78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8049.637882967030
  N      -3.594161     -3.548018      2.184704
  C      -2.662025     -4.037044      1.192712
  C      -2.225917     -5.416228      1.688635
  N      -3.312822     -5.963942      2.527458
  C      -4.440036     -6.412753      1.660472
  C      -5.738378     -6.458520      2.471561
  N      -5.718934     -5.276486      3.303440
  Mo     -4.118449     -4.342829      3.851789
  N      -3.342927     -5.655610      5.001446
  C      -2.297167     -6.590247      4.637344
  C      -2.795141     -7.125182      3.296600
  H      -2.203913     -7.398355      5.368517
  H      -1.324639     -6.087850      4.540148
  H      -3.612198     -7.828083      3.482088
  H      -2.007084     -7.637368      2.738772
  H      -6.597818     -6.463364      1.793075
  H      -5.798454     -7.355853      3.105493
  H      -4.566855     -5.706097      0.834866
  H      -4.207685     -7.394392      1.238493
  H      -1.790657     -3.383203      1.083774
  H      -3.158860     -4.081154      0.213602
  H      -1.329119     -5.325182      2.309416
  H      -2.013533     -6.087030      0.850295
  C      -4.036891     -2.235779      2.125898
  C      -3.180080     -1.135310      1.922808
  C      -3.659737      0.154722      2.025339
  C      -4.976190      0.373640      2.406800
  F      -5.403197      1.632676      2.577898
  C      -5.863246     -0.688432      2.579942
  C      -7.229888     -0.546206      3.130148
  O      -8.095012     -1.375228      2.969417
  C      -7.439375      0.653812      4.057075
  O      -8.372134      1.413854      3.946957
  C      -6.372017      0.792328      5.098019
  O      -5.387425      0.073740      5.198621
  Cl     -6.555853      2.215527      6.057960
  C      -5.399515     -1.984170      2.340625
  C      -6.843474     -4.786211      3.920868
  C      -8.144555     -5.302275      3.980133
  C      -9.092820     -4.643213      4.744772
  C      -8.775990     -3.499940      5.464375
  F      -9.711207     -2.936047      6.245032
  C      -7.488612     -2.949821      5.428658
  C      -7.053243     -1.718404      6.125337
  O      -7.739820     -0.687287      6.152091
  C      -5.663150     -1.733355      6.634603
  O      -4.836879     -2.631775      6.386493
  C      -5.257461     -0.588262      7.486296
  O      -5.911330      0.234816      8.047798
  Cl     -3.516686     -0.571574      7.660303
  C      -6.576114     -3.606739      4.627909
  C      -3.708417     -5.507241      6.329621
  C      -2.755795     -5.332469      7.352518
  C      -3.155560     -5.099188      8.651805
  C      -4.507463     -5.025275      8.952298
  F      -4.882106     -4.756363     10.212315
  C      -5.478530     -5.253127      7.976737
  C      -6.923791     -5.171253      8.231759
  O      -7.764802     -5.406328      7.394736
  C      -7.340028     -4.630268      9.603395
  O      -7.770802     -5.261992     10.520675
  C      -7.194082     -3.106140      9.586917
  O      -6.324479     -2.527383      8.995150
  Cl     -8.460654     -2.292020     10.417106
  C      -5.061147     -5.525560      6.670547
  H      -2.138295     -1.286271      1.681588
  H      -3.017023      1.004268      1.856849
  H      -6.141752     -2.775946      2.286915
  H      -8.419868     -6.202280      3.454632
  H     -10.100665     -5.020772      4.811971
  H      -5.566861     -3.160153      4.510997
  H      -1.700757     -5.378852      7.125628
  H      -2.434725     -4.951674      9.440350
  H      -5.828895     -5.800037      5.955779
  N      -4.779683     -2.751554      5.103792
  N      -5.167586     -1.818055      5.838262
  H      -4.521534     -1.333870      6.461762
  H      -6.141246     -1.513842      5.835067
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8049.942254231186
  N      -3.584059     -3.559901      2.181212
  C      -2.653883     -4.053174      1.188298
  C      -2.223463     -5.435119      1.680850
  N      -3.312295     -5.980843      2.519880
  C      -4.443358     -6.423452      1.652918
  C      -5.741224     -6.465234      2.465049
  N      -5.718652     -5.284532      3.299963
  Mo     -4.110205     -4.358046      3.848756
  N      -3.337652     -5.678946      4.997665
  C      -2.296297     -6.616900      4.628108
  C      -2.798503     -7.146556      3.286698
  H      -2.205188     -7.427520      5.357661
  H      -1.321191     -6.118581      4.529997
  H      -3.618565     -7.846560      3.471625
  H      -2.012956     -7.661011      2.725892
  H      -6.601548     -6.465311      1.786618
  H      -5.803979     -7.364527      3.097032
  H      -4.567788     -5.714256      0.828853
  H      -4.215120     -7.405868      1.228361
  H      -1.778942     -3.402871      1.080015
  H      -3.151528     -4.093761      0.208838
  H      -1.325648     -5.349240      2.301534
  H      -2.014303     -6.105610      0.840532
  C      -4.020844     -2.242595      2.122681
  C      -3.158027     -1.145327      1.920953
  C      -3.628941      0.150600      2.017642
  C      -4.946248      0.384104      2.388792
  F      -5.362301      1.649753      2.547301
  C      -5.844828     -0.668644      2.562884
  C      -7.222514     -0.507544      3.095290
  O      -8.082024     -1.343087      2.921182
  C      -7.489380      0.709422      3.999110
  O      -8.440184      1.437804      3.818976
  C      -6.495859      0.933688      5.099716
  O      -5.485524      0.271705      5.306767
  Cl     -6.810045      2.387901      5.980952
  C      -5.385356     -1.974271      2.332472
  C      -6.843794     -4.790656      3.920269
  C      -8.147093     -5.303020      3.980109
  C      -9.095842     -4.642115      4.748176
  C      -8.780312     -3.499776      5.472013
  F      -9.719150     -2.937640      6.252107
  C      -7.492814     -2.948003      5.440873
  C      -7.064432     -1.704147      6.146736
  O      -7.755286     -0.663112      6.169223
  C      -5.661001     -1.721928      6.679499
  O      -4.801486     -2.660328      6.426548
  C      -5.259990     -0.569857      7.536026
  O      -5.916642      0.255152      8.093838
  Cl     -3.513500     -0.560759      7.714956
  C      -6.575009     -3.613778      4.629748
  C      -3.700544     -5.531791      6.327413
  C      -2.743457     -5.361801      7.348399
  C      -3.136779     -5.128917      8.650962
  C      -4.487233     -5.051015      8.957118
  F      -4.853914     -4.782745     10.220993
  C      -5.464395     -5.274189      7.984912
  C      -6.909908     -5.188018      8.246931
  O      -7.756419     -5.421111      7.411581
  C      -7.326483     -4.647101      9.620202
  O      -7.758876     -5.283783     10.537676
  C      -7.181824     -3.121377      9.610354
  O      -6.310241     -2.538857      9.020553
  Cl     -8.450778     -2.310083     10.445897
  C      -5.052972     -5.546168      6.674590
  H      -2.115505     -1.303468      1.682516
  H      -2.977508      0.994856      1.847931
  H      -6.134120     -2.759961      2.275761
  H      -8.425778     -6.202654      3.452446
  H     -10.105298     -5.019291      4.813793
  H      -5.553772     -3.172573      4.509748
  H      -1.688430     -5.411488      7.116845
  H      -2.411185     -4.984982      9.437544
  H      -5.824628     -5.816665      5.961866
  N      -4.750554     -2.769343      5.104415
  N      -5.141240     -1.814082      5.846658
  H      -4.481759     -1.315523      6.491381
  H      -6.146849     -1.496944      5.846367
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8050.182250483853
  N      -3.581344     -3.561831      2.165398
  C      -2.650082     -4.059437      1.174790
  C      -2.220301     -5.440426      1.671639
  N      -3.309985     -5.985427      2.512253
  C      -4.441729     -6.430622      1.645588
  C      -5.739998     -6.470852      2.457155
  N      -5.721286     -5.287798      3.290149
  Mo     -4.109424     -4.358587      3.838044
  N      -3.334982     -5.679688      4.993206
  C      -2.293217     -6.617488      4.623186
  C      -2.795736     -7.149934      3.282699
  H      -2.201415     -7.427152      5.354694
  H      -1.317634     -6.119242      4.523171
  H      -3.615848     -7.849990      3.469114
  H      -2.009650     -7.665464      2.721964
  H      -6.600210     -6.472979      1.777416
  H      -5.802220     -7.369808      3.090880
  H      -4.565702     -5.722924      0.819856
  H      -4.212534     -7.414647      1.222943
  H      -1.773870     -3.409764      1.065541
  H      -3.146977     -4.102589      0.194392
  H      -1.322724     -5.353045      2.293156
  H      -2.010389     -6.113695      0.832726
  C      -4.019318     -2.244303      2.106917
  C      -3.155104     -1.147882      1.904833
  C      -3.624903      0.149288      2.007015
  C      -4.940701      0.379736      2.386385
  F      -5.356196      1.645767      2.554747
  C      -5.838830     -0.674847      2.560007
  C      -7.211198     -0.520069      3.106858
  O      -8.076277     -1.353723      2.934344
  C      -7.459378      0.683731      4.032549
  O      -8.412334      1.420236      3.879478
  C      -6.440524      0.878424      5.118690
  O      -5.427474      0.202388      5.288337
  Cl     -6.722100      2.318059      6.040341
  C      -5.382526     -1.978913      2.320888
  C      -6.850568     -4.792963      3.909406
  C      -8.153571     -5.308333      3.969949
  C      -9.107661     -4.647525      4.736607
  C      -8.800835     -3.501353      5.459957
  F      -9.748165     -2.942998      6.235247
  C      -7.516529     -2.940706      5.433570
  C      -7.107206     -1.678590      6.145881
  O      -7.812519     -0.633983      6.158812
  C      -5.690709     -1.687580      6.707202
  O      -4.789224     -2.661702      6.455176
  C      -5.306750     -0.522539      7.568625
  O      -5.975511      0.299325      8.118374
  Cl     -3.554187     -0.505659      7.759347
  C      -6.588216     -3.614189      4.616788
  C      -3.697993     -5.529595      6.323809
  C      -2.738347     -5.355429      7.343295
  C      -3.127303     -5.119431      8.647936
  C      -4.476902     -5.042951      8.958210
  F      -4.838022     -4.771962     10.224658
  C      -5.458222     -5.270078      7.989581
  C      -6.904451     -5.185458      8.257856
  O      -7.755071     -5.423809      7.424711
  C      -7.326168     -4.642105      9.630618
  O      -7.757993     -5.284198     10.548937
  C      -7.191758     -3.113887      9.625714
  O      -6.320661     -2.523517      9.039113
  Cl     -8.469282     -2.311682     10.463973
  C      -5.050433     -5.545022      6.676311
  H      -2.112009     -1.307226      1.664060
  H      -2.973063      0.995220      1.838413
  H      -6.130841     -2.765642      2.267244
  H      -8.430014     -6.211548      3.443609
  H     -10.116878     -5.029602      4.800538
  H      -5.556740     -3.172804      4.493876
  H      -1.682805     -5.404369      7.108178
  H      -2.398219     -4.972327      9.432598
  H      -5.824110     -5.818189      5.966060
  N      -4.740203     -2.766771      5.091384
  N      -5.142807     -1.786726      5.838408
  H      -4.475638     -1.267077      6.503968
  H      -6.183517     -1.462868      5.836694
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8050.375178443905
  N      -3.568124     -3.572752      2.162443
  C      -2.639073     -4.076056      1.171326
  C      -2.217652     -5.461132      1.664004
  N      -3.310487     -6.003615      2.504162
  C      -4.446840     -6.440041      1.636738
  C      -5.744938     -6.474844      2.448463
  N      -5.722154     -5.293848      3.285649
  Mo     -4.100031     -4.374608      3.835720
  N      -3.330238     -5.707156      4.990068
  C      -2.294498     -6.649226      4.613171
  C      -2.802078     -7.174192      3.271528
  H      -2.206067     -7.462323      5.342316
  H      -1.315440     -6.156625      4.512523
  H      -3.626388     -7.870206      3.456539
  H      -2.019247     -7.692644      2.707179
  H      -6.605703     -6.470233      1.768189
  H      -5.811521     -7.376461      3.079245
  H      -4.566761     -5.728695      0.813220
  H      -4.223047     -7.424870      1.210626
  H      -1.757897     -3.431510      1.063676
  H      -3.136268     -4.114177      0.190166
  H      -1.319255     -5.380986      2.286035
  H      -2.011683     -6.133810      0.822584
  C      -3.998967     -2.249003      2.106541
  C      -3.126916     -1.157206      1.908698
  C      -3.587714      0.146315      2.007101
  C      -4.905728      0.391744      2.373911
  F      -5.310227      1.664494      2.529567
  C      -5.816811     -0.652867      2.545056
  C      -7.204316     -0.482016      3.066551
  O      -8.058921     -1.324764      2.872954
  C      -7.528862      0.736842      3.963911
  O      -8.498866      1.431011      3.725800
  C      -6.608453      1.027514      5.118219
  O      -5.577263      0.422084      5.412530
  Cl     -7.042574      2.490788      5.944715
  C      -5.363805     -1.965714      2.314624
  C      -6.851799     -4.793955      3.907882
  C      -8.157814     -5.304084      3.967927
  C      -9.110401     -4.640014      4.738405
  C      -8.800941     -3.495997      5.466514
  F      -9.750394     -2.937547      6.242130
  C      -7.515371     -2.937230      5.444389
  C      -7.109340     -1.665164      6.166035
  O      -7.817598     -0.610500      6.175180
  C      -5.678591     -1.679263      6.750797
  O      -4.745473     -2.693760      6.495500
  C      -5.299701     -0.509944      7.614621
  O      -5.972097      0.312084      8.159221
  Cl     -3.539569     -0.499181      7.812283
  C      -6.586516     -3.619057      4.618508
  C      -3.690647     -5.558628      6.322389
  C      -2.725792     -5.391352      7.339680
  C      -3.106708     -5.155533      8.647887
  C      -4.454475     -5.072359      8.963990
  F      -4.806821     -4.801268     10.234560
  C      -5.442599     -5.292327      7.999344
  C      -6.887917     -5.198924      8.276847
  O      -7.746466     -5.432730      7.447468
  C      -7.307723     -4.654054      9.651581
  O      -7.741984     -5.301125     10.568657
  C      -7.172007     -3.123760      9.657574
  O      -6.298528     -2.529367      9.075634
  Cl     -8.450800     -2.324950     10.504590
  C      -5.042546     -5.567742      6.681553
  H      -2.082871     -1.324491      1.671729
  H      -2.926398      0.986917      1.839631
  H      -6.118623     -2.746131      2.255070
  H      -8.439470     -6.206220      3.438706
  H     -10.122307     -5.019333      4.800973
  H      -5.540736     -3.185033      4.492948
  H      -1.670412     -5.445334      7.099049
  H      -2.372083     -5.013603      9.430293
  H      -5.821045     -5.834674      5.973403
  N      -4.703881     -2.786301      5.093245
  N      -5.106420     -1.786824      5.846556
  H      -4.427181     -1.255959      6.530646
  H      -6.178364     -1.447844      5.846903
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8050.534247613135
  N      -3.567313     -3.575095      2.146941
  C      -2.636496     -4.082450      1.158657
  C      -2.214651     -5.465962      1.655427
  N      -3.307841     -6.009315      2.496995
  C      -4.444559     -6.449498      1.629734
  C      -5.742992     -6.484235      2.440631
  N      -5.726344     -5.300926      3.276007
  Mo     -4.100753     -4.376877      3.825688
