2.700030
  N      -5.894605     -5.760905      2.882835
  Mo     -4.372787     -4.340280      3.253088
  N      -2.864545     -4.921840      4.478053
  C      -1.807763     -5.773054      3.946704
  C      -2.482821     -6.844448      3.119907
  H      -1.234298     -6.245839      4.758967
  H      -1.094462     -5.189670      3.335324
  H      -3.109077     -7.458712      3.780079
  H      -1.754705     -7.503288      2.618738
  H      -6.362764     -7.743138      2.333626
  H      -5.167622     -7.625380      3.640831
  H      -4.826871     -6.743403      0.721172
  H      -3.990487     -8.144747      1.481364
  H      -2.277123     -3.817359     -0.058116
  H      -4.808886     -3.424266      0.161441
  H      -1.490985     -5.691784      1.239823
  H      -2.666848     -6.384383      0.101754
  C      -2.070042     -2.621933      2.158736
  C      -0.835006     -2.659808      1.459140
  C       0.188136     -1.761878      1.710809
  C       0.024516     -0.770117      2.687144
  C      -1.164078     -0.701772      3.389624
  C      -2.233331     -1.600007      3.162238
  C      -3.445121     -1.522862      3.944154
  O      -4.246649     -2.557650      3.990926
  C      -3.910358     -0.397241      4.719141
  F      -5.045363     -0.731909      5.418144
  S      -3.377574      1.151301      4.854385
  C      -7.191443     -5.515042      3.267235
  C      -7.946132     -6.481927      3.973665
  C      -9.240105     -6.221599      4.392573
  C      -9.848595     -4.988840      4.109316
  C      -9.160307     -4.043547      3.368004
  C      -7.841942     -4.278404      2.920485
  C      -7.116306     -3.339931      2.085208
  O      -5.847107     -3.297206      2.103043
  C      -7.745087     -2.456464      1.087937
  F      -9.104076     -2.552287      1.038428
  S      -6.963742     -1.476463      0.043615
  C      -2.602269     -4.231588      5.654885
  C      -1.275924     -3.950803      6.048185
  C      -1.006422     -3.139590      7.143075
  C      -2.053286     -2.589009      7.891724
  C      -3.363591     -2.906235      7.565858
  C      -3.671400     -3.747238      6.478289
  C      -5.042121     -4.170253      6.217072
  O      -5.441297     -4.530445      5.046856
  C      -6.033923     -4.323196      7.275575
  F      -7.286563     -4.473288      6.749789
  S      -5.842146     -4.443028      8.899335
  H      -0.650694     -3.442657      0.726546
  H       1.125180     -1.849300      1.158207
  H       0.829307     -0.068318      2.908841
  H      -1.297190      0.060461      4.153582
  H      -7.475129     -7.423843      4.252165
  H      -9.776257     -6.973511      4.974395
  H     -10.853315     -4.772435      4.472675
  H      -9.632985     -3.089568      3.147081
  H      -0.447601     -4.312175      5.440552
  H       0.030016     -2.904733      7.391457
  H      -1.845573     -1.913871      8.721980
  H      -4.181929     -2.486634      8.146138
  N      -4.325990     -4.311059     -0.011834
  N      -4.274642     -4.534363     -1.414633
  H      -3.469818     -4.052894     -1.843607
  H      -4.153090     -5.535410     -1.581832
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca E -7299.976035815092
  N      -3.057398     -3.566678      1.900083
  C      -3.000377     -4.291484      0.630736
  C      -2.551894     -5.706435      0.961054
  N      -3.361891     -6.203145      2.106886
  C      -4.417842     -7.143192      1.657039
  C      -5.509275     -7.152093      2.699703
  N      -5.894567     -5.760947      2.882655
  Mo     -4.372377     -4.341111      3.253157
  N      -2.863793     -4.922385      4.478207
  C      -1.807303     -5.773899      3.946822
  C      -2.482932     -6.844968      3.120064
  H      -1.234003     -6.246977      4.759052
  H      -1.093676     -5.190817      3.335533
  H      -3.109672     -7.458627      3.780370
  H      -1.755377     -7.504385      2.618863
  H      -6.363097     -7.742983      2.332727
  H      -5.168605     -7.625735      3.640649
  H      -4.826715     -6.743438      0.721192
  H      -3.990503     -8.144883      1.481453
  H      -2.276474     -3.817246     -0.057850
  H      -4.809038     -3.425101      0.161215
  H      -1.490958     -5.692420      1.240503
  H      -2.666951     -6.384892      0.102087
  C      -2.070276     -2.622105      2.159044
  C      -0.834809     -2.660094      1.460329
  C       0.187995     -1.761794      1.712092
  C       0.023505     -0.769339      2.687596
  C      -1.165517     -0.701000      3.389417
  C      -2.234268     -1.599821      3.162079
  C      -3.446228     -1.523083      3.943816
  O      -4.247017     -2.558495      3.990749
  C      -3.912413     -0.397709      4.718529
  F      -5.047314     -0.733108      5.417393
  S      -3.380244      1.150998      4.854608
  C      -7.191282     -5.514721      3.267214
  C      -7.946513     -6.481584      3.973075
  C      -9.240354     -6.220773      4.392084
  C      -9.848296     -4.987606      4.109369
  C      -9.159556     -4.042370      3.368397
  C      -7.841273     -4.277664      2.920962
  C      -7.115613     -3.339679      2.085323
  O      -5.846383     -3.297431      2.102239
  C      -7.744706     -2.455824      1.088472
  F      -9.103937     -2.549617      1.041558
  S      -6.963730     -1.477733      0.042125
  C      -2.601553     -4.231742      5.654684
  C      -1.275258     -3.950822      6.048066
  C      -1.005908     -3.139102      7.142609
  C      -2.052887     -2.588090      7.890796
  C      -3.363161     -2.905538      7.564951
  C      -3.670818     -3.747189      6.477856
  C      -5.041358     -4.171020      6.217073
  O      -5.440731     -4.532007      5.047143
  C      -6.032788     -4.324190      7.275974
  F      -7.285444     -4.475373      6.750489
  S      -5.840657     -4.443440      8.899717
  H      -0.649834     -3.443351      0.728308
  H       1.125446     -1.849396      1.160206
  H       0.827950     -0.067120      2.909193
  H      -1.299408      0.061626      4.152848
  H      -7.476040     -7.423909      4.251076
  H      -9.776911     -6.972727      4.973481
  H     -10.852931     -4.770910      4.472781
  H      -9.631882     -3.088162      3.147561
  H      -0.446991     -4.312551      5.440551
  H       0.030475     -2.904105      7.391084
  H      -1.845268     -1.912519      8.720721
  H      -4.181550     -2.485588      8.144901
  N      -4.325516     -4.311574     -0.011725
  N      -4.274395     -4.534557     -1.414619
  H      -3.470594     -4.051945     -1.843992
  H      -4.153151     -5.535393     -1.582923