  N      -3.327472     -5.709602      4.987593
  C      -2.290330     -6.650076      4.609015
  C      -2.797670     -7.178186      3.268206
  H      -2.200130     -7.462366      5.339946
  H      -1.311226     -6.156565      4.506244
  H      -3.621322     -7.875171      3.454578
  H      -2.013764     -7.696731      2.703571
  H      -6.603532     -6.482673      1.758719
  H      -5.808012     -7.385912      3.072872
  H      -4.564467     -5.739524      0.804671
  H      -4.218545     -7.435695      1.205380
  H      -1.754444     -3.437772      1.050287
  H      -3.132605     -4.123764      0.176323
  H      -1.316723     -5.383493      2.278606
  H      -2.007025     -6.141309      0.815440
  C      -3.999636     -2.250775      2.089405
  C      -3.126694     -1.159077      1.889664
  C      -3.583563      0.146383      1.991055
  C      -4.898372      0.391389      2.366389
  F      -5.300143      1.665415      2.530990
  C      -5.810058     -0.652534      2.540518
  C      -7.188705     -0.476863      3.081371
  O      -8.053380     -1.313913      2.897423
  C      -7.487967      0.736735      3.996060
  O      -8.461595      1.435696      3.779371
  C      -6.541143      1.016118      5.135411
  O      -5.502489      0.408456      5.400499
  Cl     -6.952638      2.477135      5.985585
  C      -5.363401     -1.967534      2.302185
  C      -6.861585     -4.801994      3.896712
  C      -8.166196     -5.318194      3.957010
  C      -9.124179     -4.655908      4.725767
  C      -8.822847     -3.508048      5.452598
  F      -9.780612     -2.954049      6.224191
  C      -7.541068     -2.940047      5.433742
  C      -7.156700     -1.652168      6.160898
  O      -7.883633     -0.599804      6.160888
  C      -5.710989     -1.653221      6.774902
  O      -4.732678     -2.699215      6.522525
  C      -5.354242     -0.473726      7.641546
  O      -6.041294      0.340578      8.178055
  Cl     -3.586266     -0.448619      7.851466
  C      -6.605085     -3.625462      4.605103
  C      -3.688033     -5.558781      6.321022
  C      -2.720294     -5.386166      7.336310
  C      -3.095746     -5.147492      8.646747
  C      -4.442531     -5.066977      8.967385
  F      -4.789091     -4.793138     10.240645
  C      -5.434912     -5.291730      8.007157
  C      -6.880158     -5.200131      8.292828
  O      -7.743836     -5.439717      7.467818
  C      -7.305421     -4.652957      9.667184
  O      -7.737892     -5.306747     10.583018
  C      -7.182711     -3.119581      9.682377
  O      -6.311253     -2.514638      9.106983
  Cl     -8.471810     -2.334778     10.535055
  C      -5.039481     -5.570174      6.686346
  H      -2.082227     -1.328722      1.650050
  H      -2.920253      0.987176      1.822787
  H      -6.119473     -2.747625      2.248437
  H      -8.444239     -6.224600      3.429193
  H     -10.135549     -5.041135      4.787487
  H      -5.547554     -3.189643      4.476766
  H      -1.664456     -5.438300      7.091174
  H      -2.357162     -5.001539      9.426737
  H      -5.820242     -5.840145      5.980962
  N      -4.693244     -2.786498      5.081089
  N      -5.109056     -1.766059      5.836129
  H      -4.425083     -1.213930      6.538387
  H      -6.218139     -1.422880      5.833110
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8050.662549273180
  N      -3.557101     -3.576551      2.137325
  C      -2.626567     -4.091051      1.151423
  C      -2.211789     -5.476914      1.648299
  N      -3.308392     -6.018186      2.489430
  C      -4.448143     -6.453098      1.620872
  C      -5.747418     -6.482624      2.430052
  N      -5.730878     -5.299656      3.267195
  Mo     -4.095815     -4.381753      3.819665
  N      -3.326204     -5.722876      4.986342
  C      -2.293204     -6.666225      4.602575
  C      -2.803159     -7.190488      3.261183
  H      -2.205642     -7.480411      5.332842
  H      -1.311223     -6.177151      4.498884
  H      -3.630151     -7.884313      3.446613
  H      -2.021109     -7.711764      2.694601
  H      -6.607403     -6.477191      1.746071
  H      -5.816257     -7.386044      3.060824
  H      -4.563523     -5.741116      0.796526
  H      -4.225271     -7.440599      1.195290
  H      -1.740142     -3.450678      1.044318
  H      -3.121343     -4.130583      0.167574
  H      -1.314137     -5.398948      2.273242
  H      -2.005858     -6.153507      0.807776
  C      -3.985347     -2.248285      2.081578
  C      -3.106538     -1.160679      1.886783
  C      -3.560687      0.148052      1.991659
  C      -4.878480      0.396184      2.362089
  F      -5.277681      1.672718      2.526135
  C      -5.795905     -0.645364      2.528886
  C      -7.184203     -0.476589      3.055340
  O      -8.040731     -1.319021      2.851438
  C      -7.524426      0.728927      3.969975
  O      -8.505053      1.410290      3.725649
  C      -6.616948      1.021457      5.139226
  O      -5.576597      0.429715      5.432214
  Cl     -7.078187      2.474020      5.987157
  C      -5.348596     -1.959198      2.290774
  C      -6.869461     -4.796345      3.888125
  C      -8.175794     -5.310616      3.947020
  C      -9.133262     -4.644958      4.716796
  C      -8.830127     -3.497360      5.445755
  F      -9.791470     -2.943184      6.215954
  C      -7.547817     -2.929903      5.430461
  C      -7.171790     -1.631665      6.165997
  O      -7.906297     -0.576932      6.160522
  C      -5.710130     -1.632123      6.807605
  O      -4.694171     -2.715730      6.555713
  C      -5.366377     -0.449650      7.677764
  O      -6.062397      0.359293      8.208482
  Cl     -3.588881     -0.422890      7.898786
  C      -6.614063     -3.621613      4.597684
  C      -3.685374     -5.571931      6.321348
  C      -2.713175     -5.402268      7.334387
  C      -3.080585     -5.161906      8.647758
  C      -4.425754     -5.076606      8.973404
  F      -4.764742     -4.800714     10.249980
  C      -5.423925     -5.297577      8.017677
  C      -6.867533     -5.198240      8.313208
  O      -7.739255     -5.435876      7.494077
  C      -7.293500     -4.648358      9.688414
  O      -7.727665     -5.308097     10.600698
  C      -7.174181     -3.112369      9.718161
  O      -6.301621     -2.500590      9.152179
  Cl     -8.468390     -2.337022     10.580660
  C      -5.035923     -5.578539      6.693313
  H      -2.060671     -1.334438      1.650079
  H      -2.893221      0.988383      1.828162
  H      -6.105808     -2.738289      2.232424
  H      -8.456974     -6.217846      3.418251
  H     -10.146930     -5.028585      4.777678
  H      -5.541224     -3.191781      4.467167
  H      -1.657413     -5.457963      7.083685
  H      -2.336757     -5.018216      9.425199
  H      -5.820947     -5.844478      5.990182
  N      -4.660634     -2.792041      5.076547
  N      -5.079949     -1.751894      5.834470
  H      -4.386920     -1.186809      6.553197
  H      -6.224002     -1.396124      5.829248
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8050.765790089045
  N      -3.555058     -3.578104      2.125604
  C      -2.623056     -4.097358      1.142910
  C      -2.209747     -5.482995      1.641936
  N      -3.307170     -6.026012      2.483447
  C      -4.447989     -6.462028      1.614618
  C      -5.747582     -6.491186      2.422449
  N      -5.736915     -5.307338      3.259316
  Mo     -4.096229     -4.387090      3.813096
  N      -3.323929     -5.731760      4.986754
  C      -2.290788     -6.673464      4.598408
  C      -2.801277     -7.198108      3.257377
  H      -2.201854     -7.488222      5.328936
  H      -1.308222     -6.184515      4.492920
  H      -3.628390     -7.892242      3.443002
  H      -2.018954     -7.719234      2.689273
  H      -6.607019     -6.486969      1.736447
  H      -5.815993     -7.395750      3.052982
  H      -4.562121     -5.749708      0.790035
  H      -4.223746     -7.450324      1.189202
  H      -1.734728     -3.458060      1.036279
  H      -3.116193     -4.138394      0.157560
  H      -1.312792     -5.404751      2.268581
  H      -2.002594     -6.161265      0.802034
  C      -3.983262     -2.247578      2.069402
  C      -3.101760     -1.161328      1.874648
  C      -3.549256      0.150172      1.981547
  C      -4.864188      0.401417      2.356360
  F      -5.258517      1.680160      2.525857
  C      -5.785009     -0.636380      2.525751
  C      -7.167998     -0.456213      3.063301
  O      -8.032123     -1.293647      2.866338
  C      -7.502805      0.754475      3.979425
  O      -8.488026      1.427082      3.729121
  C      -6.596282      1.068593      5.149026
  O      -5.546000      0.496573      5.447818
  Cl     -7.073045      2.530566      5.981545
  C      -5.345451     -1.954263      2.282372
  C      -6.881535     -4.805275      3.878641
  C      -8.186314     -5.326023      3.936543
  C      -9.147470     -4.662330      4.704989
  C      -8.848560     -3.512296      5.432696
  F      -9.816372     -2.961212      6.200077
  C      -7.568701     -2.939241      5.418696
  C      -7.210653     -1.630743      6.157028
  O      -7.962432     -0.583384      6.142791
  C      -5.733015     -1.617755      6.827166
  O      -4.670793     -2.730988      6.581971
  C      -5.412883     -0.430303      7.694385
  O      -6.123691      0.369216      8.216214
  Cl     -3.625690     -0.386779      7.927364
  C      -6.634111     -3.630252      4.587096
  C      -3.682216     -5.580790      6.323434
  C      -2.706277     -5.408440      7.333727
  C      -3.066476     -5.166359      8.649553
  C      -4.410498     -5.081678      8.979762
  F      -4.743702     -4.803370     10.258962
  C      -5.413138     -5.304306      8.028819
  C      -6.854889     -5.202265      8.334065
  O      -7.734103     -5.442273      7.522124
  C      -7.283415     -4.649438      9.709178
  O      -7.716642     -5.315397     10.617986
  C      -7.173271     -3.110312      9.752485
  O      -6.302008     -2.489316      9.196569
  Cl     -8.475496     -2.349246     10.624666
  C      -5.031480     -5.587989      6.701844
  H      -2.055685     -1.339351      1.636513
  H      -2.877677      0.988892      1.817897
  H      -6.105456     -2.731471      2.228554
  H      -8.464504     -6.236697      3.408477
  H     -10.161019     -5.050207      4.765685
  H      -5.547860     -3.201221      4.454204
  H      -1.650538     -5.463277      7.077307
  H      -2.318174     -5.020630      9.424129
  H      -5.819531     -5.853827      6.001102
  N      -4.641054     -2.799080      5.068080
  N      -5.071850     -1.742164      5.822902
  H      -4.375780     -1.158377      6.554982
  H      -6.254191     -1.382143      5.811705
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8050.849252218643
  N      -3.546037     -3.575998      2.117870
  C      -2.614162     -4.102773      1.138435
  C      -2.208059     -5.490582      1.637354
  N      -3.308721     -6.032283      2.477838
  C      -4.452477     -6.462620      1.607766
  C      -5.753028     -6.486587      2.413586
  N      -5.743331     -5.303418      3.252148
  Mo     -4.092515     -4.389853      3.809092
  N      -3.324083     -5.743089      4.988894
  C      -2.295100     -6.687037      4.593949
  C      -2.807813     -7.207516      3.252323
  H      -2.208506     -7.503972      5.323298
  H      -1.309761     -6.202579      4.487583
  H      -3.638261     -7.898460      3.436601
  H      -2.027479     -7.730998      2.682073
  H      -6.611473     -6.478488      1.725161
  H      -5.825560     -7.393073      3.042132
  H      -4.561517     -5.747860      0.784274
  H      -4.231263     -7.451866      1.180840
  H      -1.721500     -3.467924      1.033345
  H      -3.105347     -4.142377      0.151385
  H      -1.311774     -5.416979      2.266176
  H      -2.002164     -6.169896      0.797070
  C      -3.969862     -2.241731      2.062359
  C      -3.082682     -1.159593      1.873195
  C      -3.527742      0.154544      1.984112
  C      -4.845854      0.408139      2.352840
  F      -5.238724      1.688798      2.522067
  C      -5.772150     -0.627220      2.512976
  C      -7.164874     -0.454267      3.033023
  O      -8.021351     -1.294676      2.814710
  C      -7.538902      0.746826      3.948574
  O      -8.526726      1.404494      3.672372
  C      -6.670363      1.065463      5.146197
  O      -5.624584      0.503012      5.465564
  Cl     -7.189481      2.515149      5.983886
  C      -5.331243     -1.943154      2.270506
  C      -6.892192     -4.797517      3.870879
  C      -8.198007     -5.317551      3.926812
  C      -9.158198     -4.650699      4.695845
  C      -8.855732     -3.501195      5.424760
  F      -9.825980     -2.949276      6.191259
  C      -7.574304     -2.930557      5.412133
  C      -7.222362     -1.616958      6.156021
  O      -7.981187     -0.573328      6.137790
  C      -5.728620     -1.602782      6.852553
  O      -4.626996     -2.751097      6.610246
  C      -5.423532     -0.417209      7.720459
  O      -6.143290      0.375336      8.238190
  Cl     -3.625353     -0.370004      7.963397
  C      -6.646310     -3.623960      4.580589
  C      -3.680196     -5.593333      6.327409
  C      -2.699812     -5.424506      7.335036
  C      -3.051676     -5.181543      8.653590
  C      -4.394314     -5.092048      8.988304
  F      -4.720937     -4.812204     10.270276
  C      -5.402092     -5.309922      8.041667
  C      -6.841168     -5.198939      8.356258
  O      -7.728778     -5.435778      7.551357
  C      -7.270348     -4.644044      9.731878
  O      -7.706096     -5.316022     10.635273
  C      -7.162535     -3.102770      9.792093
  O      -6.289468     -2.475822      9.248624
  Cl     -8.469733     -2.352450     10.675360
  C      -5.027887     -5.595576      6.712148
  H      -2.035242     -1.341493      1.639075
  H      -2.852301      0.992774      1.826489
  H      -6.091816     -2.719879      2.212021
  H      -8.478789     -6.228932      3.398213
  H     -10.173799     -5.036542      4.756472
  H      -5.545423     -3.203225      4.445548
  H      -1.644556     -5.482691      7.072698
  H      -2.298445     -5.038569      9.425432
  H      -5.820021     -5.856059      6.013075
  N      -4.604462     -2.805710      5.063935
  N      -5.038086     -1.732317      5.817796
  H      -4.334424     -1.138270      6.561397
  H      -6.256282     -1.360236      5.802113
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8050.917021011944
  N      -3.546568     -3.574651      2.108727
  C      -2.612980     -4.105882      1.133060
  C      -2.207477     -5.493102      1.633878
  N      -3.308181     -6.037937      2.474290
  C      -4.452659     -6.469818      1.604350
  C      -5.753380     -6.494248      2.408882
  N      -5.750738     -5.310441      3.246842
  Mo     -4.094640     -4.393968      3.804971
  N      -3.322636     -5.750004      4.992724
  C      -2.292921     -6.691013      4.591932
  C      -2.805676     -7.212125      3.250873
  H      -2.203927     -7.508679      5.321023
  H      -1.307483     -6.206020      4.483733
  H      -3.635746     -7.903884      3.435160
  H      -2.024967     -7.734649      2.678926
  H      -6.610960     -6.488048      1.718297
  H      -5.825116     -7.401970      3.036809
  H      -4.560607     -5.754437      0.780961
  H      -4.229482     -7.459355      1.177353
  H      -1.718863     -3.471754      1.028535
  H      -3.102047     -4.147548      0.144450
  H      -1.312217     -5.418746      2.264618
  H      -1.999589     -6.173756      0.794397
  C      -3.970428     -2.238510      2.051559
  C      -3.080978     -1.157593      1.861880
  C      -3.519013      0.158768      1.974792
  C      -4.833652      0.415338      2.348834
  F      -5.221707      1.697770      2.524403
  C      -5.762946     -0.615929      2.512891
  C      -7.148330     -0.429152      3.046473
  O      -8.015015     -1.262292      2.839627
  C      -7.510870      0.780693      3.961115
  O      -8.501874      1.431025      3.682851
  C      -6.635429      1.120881      5.152813
  O      -5.580791      0.576625      5.468726
  Cl     -7.161044      2.582125      5.975457
  C      -5.330435     -1.935812      2.264714
  C      -6.906520     -4.807578      3.862711
  C      -8.209404     -5.336474      3.917179
  C      -9.174156     -4.672878      4.684102
  C      -8.876189     -3.520637      5.410406
  F      -9.852273     -2.971827      6.173988
  C      -7.596639     -2.944785      5.396774
  C      -7.261289     -1.626330      6.138421
  O      -8.036967     -0.596770      6.112154
  C      -5.752552     -1.595955      6.861211
  O      -4.601507     -2.769373      6.629968
  C      -5.473331     -0.409276      7.721376
  O      -6.207406      0.373249      8.231474
  Cl     -3.664378     -0.341587      7.973685
  C      -6.669873     -3.632860      4.571136
  C      -3.676839     -5.601971      6.333167
  C      -2.692926     -5.430481      7.337637
  C      -3.037992     -5.186699      8.658303
  C      -4.379906     -5.098340      8.996847
  F      -4.702202     -4.816563     10.280668
  C      -5.391231     -5.317543      8.054460
  C      -6.827735     -5.203227      8.377134
  O      -7.722560     -5.442050      7.579891
  C      -7.259575     -4.645438      9.751747
  O      -7.695251     -5.322740     10.651103
  C      -7.159721     -3.101675      9.824737
  O      -6.287094     -2.467168      9.292555
  Cl     -8.474372     -2.365208     10.717471
  C      -5.022693     -5.605366      6.723598
  H      -2.033799     -1.343689      1.626084
  H      -2.839757      0.994964      1.816693
  H      -6.093612     -2.710927      2.212838
  H      -8.485250     -6.251468      3.389884
  H     -10.188771     -5.063861      4.745058
  H      -5.557776     -3.214761      4.433815
  H      -1.638083     -5.486920      7.069523
  H      -2.280979     -5.041680      9.427247
  H      -5.817303     -5.864759      6.026081
  N      -4.583448     -2.815141      5.055281
  N      -5.029717     -1.728080      5.800887
  H      -4.325742     -1.117114      6.551555
  H      -6.287025     -1.354263      5.776270
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8050.972828639416
  N      -3.539469     -3.568391      2.104928
  C      -2.606219     -4.106751      1.132611
  C      -2.207744     -5.496222      1.632345
  N      -3.311066     -6.040761      2.471191
  C      -4.458699     -6.466110      1.600606
  C      -5.760151     -6.485534      2.403756
  N      -5.758296     -5.302914      3.243631
  Mo     -4.091804     -4.394536      3.804323
  N      -3.323703     -5.758922      4.998392
  C      -2.298277     -6.701474      4.589271
  C      -2.813277     -7.217819      3.247641
  H      -2.211012     -7.521853      5.316249
  H      -1.310282     -6.220927      4.480278
  H      -3.646628     -7.906358      3.430271
  H      -2.034916     -7.742257      2.673144
  H      -6.616608     -6.475224      1.710920
  H      -5.836200     -7.395418      3.028943
  H      -4.561450     -5.747603      0.779015
  H      -4.238974     -7.456046      1.171311
  H      -1.708020     -3.477121      1.029679
  H      -3.093067     -4.146964      0.142357
  H      -1.313341     -5.426883      2.265302
  H      -2.000876     -6.177235      0.792257
  C      -3.958559     -2.229209      2.047463
  C      -3.063732     -1.152150      1.864240
  C      -3.499968      0.165896      1.981396
  C      -4.818327      0.423740      2.346663
  F      -5.206822      1.707434      2.520714
  C      -5.752564     -0.605525      2.498763
  C      -7.148782     -0.425926      3.007374
  O      -8.008990     -1.259364      2.776420
  C      -7.548128      0.776019      3.917189
  O      -8.535322      1.418189      3.612851
  C      -6.709006      1.109981      5.137127
  O      -5.666155      0.562988      5.470081
  Cl     -7.266824      2.557526      5.970707
  C      -5.317673     -1.922760      2.253928
  C      -6.918198     -4.797170      3.858288
  C      -8.221291     -5.325945      3.910657
  C      -9.185297     -4.659794      4.678289
  C      -8.883527     -3.508476      5.405361
  F      -9.860571     -2.958668      6.168614
  C      -7.601300     -2.936085      5.391054
  C      -7.268074     -1.618769      6.134133
  O      -8.048925     -0.597486      6.106845
  C      -5.743895     -1.588356      6.879266
  O      -4.552410     -2.794350      6.652587
  C      -5.479048     -0.408000      7.737263
  O      -6.219510      0.368397      8.246560
  Cl     -3.657667     -0.335937      7.995538
  C      -6.682817     -3.623205      4.568445
  C      -3.674213     -5.614363      6.341077
  C      -2.686031     -5.447754      7.342643
  C      -3.023531     -5.204677      8.665844
  C      -4.364457     -5.111420      9.008296
  F      -4.681445     -4.829447     10.294298
  C      -5.380139     -5.324273      8.069353
  C      -6.813579     -5.200350      8.398871
  O      -7.715815     -5.434977      7.607880
  C      -7.246829     -4.641684      9.773259
  O      -7.686643     -5.324432     10.666425
  C      -7.147795     -3.096772      9.862359
  O      -6.272064     -2.458002      9.343864
  Cl     -8.467064     -2.370293     10.765063
  C      -5.018090     -5.612673      6.736991
  H      -2.015222     -1.341577      1.633992
  H      -2.817445      1.001666      1.830799
  H      -6.080558     -2.698120      2.196718
  H      -8.498879     -6.241175      3.383045
  H     -10.201337     -5.048916      4.739625
  H      -5.559637     -3.216882      4.428873
  H      -1.632084     -5.507154      7.068798
  H      -2.262361     -5.063447      9.432243
  H      -5.816210     -5.864763      6.040050
  N      -4.543271     -2.824379      5.052604
  N      -4.991536     -1.723269      5.793947
  H      -4.281036     -1.106402      6.549529
  H      -6.284489     -1.337486      5.763361
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.019364992630
  N      -3.541578     -3.564146      2.099973
  C      -2.607000     -4.106757      1.131228
  C      -2.208910     -5.495781      1.631837
  N      -3.311621     -6.044146      2.470071
  C      -4.460115     -6.470189      1.600193
  C      -5.761491     -6.490053      2.402608
  N      -5.766064     -5.307157      3.241947
  Mo     -4.094394     -4.397307      3.803330
  N      -3.323112     -5.764053      5.005430
  C      -2.297167     -6.703265      4.589115
  C      -2.812161     -7.219839      3.248099
  H      -2.207037     -7.524842      5.314983
  H      -1.309205     -6.222233      4.478513
  H      -3.645219     -7.909019      3.430484
  H      -2.033782     -7.743189      2.671789
  H      -6.616929     -6.481454      1.707757
  H      -5.837112     -7.401284      3.026576
  H      -4.561639     -5.750456      0.779307
  H      -4.239061     -7.459955      1.170150
  H      -1.707512     -3.478019      1.028790
  H      -3.091580     -4.148895      0.139532
  H      -1.315614     -5.426085      2.266634
  H      -1.999848     -6.177461      0.792327
  C      -3.959598     -2.223486      2.039594
  C      -3.062555     -1.147881      1.855416
  C      -3.492714      0.171985      1.974453
  C      -4.808156      0.432904      2.344756
  F      -5.192292      1.718025      2.524657
  C      -5.745025     -0.592630      2.501315
  C      -7.134481     -0.401846      3.022028
  O      -8.003285     -1.229742      2.803385
  C      -7.525844      0.809525      3.927756
  O      -8.517142      1.443198      3.623906
  C      -6.677107      1.165306      5.138989
  O      -5.625366      0.636041      5.462100
  Cl     -7.241199      2.620918      5.961192
  C      -5.317089     -1.912655      2.251628
  C      -6.932427     -4.805447      3.852698
  C      -8.231627     -5.343456      3.903263
  C      -9.200874     -4.680995      4.668683
  C      -8.904311     -3.526967      5.392807
  F      -9.885894     -2.980013      6.153063
  C      -7.622974     -2.949836      5.376073
  C      -7.301207     -1.633215      6.111702
  O      -8.095468     -0.628937      6.079250
  C      -5.763593     -1.587911      6.877771
  O      -4.521776     -2.816085      6.664810
  C      -5.522482     -0.409353      7.725151
  O      -6.273610      0.359179      8.229951
  Cl     -3.689188     -0.315629      7.988110
  C      -6.705737     -3.629389      4.561806
  C      -3.670026     -5.623520      6.350238
  C      -2.678717     -5.455894      7.348711
  C      -3.010910     -5.213348      8.673705
  C      -4.351545     -5.120526      9.019039
  F      -4.665708     -4.837647     10.306160
  C      -5.369903     -5.332897      8.083084
  C      -6.800778     -5.204403      8.417130
  O      -7.708666     -5.440241      7.632161
  C      -7.237383     -4.642902      9.789196
  O      -7.679154     -5.329018     10.678793
  C      -7.143759     -3.096559      9.887055
  O      -6.266852     -2.453120      9.379099
  Cl     -8.469308     -2.380293     10.796544
  C      -5.011996     -5.622425      6.750442
  H      -2.014669     -1.341180      1.623649
  H      -2.806989      1.005579      1.823322
  H      -6.081868     -2.687041      2.202344
  H      -8.503158     -6.261868      3.377203
  H     -10.215219     -5.075652      4.730383
  H      -5.576200     -3.229444      4.420269
  H      -1.625481     -5.513397      7.069803
  H      -2.247006     -5.071245      9.437740
  H      -5.811852     -5.871159      6.053662
  N      -4.518489     -2.836823      5.044564
  N      -4.978916     -1.723556      5.773666
  H      -4.269390     -1.094401      6.528610
  H      -6.310108     -1.336399      5.732485
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.058906282003
  N      -3.539256     -3.555134      2.100333
  C      -2.604706     -4.102970      1.134426
  C      -2.211167     -5.493760      1.633081
  N      -3.314846     -6.044215      2.469503
  C      -4.466186     -6.464958      1.600076
  C      -5.767768     -6.481903      2.402325
  N      -5.774062     -5.300245      3.243384
  Mo     -4.093735     -4.397098      3.805862
  N      -3.324104     -5.769966      5.014118
  C      -2.301060     -6.708660      4.588377
  C      -2.817717     -7.221385      3.247015
  H      -2.210581     -7.533141      5.311396
  H      -1.311547     -6.230360      4.477031
  H      -3.652902     -7.908560      3.427922
  H      -2.041222     -7.745429      2.668131
  H      -6.622216     -6.470704      1.705696
  H      -5.846312     -7.395320      3.023254
  H      -4.564015     -5.741938      0.781441
  H      -4.247842     -7.454409      1.167156
  H      -1.702347     -3.477478      1.033260
  H      -3.087030     -4.144265      0.141277
  H      -1.318820     -5.427859      2.269847
  H      -2.001846     -6.174847      0.792735
  C      -3.953341     -2.212848      2.037987
  C      -3.052345     -1.139686      1.859179
  C      -3.480048      0.181006      1.981442
  C      -4.797869      0.442821      2.342994
  F      -5.182881      1.728812      2.520823
  C      -5.738656     -0.580735      2.489043
  C      -7.135486     -0.389465      2.985305
  O      -8.004451     -1.212388      2.749009
  C      -7.546150      0.822978      3.880887
  O      -8.527870      1.458611      3.556369
  C      -6.720322      1.168763      5.113027
  O      -5.683326      0.626411      5.448454
  Cl     -7.298492      2.617364      5.943352
  C      -5.310216     -1.900016      2.244100
  C      -6.944212     -4.798728      3.851836
  C      -8.241791     -5.339332      3.900463
  C      -9.212528     -4.677052      4.666194
  C      -8.916004     -3.523292      5.390355
  F      -9.898413     -2.976951      6.149952
  C      -7.632710     -2.946839      5.371641
  C      -7.311415     -1.635773      6.102782
  O      -8.111527     -0.643414      6.072324
  C      -5.759929     -1.588695      6.884867
  O      -4.474371     -2.844487      6.679007
  C      -5.533579     -0.416783      7.727675
  O      -6.288981      0.346596      8.234278
  Cl     -3.687244     -0.311469      7.993165
  C      -6.720202     -3.622065      4.562372
  C      -3.665740     -5.635596      6.361544
  C      -2.670801     -5.472777      7.357228
  C      -2.997389     -5.232894      8.684473
  C      -4.337383     -5.136756      9.033106
  F      -4.647870     -4.855296     10.321819
  C      -5.359104     -5.342651      8.099522
  C      -6.787167     -5.205875      8.437329
  O      -7.700598     -5.438309      7.656918
  C      -7.225807     -4.644285      9.808265
  O      -7.672084     -5.334184     10.692748
  C      -7.132594     -3.097691      9.917361
  O      -6.252335     -2.451757      9.421093
  Cl     -8.461822     -2.388917     10.834398
  C      -5.005858     -5.631089      6.766008
  H      -2.003498     -1.335761      1.632899
  H      -2.791517      1.013806      1.837028
  H      -6.074575     -2.674898      2.192055
  H      -8.512020     -6.258322      3.374489
  H     -10.226714     -5.072754      4.728216
  H      -5.586926     -3.235300      4.419009
  H      -1.618598     -5.531266      7.073401
  H      -2.230516     -5.094459      9.446490
  H      -5.808140     -5.871590      6.068613
  N      -4.480662     -2.849820      5.042721
  N      -4.945511     -1.723917      5.763286
  H      -4.232422     -1.092258      6.514972
  H      -6.311926     -1.327474      5.714526
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.092972373353
  N      -3.541025     -3.547786      2.100755
  C      -2.605882     -4.099693      1.137541
  C      -2.213601     -5.491014      1.635106
  N      -3.316728     -6.045259      2.469953
  C      -4.469585     -6.464017      1.601486
  C      -5.771081     -6.480376      2.403644
  N      -5.781485     -5.299087      3.245085
  Mo     -4.095460     -4.398346      3.808131
  N      -3.324762     -5.774137      5.023513
  C      -2.302348     -6.710264      4.589293
  C      -2.819223     -7.221748      3.248082
  H      -2.209522     -7.536901      5.309945
  H      -1.312451     -6.232437      4.477175
  H      -3.655006     -7.908568      3.428117
  H      -2.043388     -7.745446      2.667501
  H      -6.624409     -6.469425      1.705176
  H      -5.850625     -7.395420      3.022385
  H      -4.565449     -5.738683      0.784510
  H      -4.251961     -7.452947      1.166505
  H      -1.701950     -3.475852      1.037042
  H      -3.085935     -4.141642      0.143056
  H      -1.322306     -5.426341      2.273633
  H      -2.002311     -6.171546      0.794463
  C      -3.952120     -2.204413      2.034820
  C      -3.048732     -1.132942      1.856268
  C      -3.472871      0.188988      1.980504
  C      -4.789980      0.453093      2.343033
  F      -5.172794      1.740068      2.523773
  C      -5.732950     -0.568203      2.490134
  C      -7.127820     -0.372716      2.986910
  O      -8.000025     -1.193736      2.755618
  C      -7.542674      0.846574      3.873622
  O      -8.526951      1.474416      3.546497
  C      -6.714597      1.207361      5.103113
  O      -5.673583      0.675723      5.431233
  Cl     -7.304738      2.654773      5.930330
  C      -5.307525     -1.888141      2.243953
  C      -6.956215     -4.800947      3.849258
  C      -8.250222     -5.348282      3.895639
  C      -9.225620     -4.688910      4.659806
  C      -8.934285     -3.533279      5.382246
  F      -9.919346     -2.989082      6.139145
  C      -7.650932     -2.953117      5.361404
  C      -7.332655     -1.646655      6.082370
  O      -8.140635     -0.668563      6.052539
  C      -5.769444     -1.591752      6.877345
  O      -4.435891     -2.870039      6.684147
  C      -5.560657     -0.422489      7.711872
  O      -6.321163      0.336279      8.218342
  Cl     -3.702090     -0.296258      7.979284
  C      -6.738118     -3.621969      4.559529
  C      -3.660899     -5.646614      6.373278
  C      -2.663303     -5.486416      7.366583
  C      -2.986272     -5.249235      8.695526
  C      -4.325970     -5.151584      9.046407
  F      -4.634404     -4.871126     10.336010
  C      -5.349948     -5.353142      8.114402
  C      -6.775707     -5.209498      8.453625
  O      -7.693190     -5.440943      7.676815
  C      -7.216892     -4.645483      9.821828
  O      -7.667215     -5.336206     10.703738
  C      -7.124490     -3.098577      9.935023
  O      -6.241385     -2.451917      9.446670
  Cl     -8.456848     -2.393556     10.856362
  C      -4.999551     -5.640850      6.780671
  H      -2.000214     -1.331973      1.630432
  H      -2.782042      1.020246      1.837301
  H      -6.072245     -2.663228      2.198149
  H      -8.515179     -6.269285      3.370718
  H     -10.238092     -5.089294      4.721673
  H      -5.606180     -3.246689      4.415368
  H      -1.611910     -5.543785      7.078892
  H      -2.217520     -5.112660      9.456085
  H      -5.803153     -5.874187      6.081974
  N      -4.449922     -2.864695      5.037454
  N      -4.924130     -1.726027      5.744060
  H      -4.211658     -1.090530      6.487148
  H      -6.325772     -1.324938      5.685023
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.122794960991
  N      -3.542588     -3.538102      2.104738
  C      -2.607202     -4.093364      1.143407
  C      -2.216875     -5.486118      1.638110
  N      -3.319581     -6.044447      2.470820
  C      -4.474756     -6.459233      1.603591
  C      -5.776033     -6.474660      2.406494
  N      -5.788939     -5.294446      3.249464
  Mo     -4.096526     -4.398634      3.812689
  N      -3.325561     -5.778200      5.033730
  C      -2.304596     -6.712219      4.589928
  C      -2.822287     -7.221091      3.248457
  H      -2.209644     -7.541809      5.307242
  H      -1.314059     -6.235389      4.477467
  H      -3.659158     -7.907047      3.427261
  H      -2.047590     -7.744752      2.665919
  H      -6.628503     -6.462743      1.706611
  H      -5.857166     -7.391737      3.022236
  H      -4.568552     -5.730705      0.789080
  H      -4.259283     -7.447361      1.165336
  H      -1.701538     -3.471494      1.043886
  H      -3.085141     -4.134689      0.147669
  H      -1.326498     -5.423912      2.278296
  H      -2.003883     -6.164977      0.796240
  C      -3.950171     -2.194061      2.035303
  C      -3.044176     -1.123993      1.859901
  C      -3.465519      0.198483      1.985822
  C      -4.783606      0.463922      2.341819
  F      -5.166514      1.751683      2.520461
  C      -5.729365     -0.555548      2.482919
  C      -7.127535     -0.354388      2.961674
  O      -8.003647     -1.169353      2.722788
  C      -7.548406      0.873314      3.834095
  O      -8.523520      1.505811      3.493592
  C      -6.729828      1.230613      5.074668
  O      -5.700202      0.686952      5.409882
  Cl     -7.325158      2.676132      5.903410
  C      -5.305071     -1.876271      2.241400
  C      -6.966771     -4.799107      3.850244
  C      -8.257912     -5.351223      3.894611
  C      -9.236760     -4.694555      4.658359
  C      -8.949723     -3.538196      5.380350
  F      -9.936011     -2.996029      6.135738
  C      -7.666196     -2.955071      5.357719
  C      -7.346988     -1.654643      6.069632
  O      -8.160787     -0.688008      6.045156
  C      -5.772714     -1.597192      6.872593
  O      -4.393088     -2.898783      6.688550
  C      -5.577945     -0.431286      7.702906
  O      -6.341254      0.323135      8.212165
  Cl     -3.707868     -0.285030      7.973124
  C      -6.752565     -3.618466      4.561177
  C      -3.655159     -5.659184      6.386191
  C      -2.654882     -5.503989      7.377408
  C      -2.974560     -5.271324      8.708255
  C      -4.313742     -5.171459      9.061687
  F      -4.619836     -4.893822     10.352505
  C      -5.340169     -5.366119      8.130914
  C      -6.763704     -5.214931      8.471218
  O      -7.684828     -5.443513      7.697013
  C      -7.206280     -4.650352      9.837736
  O      -7.661011     -5.341894     10.716852
  C      -7.112519     -3.103699      9.955261
  O      -6.226134     -2.457431      9.473974
  Cl     -8.445918     -2.400558     10.881451
  C      -4.992567     -5.651260      6.796432
  H      -1.995189     -1.325394      1.638178
  H      -2.772353      1.028612      1.847033
  H      -6.069458     -2.651956      2.197053
  H      -8.518871     -6.273295      3.370024
  H     -10.247754     -5.098817      4.720086
  H      -5.626310     -3.256567      4.416792
  H      -1.604336     -5.560635      7.086173
  H      -2.203989     -5.138485      9.467663
  H      -5.797605     -5.875284      6.096033
  N      -4.416347     -2.880180      5.036649
  N      -4.897984     -1.728462      5.730368
  H      -4.185608     -1.094728      6.461671
  H      -6.332846     -1.320335      5.662697
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.149270488662
  N      -3.544843     -3.529359      2.109461
  C      -2.609303     -4.087626      1.149545
  C      -2.219988     -5.481630      1.641333
  N      -3.321894     -6.044338      2.471794
  C      -4.478965     -6.455723      1.605942
  C      -5.779940     -6.470635      2.409656
  N      -5.795642     -5.291203      3.253824
  Mo     -4.097852     -4.399551      3.817187
  N      -3.326369     -5.781794      5.043902
  C      -2.306369     -6.713484      4.591082
  C      -2.824360     -7.220522      3.249398
  H      -2.208900     -7.545846      5.305126
  H      -1.315456     -6.237136      4.478555
  H      -3.662063     -7.905866      3.427155
  H      -2.050431     -7.744267      2.665591
  H      -6.631505     -6.458480      1.708366
  H      -5.862316     -7.389469      3.022724
  H      -4.571177     -5.724284      0.793736
  H      -4.265567     -7.443039      1.164558
  H      -1.702264     -3.467364      1.050747
  H      -3.085290     -4.128417      0.152666
  H      -1.330481     -5.421286      2.283024
  H      -2.004747     -6.158539      0.798196
  C      -3.948745     -2.184710      2.035976
  C      -3.040814     -1.115883      1.861568
  C      -3.459828      0.207304      1.988597
  C      -4.778246      0.474377      2.341925
  F      -5.160439      1.762897      2.520160
  C      -5.725724     -0.543772      2.481894
  C      -7.124542     -0.338854      2.952148
  O      -8.002942     -1.151951      2.714519
  C      -7.550464      0.897392      3.810656
  O      -8.523705      1.527300      3.464248
  C      -6.733469      1.263444      5.053380
  O      -5.706009      0.720970      5.387919
  Cl     -7.338808      2.705809      5.880179
  C      -5.302698     -1.864914      2.242784
  C      -6.976400     -4.799284      3.850499
  C      -8.264458     -5.356838      3.892635
  C      -9.247406     -4.703442      4.655267
  C      -8.966193     -3.545596      5.376324
  F      -9.954085     -3.005525      6.129436
  C      -7.683403     -2.958109      5.352340
  C      -7.362797     -1.662060      6.053564
  O      -8.181387     -0.705534      6.035503
  C      -5.779370     -1.602053      6.860598
  O      -4.353162     -2.925741      6.687240
  C      -5.597987     -0.437216      7.687072
  O      -6.364219      0.313163      8.198315
  Cl     -3.718338     -0.267626      7.962352
  C      -6.766626     -3.616460      4.561397
  C      -3.649166     -5.671765      6.398840
  C      -2.646851     -5.521741      7.388538
  C      -2.964505     -5.293945      8.720989
  C      -4.303271     -5.191806      9.076262
  F      -4.607727     -4.917149     10.368055
  C      -5.331589     -5.379333      8.146051
  C      -6.753301     -5.220374      8.485974
  O      -7.677053     -5.446261      7.713305
  C      -7.197006     -4.654021      9.850335
  O      -7.656298     -5.344437     10.728055
  C      -7.100651     -3.107665      9.968332
  O      -6.210974     -2.463579      9.491389
  Cl     -8.433725     -2.402795     10.897565
  C      -4.985739     -5.661689      6.811011
  H      -1.991797     -1.319444      1.641880
  H      -2.764891      1.036313      1.851909
  H      -6.066619     -2.641417      2.203590
  H      -8.520467     -6.280313      3.368640
  H     -10.256538     -5.112426      4.716608
  H      -5.650108     -3.267543      4.418010
  H      -1.596946     -5.577319      7.094707
  H      -2.192731     -5.164909      9.479815
  H      -5.791707     -5.875907      6.108390
  N      -4.384991     -2.895534      5.035741
  N      -4.875448     -1.729938      5.713831
  H      -4.165218     -1.100202      6.429296
  H      -6.341912     -1.315381      5.636865
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.173097922858
  N      -3.547275     -3.520159      2.116127
  C      -2.611897     -4.080748      1.156843
  C      -2.223597     -5.476414      1.644678
  N      -3.324558     -6.043851      2.472684
  C      -4.483856     -6.451171      1.608575
  C      -5.784200     -6.465759      2.413799
  N      -5.802045     -5.287397      3.259699
  Mo     -4.098858     -4.400474      3.822725
  N      -3.326735     -5.785388      5.053911
  C      -2.307948     -6.714855      4.591762
  C      -2.826652     -7.219725      3.249780
  H      -2.207760     -7.550266      5.302110
  H      -1.316705     -6.238945      4.479302
  H      -3.665223     -7.904385      3.426596
  H      -2.053611     -7.743734      2.664765
  H      -6.635191     -6.453130      1.711557
  H      -5.867634     -7.386441      3.023997
  H      -4.574939     -5.716552      0.799004
  H      -4.273240     -7.437530      1.163475
  H      -1.703545     -3.462077      1.058789
  H      -3.086265     -4.120210      0.158987
  H      -1.334786     -5.418299      2.287655
  H      -2.006117     -6.150618      0.799704
  C      -3.947351     -2.175033      2.038594
  C      -3.037451     -1.107330      1.865989
  C      -3.454067      0.216357      1.993323
  C      -4.773243      0.485066      2.340873
  F      -5.155197      1.774402      2.515912
  C      -5.722760     -0.531676      2.477678
  C      -7.123806     -0.320639      2.932483
  O      -8.005625     -1.129615      2.692302
  C      -7.552525      0.926305      3.773849
  O      -8.518356      1.559679      3.416906
  C      -6.741047      1.294412      5.023681
  O      -5.722489      0.743330      5.364812
  Cl     -7.351624      2.735540      5.847601
  C      -5.300814     -1.853810      2.243853
  C      -6.985035     -4.799084      3.852848
  C      -8.270320     -5.361754      3.893067
  C      -9.256874     -4.712136      4.655068
  C      -8.981431     -3.553054      5.375499
  F      -9.970457     -3.015202      6.126945
  C      -7.700052     -2.960872      5.350296
  C      -7.377348     -1.668256      6.041613
  O      -8.199895     -0.720081      6.032911
  C      -5.786278     -1.607565      6.848458
  O      -4.313565     -2.952872      6.684203
  C      -5.617274     -0.443402      7.673917
  O      -6.387211      0.301566      8.187655
  Cl     -3.730788     -0.248568      7.958538
  C      -6.779334     -3.614454      4.563937
  C      -3.642206     -5.685107      6.411434
  C      -2.637984     -5.541381      7.399843
  C      -2.954055     -5.319492      8.733914
  C      -4.292315     -5.214947      9.091086
  F      -4.595049     -4.944349     10.384037
  C      -5.322503     -5.394132      8.161216
  C      -6.742602     -5.227407      8.500535
  O      -7.668497     -5.449703      7.728682
  C      -7.186670     -4.660261      9.863522
  O      -7.650320     -5.349424     10.739977
  C      -7.086628     -3.114417      9.981727
  O      -6.193723     -2.473212      9.507871
  Cl     -8.417804     -2.406455     10.914318
  C      -4.978178     -5.672521      6.825379
  H      -1.988152     -1.312963      1.649679
  H      -2.757214      1.044212      1.859502
  H      -6.064267     -2.631072      2.208375
  H      -8.521598     -6.286362      3.369369
  H     -10.264076     -5.125896      4.716218
  H      -5.675496     -3.277746      4.422358
  H      -1.588647     -5.595894      7.103817
  H      -2.181221     -5.195134      9.492421
  H      -5.785022     -5.875909      6.120370
  N      -4.354349     -2.909779      5.038696
  N      -4.854083     -1.730136      5.700361
  H      -4.147376     -1.107991      6.397096
  H      -6.350328     -1.308995      5.614907
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.194878757088
  N      -3.549324     -3.511812      2.123537
  C      -2.614581     -4.074482      1.164200
  C      -2.227360     -5.471978      1.647658
  N      -3.327282     -6.044067      2.473192
  C      -4.488849     -6.447117      1.611087
  C      -5.788222     -6.461367      2.418227
  N      -5.807749     -5.284049      3.265931
  Mo     -4.099315     -4.401879      3.828312
  N      -3.326622     -5.789129      5.063154
  C      -2.309254     -6.716637      4.591960
  C      -2.828986     -7.219495      3.249774
  H      -2.206281     -7.555061      5.298571
  H      -1.317718     -6.241171      4.479585
  H      -3.668464     -7.903340      3.425962
  H      -2.056894     -7.744157      2.663880
  H      -6.638889     -6.448338      1.715374
  H      -5.872530     -7.383747      3.025741
  H      -4.579148     -5.709384      0.804160
  H      -4.281547     -7.432539      1.162138
  H      -1.704881     -3.457543      1.066680
  H      -3.087734     -4.112118      0.165561
  H      -1.339076     -5.416202      2.291678
  H      -2.007718     -6.143139      0.800605
  C      -3.945294     -2.166096      2.042123
  C      -3.033437     -1.099666      1.870665
  C      -3.447727      0.224626      1.997705
  C      -4.767640      0.495362      2.340240
  F      -5.148857      1.785629      2.511858
  C      -5.719002     -0.519993      2.475598
  C      -7.121886     -0.303429      2.917136
  O      -8.006020     -1.110233      2.677243
  C      -7.553810      0.954251      3.740522
  O      -8.514477      1.588421      3.374291
  C      -6.746954      1.328825      4.995299
  O      -5.734797      0.773511      5.342457
  Cl     -7.365208      2.768400      5.813874
  C      -5.298115     -1.843025      2.246908
  C      -6.992707     -4.799505      3.855693
  C      -8.275390     -5.367433      3.894170
  C      -9.265477     -4.721972      4.655518
  C      -8.996112     -3.561299      5.375088
  F      -9.986328     -3.025631      6.124866
  C      -7.716818     -2.963873      5.348725
  C      -7.392222     -1.672762      6.030046
  O      -8.217731     -0.731745      6.032180
  C      -5.795411     -1.611729      6.833041
  O      -4.275575     -2.978145      6.678139
  C      -5.638708     -0.447276      7.659087
  O      -6.414378      0.290759      8.174402
  Cl     -3.749077     -0.224604      7.958407
  C      -6.791411     -3.613099      4.566777
  C      -3.634623     -5.698712      6.423151
  C      -2.628771     -5.561916      7.410517
  C      -2.943873     -5.346214      8.746050
  C      -4.281628     -5.238909      9.104848
  F      -4.582796     -4.972727     10.398949
  C      -5.313487     -5.409177      8.175042
  C      -6.732230     -5.234564      8.513238
  O      -7.659683     -5.452952      7.741553
  C      -7.176266     -4.666397      9.875023
  O      -7.644104     -5.353591     10.750804
  C      -7.071794     -3.121109      9.991998
  O      -6.175876     -2.483671      9.519449
  Cl     -8.399922     -2.408277     10.927415
  C      -4.970247     -5.683152      6.838474
  H      -1.984005     -1.307441      1.657146
  H      -2.749039      1.051228      1.865886
  H      -6.061149     -2.620993      2.216268
  H      -8.521746     -6.293224      3.370782
  H     -10.270609     -5.140742      4.716622
  H      -5.701735     -3.286884      4.427972
  H      -1.579882     -5.615515      7.112848
  H      -2.170247     -5.226978      9.504546
  H      -5.777776     -5.875140      6.130921
  N      -4.325315     -2.921606      5.044657
  N      -4.835495     -1.727815      5.687178
  H      -4.134254     -1.115700      6.362479
  H      -6.359671     -1.300685      5.593206
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.215246996139
  N      -3.550882     -3.503972      2.132016
  C      -2.617364     -4.068304      1.171819
  C      -2.231691     -5.467958      1.650189
  N      -3.330527     -6.044642      2.473293
  C      -4.494635     -6.442976      1.613554
  C      -5.792483     -6.456924      2.423288
  N      -5.812830     -5.280830      3.273160
  Mo     -4.099035     -4.403626      3.834380
  N      -3.325737     -5.793251      5.071391
  C      -2.310223     -6.719086      4.591172
  C      -2.831790     -7.219738      3.248929
  H      -2.204416     -7.560598      5.293881
  H      -1.318393     -6.244187      4.478712
  H      -3.672240     -7.902588      3.424870
  H      -2.060915     -7.745367      2.662128
  H      -6.643286     -6.443275      1.720412
  H      -5.877413     -7.380976      3.028153
  H      -4.584562     -5.702029      0.809435
  H      -4.291319     -7.427408      1.160398
  H      -1.706141     -3.453406      1.074689
  H      -3.089827     -4.103313      0.172641
  H      -1.343697     -5.414967      2.294948
  H      -2.010273     -6.135673      0.800685
  C      -3.942593     -2.157583      2.047276
  C      -3.028487     -1.092580      1.877185
  C      -3.440101      0.232320      2.003116
  C      -4.760935      0.505570      2.339251
  F      -5.141080      1.796961      2.505734
  C      -5.714451     -0.508022      2.472887
  C      -7.119716     -0.284595      2.898555
  O      -8.006316     -1.088768      2.658016
  C      -7.553926      0.984803      3.702039
  O      -8.507352      1.621408      3.323893
  C      -6.754219      1.364544      4.963607
  O      -5.751108      0.802187      5.320867
  Cl     -7.378931      2.804129      5.774465
  C      -5.294858     -1.832400      2.250823
  C      -6.999402     -4.800264      3.860191
  C      -8.279649     -5.373608      3.897339
  C      -9.273017     -4.732904      4.658446
  C      -9.009756     -3.570545      5.377111
  F     -10.001109     -3.037270      6.125620
  C      -7.733140     -2.967486      5.349367
  C      -7.407279     -1.676381      6.020908
  O      -8.235289     -0.741786      6.035281
  C      -5.806443     -1.614993      6.816595
  O      -4.238490     -3.002012      6.670944
  C      -5.662492     -0.449978      7.645138
  O      -6.446572      0.278761      8.161298
  Cl     -3.774109     -0.197149      7.964857
  C      -6.802870     -3.612412      4.571437
  C      -3.626199     -5.712817      6.433884
  C      -2.618764     -5.583677      7.420166
  C      -2.933155     -5.374416      8.757081
  C      -4.270351     -5.264022      9.117525
  F      -4.569854     -5.002682     10.412866
  C      -5.303882     -5.424881      8.187760
  C      -6.721433     -5.242537      8.524810
  O      -7.650108     -5.456663      7.752936
  C      -7.165001     -4.673665      9.885821
  O      -7.636635     -5.358797     10.761158
  C      -7.055750     -3.128985     10.001157
  O      -6.157138     -2.495696      9.528672
  Cl     -8.379866     -2.410532     10.939507
  C      -4.961607     -5.693910      6.850475
  H      -1.978905     -1.302729      1.666850
  H      -2.739336      1.057443      1.873263
  H      -6.057759     -2.610775      2.224522
  H      -8.521080     -6.300486      3.374070
  H     -10.275943     -5.156889      4.719804
  H      -5.727374     -3.294042      4.436146
  H      -1.570276     -5.636592      7.121118
  H      -2.158818     -5.260793      9.515685
  H      -5.769769     -5.874075      6.140428
  N      -4.297940     -2.929684      5.055965
  N      -4.819597     -1.722838      5.675964
  H      -4.125446     -1.122681      6.328231
  H      -6.369863     -1.290785      5.573793
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.234784449714
  N      -3.551860     -3.496781      2.141371
  C      -2.620153     -4.062433      1.179616
  C      -2.236503     -5.464474      1.652377
  N      -3.334287     -6.045538      2.473127
  C      -4.501055     -6.438833      1.615950
  C      -5.796873     -6.452500      2.428775
  N      -5.817188     -5.277802      3.281092
  Mo     -4.098040     -4.405694      3.840822
  N      -3.324289     -5.797738      5.078532
  C      -2.311043     -6.722274      4.589554
  C      -2.835176     -7.220501      3.247418
  H      -2.202536     -7.566869      5.288311
  H      -1.318880     -6.248145      4.476866
  H      -3.676689     -7.902147      3.423441
  H      -2.065786     -7.747387      2.659662
  H      -6.648225     -6.437975      1.726417
  H      -5.882248     -7.378159      3.031078
  H      -4.590892     -5.694628      0.814736
  H      -4.302206     -7.422222      1.158358
  H      -1.707252     -3.449877      1.082726
  H      -3.092450     -4.094114      0.180148
  H      -1.348576     -5.414674      2.297584
  H      -2.013777     -6.128503      0.800176
  C      -3.939185     -2.149550      2.053906
  C      -3.022538     -1.086185      1.885240
  C      -3.431276      0.239405      2.009456
  C      -4.753188      0.515668      2.338627
  F      -5.131769      1.808342      2.499145
  C      -5.709037     -0.495891      2.470761
  C      -7.116910     -0.265707      2.880063
  O      -8.005163     -1.068147      2.639100
  C      -7.554060      1.015048      3.663004
  O      -8.500432      1.653236      3.272032
  C      -6.763037      1.400841      4.931452
  O      -5.768889      0.832435      5.300071
  Cl     -7.394940      2.840912      5.732831
  C      -5.290807     -1.821707      2.255974
  C      -7.005112     -4.801305      3.865981
  C      -8.283026     -5.380177      3.902106
  C      -9.279475     -4.744617      4.663357
  C      -9.022262     -3.580441      5.381049
  F     -10.014790     -3.049629      6.128518
  C      -7.748678     -2.971574      5.351598
  C      -7.421715     -1.679050      6.012981
  O      -8.251619     -0.750040      6.040121
  C      -5.818384     -1.617207      6.798241
  O      -4.201826     -3.025009      6.662733
  C      -5.687324     -0.451289      7.630404
  O      -6.481966      0.266405      8.146435
  Cl     -3.804506     -0.167647      7.974181
  C      -6.813702     -3.612342      4.577500
  C      -3.617389     -5.727233      6.443520
  C      -2.608456     -5.606249      7.428626
  C      -2.922401     -5.403244      8.766784
  C      -4.259002     -5.289321      9.128767
  F      -4.556850     -5.032813     10.425333
  C      -5.294151     -5.440726      8.199027
  C      -6.710668     -5.250813      8.534827
  O      -7.640252     -5.460733      7.762530
  C      -7.153530     -4.680881      9.895111
  O      -7.628533     -5.363579     10.770495
  C      -7.039502     -3.136768     10.007764
  O      -6.138667     -2.507988      9.533901
  Cl     -8.359036     -2.411918     10.948662
  C      -4.952668     -5.704708      6.861165
  H      -1.972850     -1.298932      1.678145
  H      -2.728259      1.062856      1.881380
  H      -6.053866     -2.600184      2.233856
  H      -8.519560     -6.308068      3.378808
  H     -10.280102     -5.173918      4.725204
  H      -5.751307     -3.298847      4.446426
  H      -1.560320     -5.658794      7.128468
  H      -2.147463     -5.295474      9.525601
  H      -5.761350     -5.872962      6.148702
  N      -4.272333     -2.933372      5.072870
  N      -4.805700     -1.715852      5.665444
  H      -4.119356     -1.128585      6.294219
  H      -6.380052     -1.279751      5.555407
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.253814448733
  N      -3.552517     -3.489790      2.151813
  C      -2.623062     -4.056345      1.187936
  C      -2.241748     -5.460945      1.654605
  N      -3.338583     -6.046226      2.472992
  C      -4.508008     -6.434188      1.618385
  C      -5.801413     -6.447741      2.434630
  N      -5.820967     -5.274706      3.289693
  Mo     -4.096620     -4.407822      3.847800
  N      -3.322613     -5.802370      5.084820
  C      -2.311962     -6.725976      4.587444
  C      -2.839218     -7.221400      3.245511
  H      -2.200970     -7.573662      5.282198
  H      -1.319405     -6.252814      4.474487
  H      -3.681889     -7.901657      3.421775
  H      -2.071540     -7.749718      2.656705
  H      -6.653663     -6.432030      1.733268
  H      -5.887082     -7.374986      3.034386
  H      -4.597955     -5.686642      0.820206
  H      -4.313882     -7.416417      1.156130
  H      -1.708441     -3.446274      1.091243
  H      -3.095629     -4.084058      0.188392
  H      -1.353717     -5.414696      2.300041
  H      -2.018095     -6.121044      0.799493
  C      -3.935397     -2.141544      2.062002
  C      -3.016003     -1.079973      1.895042
  C      -3.421794      0.246389      2.016953
  C      -4.744976      0.526003      2.338078
  F      -5.121771      1.820050      2.491632
  C      -5.703311     -0.483391      2.468282
  C      -7.114219     -0.246836      2.859816
  O      -8.003288     -1.048206      2.617625
  C      -7.554951      1.044554      3.621983
  O      -8.493834      1.684274      3.217076
  C      -6.774445      1.435380      4.897918
  O      -5.789817      0.860442      5.279041
  Cl     -7.413317      2.876133      5.689543
  C      -5.286352     -1.810663      2.261722
  C      -7.009998     -4.802327      3.873024
  C      -8.285665     -5.386645      3.908319
  C      -9.284938     -4.756448      4.670171
  C      -9.033508     -3.590538      5.387010
  F     -10.027207     -3.062133      6.133693
  C      -7.763083     -2.976065      5.355518
  C      -7.434404     -1.681165      6.006224
  O      -8.265462     -0.756585      6.046445
  C      -5.829863     -1.619289      6.778237
  O      -4.165261     -3.048524      6.653812
  C      -5.711096     -0.452280      7.614854
  O      -6.517291      0.253372      8.130106
  Cl     -3.837443     -0.139829      7.983566
  C      -6.823831     -3.612742      4.585013
  C      -3.608595     -5.741788      6.452315
  C      -2.598240     -5.629369      7.436166
  C      -2.911898     -5.432377      8.775477
  C      -4.247846     -5.314578      9.138926
  F      -4.544045     -5.062814     10.436701
  C      -5.284570     -5.456603      8.209221
  C      -6.700167     -5.259351      8.543794
  O      -7.630451     -5.465224      7.770986
  C      -7.142035     -4.688020      9.903405
  O      -7.619869     -5.367986     10.779331
  C      -7.023418     -3.144391     10.012438
  O      -6.120908     -2.520293      9.535875
  Cl     -8.337872     -2.412682     10.955656
  C      -4.943783     -5.715482      6.870848
  H      -1.966173     -1.295442      1.691574
  H      -2.716387      1.068048      1.890769
  H      -6.049839     -2.588963      2.243249
  H      -8.517474     -6.315399      3.384789
  H     -10.283253     -5.190984      4.732648
  H      -5.772889     -3.301257      4.458771
  H      -1.550422     -5.681829      7.135106
  H      -2.136435     -5.330614      9.534567
  H      -5.752889     -5.871841      6.156089
  N      -4.248438     -2.932947      5.095396
  N      -4.792916     -1.708411      5.655432
  H      -4.113765     -1.134088      6.261732
  H      -6.389136     -1.268570      5.538124
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.272286661649
  N      -3.552952     -3.482744      2.163282
  C      -2.626086     -4.049829      1.196831
  C      -2.247336     -5.457103      1.657061
  N      -3.343396     -6.046422      2.473011
  C      -4.515331     -6.428838      1.620811
  C      -5.806043     -6.442529      2.440622
  N      -5.824214     -5.271435      3.298680
  Mo     -4.094983     -4.409828      3.855221
  N      -3.321003     -5.806938      5.090450
  C      -2.313174     -6.729968      4.585140
  C      -2.843939     -7.222175      3.243441
  H      -2.199941     -7.580741      5.275862
  H      -1.320149     -6.257948      4.471913
  H      -3.687864     -7.900875      3.420019
  H      -2.078143     -7.752056      2.653511
  H      -6.659480     -6.425381      1.740653
  H      -5.891859     -7.371355      3.037851
  H      -4.605514     -5.677879      0.825782
  H      -4.326009     -7.409779      1.153712
  H      -1.709723     -3.442335      1.100321
  H      -3.099276     -4.073027      0.197388
  H      -1.359096     -5.414698      2.302583
  H      -2.023027     -6.113068      0.798873
  C      -3.931296     -2.133346      2.071342
  C      -3.009000     -1.073760      1.906353
  C      -3.411914      0.253512      2.025376
  C      -4.736531      0.536748      2.337420
  F      -5.111461      1.832227      2.483114
  C      -5.697456     -0.470484      2.465307
  C      -7.111807     -0.228441      2.837868
  O      -8.000590     -1.029754      2.593798
  C      -7.557085      1.072573      3.579230
  O      -8.488345      1.713554      3.159673
  C      -6.788682      1.467048      4.862912
  O      -5.813779      0.885186      5.256949
  Cl     -7.434063      2.908305      5.645456
  C      -5.281550     -1.799083      2.267851
  C      -7.014180     -4.803194      3.880957
  C      -8.287707     -5.392725      3.915497
  C      -9.289596     -4.767948      4.678338
  C      -9.043666     -3.600472      5.394531
  F     -10.038614     -3.074354      6.140611
  C      -7.776358     -2.980856      5.360771
  C      -7.444908     -1.682957      6.000254
  O      -8.276169     -0.761474      6.053768
  C      -5.840392     -1.621625      6.756509
  O      -4.129152     -3.072836      6.643925
  C      -5.732897     -0.453343      7.598271
  O      -6.550798      0.239822      8.112322
  Cl     -3.871343     -0.116387      7.991276
  C      -6.833275     -3.613505      4.593618
  C      -3.600176     -5.756277      6.460373
  C      -2.588487     -5.652797      7.442988
  C      -2.901895     -5.461571      8.783418
  C      -4.237101     -5.339609      9.148315
  F      -4.531632     -5.092495     10.447313
  C      -5.275365     -5.472339      8.218659
  C      -6.690101     -5.267998      8.552215
  O      -7.621016     -5.469948      7.778965
  C      -7.130482     -4.694966      9.911281
  O      -7.610434     -5.371925     10.788307
  C      -7.007513     -3.151690     10.015848
  O      -6.104034     -2.532319      9.535146
  Cl     -8.316265     -2.412850     10.961449
  C      -4.935292     -5.726046      6.879716
  H      -1.958974     -1.292022      1.706933
  H      -2.704034      1.073312      1.901214
  H      -6.045695     -2.576957      2.252580
  H      -8.515031     -6.322177      3.391527
  H     -10.285641     -5.207545      4.741455
  H      -5.791688     -3.301300      4.472788
  H      -1.540956     -5.705449      7.141196
  H      -2.125942     -5.365948      9.542798
  H      -5.744758     -5.870529      6.162831
  N      -4.226367     -2.928796      5.123007
  N      -4.781141     -1.701544      5.645696
  H      -4.107294     -1.139121      6.231921
  H      -6.396753     -1.257924      5.521793
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.289733829208
  N      -3.553110     -3.475380      2.175551
  C      -2.629158     -4.042738      1.206140
  C      -2.253251     -5.452789      1.659726
  N      -3.348757     -6.045950      2.473151
  C      -4.522974     -6.422661      1.623119
  C      -5.810752     -6.436831      2.446578
  N      -5.826966     -5.267946      3.307867
  Mo     -4.093187     -4.411612      3.862944
  N      -3.319475     -5.811332      5.095642
  C      -2.314644     -6.734077      4.582740
  C      -2.849303     -7.222620      3.241283
  H      -2.199310     -7.587952      5.269387
  H      -1.321092     -6.263325      4.469126
  H      -3.694540     -7.899632      3.418304
  H      -2.085572     -7.754165      2.650087
  H      -6.665680     -6.418079      1.748403
  H      -5.896480     -7.367249      3.041318
  H      -4.613511     -5.668204      0.831370
  H      -4.338424     -7.402170      1.150982
  H      -1.710946     -3.437997      1.109771
  H      -3.103299     -4.060933      0.206960
  H      -1.364745     -5.414521      2.305253
  H      -2.028483     -6.104463      0.798328
  C      -3.926820     -2.124816      2.081636
  C      -3.001516     -1.067420      1.918838
  C      -3.401718      0.260932      2.034192
  C      -4.727895      0.547943      2.335963
  F      -5.101111      1.844907      2.472693
  C      -5.691485     -0.457208      2.461246
  C      -7.109596     -0.210411      2.813454
  O      -7.997157     -1.012593      2.567081
  C      -7.559997      1.099411      3.533854
  O      -8.483078      1.741832      3.098831
  C      -6.805439      1.495421      4.825728
  O      -5.841037      0.905518      5.233345
  Cl     -7.456096      2.937284      5.600108
  C      -5.276399     -1.787038      2.273986
  C      -7.017808     -4.803893      3.889574
  C      -8.289347     -5.398268      3.923411
  C      -9.293722     -4.778853      4.687529
  C      -9.053145     -3.610006      5.403346
  F     -10.049574     -3.086187      6.148912
  C      -7.788807     -2.985789      5.367336
  C      -7.453671     -1.684587      5.995403
  O      -8.284060     -0.765061      6.062529
  C      -5.850273     -1.624105      6.733640
  O      -4.094094     -3.097281      6.633157
  C      -5.752967     -0.454573      7.581202
  O      -6.581954      0.226124      8.094137
  Cl     -3.905482     -0.099544      7.996701
  C      -6.842176     -3.614586      4.603109
  C      -3.592240     -5.770573      6.467761
  C      -2.579274     -5.676411      7.449284
  C      -2.892302     -5.490718      8.790872
  C      -4.226658     -5.364413      9.157294
  F      -4.519436     -5.121934     10.457581
  C      -5.266457     -5.487963      8.227748
  C      -6.680348     -5.276996      8.560762
  O      -7.611972     -5.475173      7.787308
  C      -7.118684     -4.702184      9.919520
  O      -7.599749     -5.376087     10.798184
  C      -6.991986     -3.159082     10.019085
  O      -6.088552     -2.544127      9.532708
  Cl     -8.294384     -2.413425     10.967669
  C      -4.927281     -5.736299      6.888019
  H      -1.951214     -1.288501      1.724001
  H      -2.691339      1.078863      1.912153
  H      -6.041348     -2.564311      2.261619
  H      -8.512493     -6.328253      3.398816
  H     -10.287559     -5.223334      4.751163
  H      -5.807287     -3.299136      4.488153
  H      -1.532009     -5.729519      7.146856
  H      -2.115819     -5.401373      9.550486
  H      -5.737108     -5.868907      6.169239
  N      -4.206242     -2.921781      5.154909
  N      -4.770815     -1.695536      5.636585
  H      -4.099121     -1.142696      6.206430
  H      -6.403459     -1.248005      5.506869
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.305538826461
  N      -3.552924     -3.467495      2.188190
  C      -2.632244     -4.035134      1.215521
  C      -2.259466     -5.448031      1.662441
  N      -3.354619     -6.044857      2.473279
  C      -4.530879     -6.415788      1.625200
  C      -5.815539     -6.430880      2.452402
  N      -5.829382     -5.264393      3.317125
  Mo     -4.091250     -4.413305      3.870750
  N      -3.317816     -5.815631      5.100758
  C      -2.316118     -6.738214      4.580234
  C      -2.855103     -7.222672      3.239036
  H      -2.198592     -7.595230      5.262708
  H      -1.322043     -6.268748      4.465880
  H      -3.701628     -7.897938      3.416776
  H      -2.093675     -7.755918      2.646290
  H      -6.672281     -6.410508      1.756434
  H      -5.900784     -7.362926      3.044694
  H      -4.621911     -5.657711      0.836902
  H      -4.350921     -7.393695      1.147807
  H      -1.711980     -3.433448      1.119143
  H      -3.107656     -4.047985      0.216767
  H      -1.370683     -5.414153      2.307947
  H      -2.034358     -6.095323      0.797752
  C      -3.921934     -2.115880      2.092306
  C      -2.993533     -1.060887      1.931822
  C      -3.391151      0.268700      2.042495
  C      -4.718958      0.559536      2.332705
  F      -5.090713      1.858022      2.459230
  C      -5.685327     -0.443574      2.455265
  C      -7.107268     -0.192050      2.785766
  O      -7.993177     -0.995626      2.537166
  C      -7.562483      1.126193      3.484994
  O      -8.476237      1.770912      3.033562
  C      -6.823723      1.521107      4.785803
  O      -5.871386      0.921454      5.208190
  Cl     -7.477698      2.964356      5.552516
  C      -5.270971     -1.774677      2.279485
  C      -7.021139     -4.804592      3.898695
  C      -8.290899     -5.403337      3.931927
  C      -9.297710     -4.789083      4.697365
  C      -9.062572     -3.619002      5.413049
  F     -10.060873     -3.097686      6.157967
  C      -7.801027     -2.990574      5.375227
  C      -7.462112     -1.685972      5.992382
  O      -8.290545     -0.767848      6.073656
  C      -5.860542     -1.626103      6.710656
  O      -4.060551     -3.120761      6.622191
  C      -5.772561     -0.455600      7.564691
  O      -6.611290      0.213129      8.077327
  Cl     -3.939768     -0.089654      8.000491
  C      -6.850782     -3.615959      4.613238
  C      -3.584577     -5.784723      6.474662
  C      -2.570324     -5.700260      7.455315
  C      -2.882658     -5.519836      8.798126
  C      -4.216062     -5.389159      9.166279
  F      -4.506898     -5.151363     10.467931
  C      -5.257451     -5.503721      8.237018
  C      -6.670476     -5.286925      8.570174
  O      -7.603004     -5.481635      7.796877
  C      -7.106420     -4.710534      9.928878
  O      -7.587276     -5.381698     10.809627
  C      -6.977367     -3.167400     10.023275
  O      -6.075392     -2.556020      9.529690
  Cl     -8.272920     -2.416140     10.976099
  C      -4.919512     -5.746295      6.896201
  H      -1.942857     -1.284838      1.742259
  H      -2.678258      1.084763      1.922664
  H      -6.036773     -2.551274      2.270077
  H      -8.510223     -6.333744      3.406647
  H     -10.289389     -5.238327      4.761272
  H      -5.819828     -3.295490      4.504392
  H      -1.523332     -5.754063      7.152222
  H      -2.105519     -5.436866      9.557821
  H      -5.729769     -5.866978      6.175800
  N      -4.187858     -2.913852      5.189492
  N      -4.762510     -1.689850      5.628671
  H      -4.089126     -1.143398      6.186406
  H      -6.410661     -1.238283      5.493965
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.320250450529
  N      -3.552548     -3.458828      2.201067
  C      -2.635545     -4.027026      1.224902
  C      -2.265951     -5.442793      1.665202
  N      -3.360839     -6.043168      2.473460
  C      -4.538986     -6.408288      1.627262
  C      -5.820499     -6.424873      2.458404
  N      -5.831878     -5.260874      3.326717
  Mo     -4.089293     -4.415115      3.878708
  N      -3.315843     -5.820069      5.106386
  C      -2.317371     -6.742368      4.577696
  C      -2.861048     -7.222306      3.236795
  H      -2.197357     -7.602624      5.255785
  H      -1.322864     -6.274048      4.462102
  H      -3.708766     -7.895859      3.415580
  H      -2.102206     -7.757171      2.642039
  H      -6.679355     -6.402975      1.765037
  H      -5.904703     -7.358645      3.048216
  H      -4.630733     -5.646412      0.842645
  H      -4.363284     -7.384375      1.144361
  H      -1.713053     -3.428683      1.128231
  H      -3.112580     -4.034402      0.226756
  H      -1.376861     -5.413458      2.310631
  H      -2.040562     -6.085616      0.797143
  C      -3.916762     -2.106238      2.102806
  C      -2.985087     -1.053994      1.944788
  C      -3.379952      0.276977      2.049597
  C      -4.709454      0.571731      2.326600
  F      -5.079758      1.871766      2.441507
  C      -5.678968     -0.429176      2.445956
  C      -7.104729     -0.171912      2.752881
  O      -7.989125     -0.976676      2.501807
  C      -7.563366      1.154803      3.430661
  O      -8.465380      1.804048      2.961085
  C      -6.843305      1.544746      4.741857
  O      -5.906288      0.932104      5.181566
  Cl     -7.497255      2.991534      5.500443
  C      -5.265510     -1.761659      2.283261
  C      -7.024549     -4.805309      3.908520
  C      -8.292792     -5.407892      3.941333
  C      -9.302030     -4.798457      4.707774
  C      -9.072467     -3.627233      5.423397
  F     -10.073051     -3.108562      6.167281
  C      -7.813512     -2.994870      5.384574
  C      -7.471843     -1.686979      5.992187
  O      -8.297402     -0.770211      6.088464
  C      -5.872205     -1.627086      6.688575
  O      -4.028572     -3.142892      6.611798
  C      -5.792688     -0.455806      7.550096
  O      -6.639091      0.201885      8.063840
  Cl     -3.973926     -0.085710      8.004307
  C      -6.859317     -3.617419      4.624108
  C      -3.576757     -5.799185      6.481479
  C      -2.561058     -5.724879      7.461232
  C      -2.872128     -5.549260      8.805389
  C      -4.204425     -5.414414      9.175710
  F      -4.492957     -5.181351     10.478811
  C      -5.247671     -5.520419      8.247113
  C      -6.659768     -5.299076      8.581225
  O      -7.593584     -5.490928      7.808628
  C      -7.093207     -4.721506      9.940079
  O      -7.571978     -5.390527     10.823447
  C      -6.964366     -3.178020     10.029167
  O      -6.065978     -2.568682      9.526589
  Cl     -8.252751     -2.423426     10.988213
  C      -4.911412     -5.756510      6.904993
  H      -1.933922     -1.281060      1.761588
  H      -2.664376      1.091069      1.932292
  H      -6.032202     -2.537493      2.276942
  H      -8.508675     -6.338711      3.415490
  H     -10.291623     -5.252326      4.771644
  H      -5.829970     -3.291238      4.521308
  H      -1.514417     -5.779599      7.157177
  H      -2.094059     -5.472634      9.564843
  H      -5.722238     -5.865138      6.183323
  N      -4.170666     -2.907171      5.224838
  N      -4.756571     -1.683709      5.622535
  H      -4.078109     -1.140706      6.171834
  H      -6.419841     -1.227989      5.483961
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.335662885807
  N      -3.552168     -3.450864      2.213155
  C      -2.638081     -4.019442      1.234183
  C      -2.272270     -5.438239      1.668096
  N      -3.367415     -6.042152      2.473216
  C      -4.547022     -6.401348      1.628234
  C      -5.825738     -6.419243      2.462472
  N      -5.834392     -5.257801      3.334428
  Mo     -4.087736     -4.417523      3.885500
  N      -3.314544     -5.824674      5.111383
  C      -2.319350     -6.746906      4.575270
  C      -2.867650     -7.222531      3.234619
  H      -2.196973     -7.610209      5.249217
  H      -1.324335     -6.279878      4.458374
  H      -3.716704     -7.894174      3.414448
  H      -2.111351     -7.759343      2.638235
  H      -6.686351     -6.395687      1.771268
  H      -5.909433     -7.354694      3.049795
  H      -4.638923     -5.635669      0.847278
  H      -4.375503     -7.375591      1.139917
  H      -1.713191     -3.424608      1.137916
  H      -3.115972     -4.021167      0.236308
  H      -1.383286     -5.413630      2.313957
  H      -2.046100     -6.076553      0.796797
  C      -3.911633     -2.097482      2.113038
  C      -2.976720     -1.047814      1.958088
  C      -3.368974      0.284475      2.057790
  C      -4.700046      0.582957      2.321845
  F      -5.069112      1.884450      2.425019
  C      -5.672441     -0.415999      2.438232
  C      -7.101938     -0.153817      2.720298
  O      -7.984338     -0.960199      2.466527
  C      -7.564454      1.180739      3.376596
  O      -8.457509      1.831866      2.891531
  C      -6.863758      1.565152      4.698379
  O      -5.939725      0.941964      5.152682
  Cl     -7.528910      3.005137      5.458395
  C      -5.259893     -1.749650      2.288046
  C      -7.027887     -4.805609      3.915641
  C      -8.294875     -5.411395      3.947123
  C      -9.306556     -4.806486      4.714192
  C      -9.082325     -3.634319      5.429885
  F     -10.085138     -3.118137      6.172768
  C      -7.825650     -2.998655      5.390829
  C      -7.481178     -1.688163      5.989629
  O      -8.303204     -0.772075      6.100297
  C      -5.885636     -1.630217      6.667843
  O      -4.000257     -3.166759      6.604104
  C      -5.815646     -0.459862      7.538457
  O      -6.670373      0.184986      8.054210
  Cl     -4.011666     -0.085967      8.011949
  C      -6.867397     -3.618530      4.632537
  C      -3.569492     -5.811721      6.487618
  C      -2.552196     -5.747110      7.466418
  C      -2.862084     -5.576883      8.811914
  C      -4.193335     -5.436881      9.184291
  F      -4.479483     -5.208485     10.488782
  C      -5.238272     -5.532205      8.256078
  C      -6.649259     -5.304078      8.590551
  O      -7.584130     -5.490395      7.817805
  C      -7.079835     -4.727985      9.950718
  O      -7.562518     -5.395025     10.833309
  C      -6.941110     -3.185231     10.039979
  O      -6.039077     -2.582324      9.535640
  Cl     -8.221214     -2.421833     11.002174
  C      -4.903895     -5.762966      6.912836
  H      -1.925169     -1.277778      1.780704
  H      -2.650887      1.096721      1.942989
  H      -6.027497     -2.524692      2.284829
  H      -8.507505     -6.342279      3.420221
  H     -10.294281     -5.264511      4.777561
  H      -5.838809     -3.286580      4.537118
  H      -1.505928     -5.803428      7.161488
  H      -2.083170     -5.507186      9.571211
  H      -5.715223     -5.859041      6.189972
  N      -4.152993     -2.901704      5.262692
  N      -4.750508     -1.679317      5.620521
  H      -4.067861     -1.140837      6.163946
  H      -6.427759     -1.218256      5.474683
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.338341017657
  N      -3.536297     -3.443011      2.220311
  C      -2.627458     -4.016819      1.239527
  C      -2.271745     -5.438478      1.670689
  N      -3.371907     -6.036163      2.473101
  C      -4.553962     -6.387144      1.628461
  C      -5.831490     -6.402112      2.464028
  N      -5.833965     -5.241307      3.336710
  Mo     -4.083017     -4.411328      3.889162
  N      -3.315785     -5.822166      5.114625
  C      -2.326062     -6.748224      4.575055
  C      -2.880161     -7.219820      3.234979
  H      -2.205323     -7.613147      5.247365
  H      -1.329188     -6.285506      4.456116
  H      -3.734322     -7.884635      3.416019
  H      -2.128842     -7.763278      2.638252
  H      -6.692827     -6.376041      1.773727
  H      -5.917323     -7.337666      3.050948
  H      -4.643235     -5.618186      0.850417
  H      -4.387797     -7.360248      1.135988
  H      -1.698301     -3.428766      1.141806
  H      -3.107172     -4.014261      0.242467
  H      -1.383829     -5.421018      2.318174
  H      -2.048012     -6.076348      0.798342
  C      -3.901106     -2.093204      2.109574
  C      -2.975736     -1.032733      1.963352
  C      -3.380296      0.296317      2.040055
  C      -4.717690      0.584182      2.270082
  F      -5.101205      1.882984      2.353370
  C      -5.682969     -0.422229      2.371371
  C      -7.114082     -0.156166      2.633136
  O      -7.991120     -0.980253      2.420417
  C      -7.569390      1.173679      3.307972
  O      -8.445005      1.844437      2.817689
  C      -6.889342      1.532765      4.649014
  O      -5.996141      0.882020      5.127098
  Cl     -7.514347      3.003684      5.382894
  C      -5.257992     -1.757945      2.246280
  C      -7.023731     -4.784287      3.917802
  C      -8.292701     -5.386165      3.952211
  C      -9.304515     -4.774814      4.712451
  C      -9.076208     -3.603083      5.425111
  F     -10.078780     -3.078131      6.162177
  C      -7.814396     -2.977985      5.392209
  C      -7.466030     -1.675689      5.993768
  O      -8.286821     -0.760178      6.111306
  C      -5.873013     -1.624237      6.672239
  O      -3.981595     -3.166292      6.608988
  C      -5.805113     -0.459334      7.548399
  O      -6.661942      0.180903      8.065852
  Cl     -4.011848     -0.144381      8.095715
  C      -6.856958     -3.598125      4.636098
  C      -3.570506     -5.813024      6.491690
  C      -2.550751     -5.762140      7.469514
  C      -2.854755     -5.588321      8.815822
  C      -4.184000     -5.447469      9.194150
  F      -4.464290     -5.222840     10.500523
  C      -5.232630     -5.535606      8.269778
  C      -6.641955     -5.312045      8.614396
  O      -7.580518     -5.486616      7.843336
  C      -7.068080     -4.774682      9.991952
  O      -7.502202     -5.475341     10.873673
  C      -6.990211     -3.229862     10.105909
  O      -6.134238     -2.582315      9.578542
  Cl     -8.233341     -2.542401     11.168445
  C      -4.903557     -5.747963      6.921440
  H      -1.918309     -1.253579      1.811452
  H      -2.666694      1.113746      1.934461
  H      -6.018338     -2.540156      2.239207
  H      -8.506934     -6.319344      3.430174
  H     -10.294316     -5.228506      4.774541
  H      -5.823747     -3.267715      4.541633
  H      -1.505790     -5.827331      7.161954
  H      -2.072774     -5.524611      9.572485
  H      -5.717776     -5.830127      6.200145
  N      -4.126755     -2.889970      5.273419
  N      -4.728172     -1.668277      5.632068
  H      -4.046033     -1.134178      6.179640
  H      -6.410455     -1.202743      5.482801
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.340488617615
  N      -3.522976     -3.435658      2.226658
  C      -2.622944     -4.013278      1.240190
  C      -2.272404     -5.436344      1.669390
  N      -3.375071     -6.029583      2.471069
  C      -4.558965     -6.375334      1.627309
  C      -5.834553     -6.390686      2.464923
  N      -5.832823     -5.229883      3.337397
  Mo     -4.080208     -4.406434      3.891735
  N      -3.315619     -5.819322      5.116349
  C      -2.329456     -6.746740      4.572972
  C      -2.888883     -7.215436      3.233611
  H      -2.207660     -7.613024      5.243427
  H      -1.332066     -6.285723      4.451389
  H      -3.746878     -7.874775      3.416424
  H      -2.141872     -7.764482      2.636522
  H      -6.697343     -6.365112      1.776375
  H      -5.919222     -7.326026      3.052376
  H      -4.648123     -5.603060      0.852505
  H      -4.395808     -7.346631      1.130199
  H      -1.691224     -3.430090      1.136573
  H      -3.108790     -4.008094      0.246029
  H      -1.384662     -5.423039      2.317136
  H      -2.051036     -6.074022      0.796265
  C      -3.895754     -2.090391      2.110219
  C      -2.979050     -1.021419      1.972310
  C      -3.396741      0.303367      2.037945
  C      -4.739777      0.576063      2.248559
  F      -5.138902      1.870402      2.331690
  C      -5.695544     -0.440746      2.336553
  C      -7.124083     -0.183147      2.607270
  O      -8.003306     -1.010611      2.417856
  C      -7.566716      1.166768      3.245913
  O      -8.424555      1.844712      2.734030
  C      -6.885774      1.535491      4.585009
  O      -6.034242      0.853808      5.097553
  Cl     -7.440904      3.060637      5.261065
  C      -5.258345     -1.772780      2.220908
  C      -7.018780     -4.770606      3.920616
  C      -8.288208     -5.371362      3.959971
  C      -9.300940     -4.755033      4.713721
  C      -9.070814     -3.582068      5.421884
  F     -10.074544     -3.048971      6.151526
  C      -7.805309     -2.964603      5.394140
  C      -7.456599     -1.666507      5.996163
  O      -8.279051     -0.753892      6.119480
  C      -5.865610     -1.614178      6.672645
  O      -3.965385     -3.154520      6.611976
  C      -5.801507     -0.451067      7.550348
  O      -6.659709      0.195976      8.057130
  Cl     -4.019776     -0.183849      8.153003
  C      -6.847287     -3.584485      4.639965
  C      -3.571667     -5.815801      6.493666
  C      -2.550053     -5.781957      7.470865
  C      -2.848754     -5.604759      8.817843
  C      -4.176078     -5.459259      9.200933
  F      -4.450625     -5.235190     10.508576
  C      -5.227681     -5.537045      8.279077
  C      -6.635184     -5.311477      8.630175
  O      -7.574286     -5.449594      7.852392
  C      -7.059199     -4.822302     10.025925
  O      -7.448911     -5.559544     10.898485
  C      -7.031070     -3.279564     10.177938
  O      -6.246386     -2.585982      9.601138
  Cl     -8.244672     -2.663269     11.315633
  C      -4.902842     -5.730871      6.926582
  H      -1.917007     -1.232974      1.839784
  H      -2.689591      1.127758      1.943594
  H      -6.009530     -2.563754      2.216293
  H      -8.502178     -6.308202      3.444447
  H     -10.291785     -5.206484      4.775470
  H      -5.810562     -3.251875      4.544961
  H      -1.506440     -5.858234      7.161265
  H      -2.064186     -5.548681      9.572435
  H      -5.719223     -5.795641      6.205934
  N      -4.104046     -2.872527      5.280921
  N      -4.713498     -1.652783      5.638876
  H      -4.032586     -1.118465      6.189489
  H      -6.401380     -1.189087      5.487076
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.342478371134
  N      -3.510543     -3.430058      2.233406
  C      -2.619251     -4.010726      1.240930
  C      -2.270925     -5.434082      1.668731
  N      -3.375742     -6.024551      2.468506
  C      -4.559437     -6.366624      1.623484
  C      -5.834173     -6.384367      2.461220
  N      -5.831038     -5.223672      3.333620
  Mo     -4.079378     -4.404277      3.893147
  N      -3.317257     -5.818468      5.117707
  C      -2.333008     -6.746167      4.571653
  C      -2.894868     -7.212272      3.232060
  H      -2.209915     -7.613759      5.240212
  H      -1.335582     -6.285556      4.448839
  H      -3.756174     -7.867150      3.415139
  H      -2.150547     -7.765835      2.635722
  H      -6.697651     -6.360439      1.773493
  H      -5.916954     -7.319634      3.049022
  H      -4.648411     -5.590863      0.852099
  H      -4.396983     -7.335653      1.121658
  H      -1.686202     -3.430672      1.130533
  H      -3.111867     -4.004247      0.250028
  H      -1.383950     -5.422880      2.317505
  H      -2.049975     -6.071399      0.795250
  C      -3.890047     -2.088128      2.110801
  C      -2.978673     -1.014247      1.979927
  C      -3.405537      0.307960      2.033967
  C      -4.753309      0.571406      2.226341
  F      -5.162230      1.863299      2.304794
  C      -5.703588     -0.451951      2.305223
  C      -7.130422     -0.202591      2.589130
  O      -8.006828     -1.039730      2.432194
  C      -7.569344      1.157426      3.206281
  O      -8.424474      1.833121      2.686635
  C      -6.883766      1.536955      4.540018
  O      -6.062699      0.836854      5.077436
  Cl     -7.381490      3.100915      5.168883
  C      -5.256666     -1.781214      2.198812
  C      -7.014459     -4.764289      3.918688
  C      -8.283374     -5.365716      3.960841
  C      -9.298333     -4.747115      4.708884
  C      -9.068722     -3.573326      5.414723
  F     -10.074818     -3.035268      6.137319
  C      -7.800761     -2.960700      5.393591
  C      -7.453678     -1.665927      5.999199
  O      -8.278400     -0.757163      6.130420
  C      -5.864873     -1.611483      6.672997
  O      -3.954023     -3.147536      6.612629
  C      -5.805258     -0.451067      7.553744
  O      -6.663432      0.208941      8.044131
  Cl     -4.035344     -0.224358      8.201271
  C      -6.840570     -3.578778      4.640557
  C      -3.576117     -5.820036      6.494424
  C      -2.553684     -5.805824      7.471469
  C      -2.848377     -5.622815      8.818494
  C      -4.173614     -5.462933      9.203514
  F      -4.443040     -5.233100     10.511177
  C      -5.226895     -5.525784      8.282144
  C      -6.631525     -5.283855      8.633783
  O      -7.568887     -5.376985      7.847188
  C      -7.055220     -4.844009     10.045009
  O      -7.422885     -5.613770     10.898941
  C      -7.069639     -3.305236     10.233102
  O      -6.319780     -2.576854      9.652116
  Cl     -8.196043     -2.762145     11.491301
  C      -4.904881     -5.709319      6.927791
  H      -1.913346     -1.220181      1.864926
  H      -2.702373      1.136650      1.948018
  H      -6.001427     -2.578103      2.198311
  H      -8.495286     -6.305668      3.450136
  H     -10.289527     -5.197990      4.768966
  H      -5.802102     -3.241933      4.545976
  H      -1.511519     -5.897535      7.161148
  H      -2.062274     -5.576622      9.572156
  H      -5.722112     -5.753619      6.206505
  N      -4.086870     -2.857796      5.287582
  N      -4.706036     -1.641734      5.645905
  H      -4.026971     -1.107110      6.200046
  H      -6.399838     -1.181984      5.492521
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.344322316110
  N      -3.499893     -3.425605      2.239157
  C      -2.618509     -4.010353      1.240274
  C      -2.270682     -5.433129      1.667951
  N      -3.376852     -6.020927      2.466684
  C      -4.560112     -6.360777      1.620560
  C      -5.833967     -6.380434      2.458279
  N      -5.829621     -5.219048      3.329546
  Mo     -4.079614     -4.402568      3.893792
  N      -3.318963     -5.816744      5.119608
  C      -2.336223     -6.744453      4.571215
  C      -2.900388     -7.209534      3.232021
  H      -2.210916     -7.612735      5.238486
  H      -1.339172     -6.283584      4.446409
  H      -3.764489     -7.860357      3.416131
  H      -2.158522     -7.767529      2.636681
  H      -6.698258     -6.358928      1.771532
  H      -5.914564     -7.315100      3.047292
  H      -4.649155     -5.582270      0.851902
  H      -4.397763     -7.327906      1.114957
  H      -1.684789     -3.432862      1.121038
  H      -3.119256     -4.004211      0.253356
  H      -1.384239     -5.422469      2.317418
  H      -2.049912     -6.070864      0.794751
  C      -3.884681     -2.086058      2.108522
  C      -2.976064     -1.009862      1.981985
  C      -3.408272      0.311329      2.021507
  C      -4.759662      0.571121      2.195472
  F      -5.173286      1.862597      2.261512
  C      -5.708016     -0.455100      2.270724
  C      -7.133837     -0.210720      2.567252
  O      -8.003112     -1.062022      2.452917
  C      -7.573596      1.151370      3.179331
  O      -8.437822      1.819806      2.665420
  C      -6.880442      1.538974      4.506196
  O      -6.079731      0.828198      5.058838
  Cl     -7.334712      3.128280      5.101921
  C      -5.254106     -1.783439      2.176448
  C      -7.010389     -4.759534      3.917273
  C      -8.278443     -5.361994      3.962393
  C      -9.295048     -4.741988      4.706511
  C      -9.065728     -3.567417      5.410532
  F     -10.073512     -3.025837      6.127881
  C      -7.795864     -2.958370      5.394545
  C      -7.450266     -1.666218      6.004495
  O      -8.277132     -0.761651      6.145156
  C      -5.862684     -1.609228      6.673975
  O      -3.940702     -3.140777      6.611648
  C      -5.806218     -0.451497      7.557325
  O      -6.661829      0.225474      8.029389
  Cl     -4.047739     -0.264013      8.244283
  C      -6.833946     -3.574594      4.641575
  C      -3.579557     -5.822526      6.495646
  C      -2.556084     -5.828976      7.471947
  C      -2.845584     -5.641415      8.819402
  C      -4.167937     -5.464518      9.207211
  F      -4.430894     -5.230445     10.515400
  C      -5.223236     -5.509557      8.286830
  C      -6.624100     -5.249287      8.640210
  O      -7.559341     -5.295435      7.846857
  C      -7.049606     -4.867431     10.066496
  O      -7.388487     -5.674163     10.897978
  C      -7.108205     -3.335969     10.299088
  O      -6.434864     -2.563774      9.681566
  Cl     -8.186258     -2.865422     11.627025
  C      -4.904958     -5.684984      6.930618
  H      -1.908545     -1.213369      1.882961
  H      -2.706736      1.141800      1.939771
  H      -5.995209     -2.583574      2.181674
  H      -8.488418     -6.304595      3.455734
  H     -10.286352     -5.192719      4.765646
  H      -5.794832     -3.233149      4.546484
  H      -1.515936     -5.937593      7.160281
  H      -2.057555     -5.607083      9.571691
  H      -5.723293     -5.708711      6.209531
  N      -4.069292     -2.842812      5.292267
  N      -4.698097     -1.630847      5.651973
  H      -4.020510     -1.095925      6.208808
  H      -6.398635     -1.175314      5.498885
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.345893060606
  N      -3.490105     -3.420473      2.246253
  C      -2.618348     -4.007974      1.240654
  C      -2.270210     -5.430377      1.667712
  N      -3.378016     -6.017396      2.464150
  C      -4.559757     -6.355622      1.615484
  C      -5.833591     -6.377971      2.451867
  N      -5.828946     -5.216499      3.322784
  Mo     -4.082205     -4.402240      3.893887
  N      -3.322148     -5.816804      5.120526
  C      -2.339818     -6.743093      4.569624
  C      -2.905110     -7.206956      3.230428
  H      -2.211606     -7.612362      5.235052
  H      -1.343620     -6.280762      4.443448
  H      -3.771272     -7.854918      3.414675
  H      -2.164713     -7.767856      2.635924
  H      -6.698188     -6.358251      1.765525
  H      -5.912493     -7.312433      3.041381
  H      -4.648595     -5.574269      0.849664
  H      -4.396142     -7.320593      1.106130
  H      -1.684473     -3.432332      1.112950
  H      -3.127146     -4.001837      0.257768
  H      -1.384905     -5.419756      2.318712
  H      -2.048208     -6.067787      0.794612
  C      -3.880993     -2.083571      2.109282
  C      -2.974842     -1.004930      1.989994
  C      -3.412273      0.314796      2.018292
  C      -4.766697      0.569293      2.175386
  F      -5.185880      1.859724      2.232077
  C      -5.712129     -0.460433      2.246858
  C      -7.136121     -0.222058      2.555222
  O      -8.002675     -1.079129      2.464990
  C      -7.574456      1.148485      3.146845
  O      -8.441005      1.811153      2.629527
  C      -6.875704      1.546046      4.467835
  O      -6.103978      0.821162      5.043103
  Cl     -7.280188      3.162771      5.023526
  C      -5.252182     -1.787111      2.160299
  C      -7.007332     -4.757900      3.913889
  C      -8.274122     -5.362143      3.960021
  C      -9.292480     -4.743442      4.702303
  C      -9.064248     -3.569126      5.406608
  F     -10.073685     -3.027229      6.120915
  C      -7.793665     -2.961359      5.395416
  C      -7.452067     -1.671607      6.012081
  O      -8.282667     -0.772992      6.163148
  C      -5.865448     -1.610299      6.677125
  O      -3.931278     -3.134793      6.611692
  C      -5.812993     -0.455415      7.563865
  O      -6.665053      0.239375      8.016350
  Cl     -4.071447     -0.315682      8.301950
  C      -6.829168     -3.574537      4.641974
  C      -3.583339     -5.826784      6.496053
  C      -2.558700     -5.857015      7.470901
  C      -2.841971     -5.666557      8.819282
  C      -4.160289     -5.467465      9.210411
  F      -4.415566     -5.230737     10.519641
  C      -5.217725     -5.490618      8.291410
  C      -6.613201     -5.206745      8.646916
  O      -7.545523     -5.203222      7.848615
  C      -7.040539     -4.874431     10.083441
  O      -7.355928     -5.711029     10.894455
  C      -7.139479     -3.350351     10.348869
  O      -6.531504     -2.544388      9.706547
  Cl     -8.145630     -2.941696     11.751540
  C      -4.904412     -5.661559      6.933526
  H      -1.905422     -1.205739      1.906716
  H      -2.712952      1.147649      1.942309
  H      -5.989567     -2.590691      2.168257
  H      -8.481677     -6.305860      3.454408
  H     -10.283532     -5.194903      4.759775
  H      -5.790768     -3.227113      4.546775
  H      -1.521338     -5.985031      7.157344
  H      -2.051893     -5.647625      9.569975
  H      -5.724177     -5.664452      6.213612
  N      -4.055833     -2.828214      5.297787
  N      -4.695879     -1.621369      5.660057
  H      -4.020613     -1.085792      6.219914
  H      -6.403369     -1.172104      5.507727
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.347131338850
  N      -3.481675     -3.415896      2.253271
  C      -2.620694     -4.006240      1.240177
  C      -2.271216     -5.427769      1.666930
  N      -3.380127     -6.014694      2.461576
  C      -4.560162     -6.352758      1.610439
  C      -5.834299     -6.377176      2.445182
  N      -5.829046     -5.215215      3.315181
  Mo     -4.086456     -4.402881      3.892969
  N      -3.325465     -5.816920      5.121281
  C      -2.342633     -6.740606      4.567590
  C      -2.909125     -7.204428      3.228880
  H      -2.210121     -7.610568      5.231260
  H      -1.347952     -6.275568      4.439370
  H      -3.776440     -7.850558      3.413879
  H      -2.169803     -7.767346      2.634901
  H      -6.699180     -6.359089      1.759246
  H      -5.911914     -7.311104      3.035648
  H      -4.648953     -5.569485      0.846550
  H      -4.394544     -7.316025      1.098541
  H      -1.687195     -3.432082      1.102551
  H      -3.138708     -4.000860      0.262018
  H      -1.386955     -5.416178      2.319298
  H      -2.047691     -6.065039      0.794158
  C      -3.878291     -2.081257      2.109498
  C      -2.973562     -1.000898      1.998065
  C      -3.414409      0.317944      2.016447
  C      -4.771208      0.569151      2.157438
  F      -5.193682      1.859195      2.205577
  C      -5.715285     -0.462442      2.224961
  C      -7.138542     -0.228182      2.540402
  O      -8.001441     -1.090916      2.470492
  C      -7.577870      1.146446      3.120839
  O      -8.447329      1.804980      2.603504
  C      -6.873248      1.550705      4.436535
  O      -6.126478      0.814617      5.029609
  Cl     -7.227107      3.191323      4.955190
  C      -5.250612     -1.788303      2.145518
  C      -7.004413     -4.757256      3.911398
  C      -8.269919     -5.363151      3.958866
  C      -9.288890     -4.746550      4.701630
  C      -9.060726     -3.573021      5.407058
  F     -10.070612     -3.032379      6.121060
  C      -7.789980     -2.965454      5.398573
  C      -7.452889     -1.677919      6.023266
  O      -8.287726     -0.786322      6.186767
  C      -5.866173     -1.611277      6.681801
  O      -3.919931     -3.127517      6.610409
  C      -5.816161     -0.459225      7.571551
  O      -6.659752      0.261530      7.998705
  Cl     -4.092291     -0.369062      8.356908
  C      -6.823667     -3.575644      4.643301
  C      -3.585127     -5.830633      6.496524
  C      -2.559261     -5.885065      7.469219
  C      -2.835345     -5.692356      8.818838
  C      -4.148862     -5.470978      9.214376
  F      -4.395392     -5.231640     10.524780
  C      -5.208790     -5.473399      8.297705
  C      -6.598517     -5.167795      8.656471
  O      -7.529006     -5.126952      7.856712
  C      -7.029073     -4.876350     10.099255
  O      -7.323348     -5.737009     10.892866
  C      -7.180122     -3.359678     10.383220
  O      -6.639914     -2.523902      9.718457
  Cl     -8.135898     -3.003853     11.834526
  C      -4.901324     -5.640785      6.937976
  H      -1.902735     -1.200216      1.930243
  H      -2.716271      1.152294      1.946532
  H      -5.985602     -2.594111      2.154559
  H      -8.475805     -6.306998      3.452815
  H     -10.279662     -5.198681      4.758326
  H      -5.786987     -3.221508      4.546703
  H      -1.525220     -6.032099      7.153105
  H      -2.042937     -5.688948      9.567313
  H      -5.723173     -5.626018      6.220570
  N      -4.041861     -2.812151      5.301611
  N      -4.693550     -1.611136      5.668063
  H      -4.020562     -1.074856      6.230139
  H      -6.408327     -1.169152      5.518877
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.348055959663
  N      -3.473576     -3.411258      2.261525
  C      -2.622642     -4.004065      1.241431
  C      -2.271064     -5.424312      1.668358
  N      -3.381681     -6.012195      2.459821
  C      -4.558235     -6.351736      1.604223
  C      -5.834477     -6.378087      2.434749
  N      -5.830282     -5.215481      3.303596
  Mo     -4.093975     -4.404504      3.891125
  N      -3.332222     -5.817402      5.122702
  C      -2.346889     -6.737032      4.567341
  C      -2.912107     -7.201581      3.228498
  H      -2.209938     -7.607609      5.229273
  H      -1.354183     -6.267977      4.438456
  H      -3.779867     -7.847195      3.413024
  H      -2.172262     -7.765176      2.635778
  H      -6.698328     -6.361382      1.747604
  H      -5.912102     -7.311378      3.026136
  H      -4.645991     -5.567473      0.841204
  H      -4.388660     -7.313714      1.091290
  H      -1.689982     -3.430716      1.094336
  H      -3.149289     -3.999938      0.267791
  H      -1.388763     -5.410755      2.323314
  H      -2.044337     -6.061403      0.796346
  C      -3.875188     -2.078496      2.110658
  C      -2.970386     -0.997595      2.008584
  C      -3.412708      0.320919      2.017521
  C      -4.771416      0.570569      2.142276
  F      -5.195135      1.860793      2.182283
  C      -5.715614     -0.461467      2.205407
  C      -7.138626     -0.229830      2.525256
  O      -7.998928     -1.096226      2.468434
  C      -7.579983      1.148049      3.096080
  O      -8.456999      1.799185      2.582559
  C      -6.871566      1.558089      4.407861
  O      -6.153184      0.811174      5.021372
  Cl     -7.193900      3.212831      4.902187
  C      -5.247950     -1.787042      2.131984
  C      -7.003199     -4.758562      3.904682
  C      -8.267221     -5.366598      3.951542
  C      -9.287310     -4.753629      4.695382
  C      -9.059978     -3.581584      5.403553
  F     -10.070738     -3.044338      6.118150
  C      -7.789778     -2.972640      5.398166
  C      -7.459426     -1.687597      6.033756
  O      -8.299893     -0.804989      6.210969
  C      -5.872212     -1.613712      6.685637
  O      -3.913063     -3.119666      6.607476
  C      -5.825002     -0.464583      7.578578
  O      -6.656595      0.285810      7.977070
  Cl     -4.127000     -0.436708      8.423639
  C      -6.820770     -3.579027      4.641003
  C      -3.590152     -5.835008      6.497435
  C      -2.564345     -5.913444      7.468619
  C      -2.834014     -5.719273      8.819422
  C      -4.142422     -5.475914      9.218772
  F      -4.381035     -5.234108     10.530144
  C      -5.204107     -5.459128      8.304040
  C      -6.588083     -5.134011      8.666154
  O      -7.517281     -5.062436      7.866627
  C      -7.022219     -4.869109     10.111535
  O      -7.290053     -5.745123     10.897681
  C      -7.187029     -3.356856     10.412836
  O      -6.689366     -2.507385      9.732510
  Cl     -8.082521     -3.027608     11.908179
  C      -4.901697     -5.624100      6.942691
  H      -1.898647     -1.196953      1.956464
  H      -2.714722      1.155896      1.954213
  H      -5.981793     -2.593974      2.139926
  H      -8.470789     -6.309697      3.443176
  H     -10.277641     -5.206895      4.750335
  H      -5.786774     -3.217076      4.543278
  H      -1.533641     -6.078620      7.150603
  H      -2.039928     -5.731452      9.566035
  H      -5.725463     -5.594823      6.227945
  N      -4.032290     -2.794976      5.303253
  N      -4.697282     -1.600685      5.674985
  H      -4.027482     -1.063347      6.239712
  H      -6.419824     -1.168003      5.529491
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.348749855172
  N      -3.468892     -3.407776      2.267202
  C      -2.630065     -4.003004      1.238571
  C      -2.275372     -5.421811      1.665360
  N      -3.385689     -6.010844      2.456777
  C      -4.560528     -6.353668      1.599571
  C      -5.837623     -6.380441      2.428124
  N      -5.832198     -5.216470      3.294880
  Mo     -4.101553     -4.406833      3.887614
  N      -3.335104     -5.816995      5.122172
  C      -2.347539     -6.731895      4.563662
  C      -2.914235     -7.198829      3.226438
  H      -2.204012     -7.602491      5.224133
  H      -1.357554     -6.258022      4.431563
  H      -3.781101     -7.844995      3.413053
  H      -2.174598     -7.762367      2.633391
  H      -6.701654     -6.364854      1.741324
  H      -5.914915     -7.312546      3.021308
  H      -4.648774     -5.570030      0.835946
  H      -4.387597     -7.315339      1.087342
  H      -1.698818     -3.430258      1.080028
  H      -3.167249     -4.000458      0.270613
  H      -1.393506     -5.405780      2.320822
  H      -2.047411     -6.059109      0.793912
  C      -3.874998     -2.076541      2.110461
  C      -2.969534     -0.995722      2.016801
  C      -3.412122      0.322810      2.020081
  C      -4.772061      0.571744      2.133286
  F      -5.195855      1.862391      2.168490
  C      -5.716999     -0.460012      2.192323
  C      -7.140241     -0.230595      2.514125
  O      -7.999899     -1.097826      2.458684
  C      -7.584154      1.148947      3.078512
  O      -8.463891      1.797083      2.566276
  C      -6.875459      1.559949      4.389691
  O      -6.176038      0.805479      5.014811
  Cl     -7.142155      3.235236      4.847834
  C      -5.247588     -1.785381      2.121602
  C      -7.000634     -4.759562      3.904518
  C      -8.263247     -5.369197      3.954228
  C      -9.281506     -4.760074      4.703322
  C      -9.052094     -3.589943      5.414252
  F     -10.060899     -3.057078      6.134055
  C      -7.782745     -2.978965      5.407022
  C      -7.457633     -1.696567      6.054391
  O      -8.303399     -0.823854      6.249271
  C      -5.867407     -1.614994      6.693821
  O      -3.897024     -3.110191      6.601197
  C      -5.818779     -0.468697      7.589678
  O      -6.632176      0.314659      7.961073
  Cl     -4.147168     -0.506421      8.486959
  C      -6.813695     -3.581942      4.644326
  C      -3.587319     -5.837036      6.496885
  C      -2.560613     -5.934429      7.465370
  C      -2.822953     -5.738158      8.817431
  C      -4.126157     -5.476530      9.221984
  F      -4.355936     -5.231978     10.534315
  C      -5.190702     -5.446708      8.310578
  C      -6.570598     -5.110911      8.677185
  O      -7.502196     -5.030487      7.880666
  C      -7.007070     -4.859992     10.122965
  O      -7.278265     -5.744712     10.898086
  C      -7.231562     -3.352936     10.412714
  O      -6.772742     -2.489270      9.723382
  Cl     -8.150000     -3.048502     11.899467
  C      -4.894438     -5.611628      6.947694
  H      -1.897409     -1.196016      1.977027
  H      -2.713918      1.157999      1.962715
  H      -5.981044     -2.592780      2.127690
  H      -8.466570     -6.310912      3.443243
  H     -10.271329     -5.214192      4.759868
  H      -5.783371     -3.211931      4.541771
  H      -1.533208     -6.113962      7.144507
  H      -2.026443     -5.762362      9.561170
  H      -5.721369     -5.574233      6.237007
  N      -4.017664     -2.776057      5.301563
  N      -4.694950     -1.588852      5.681960
  H      -4.026799     -1.050754      6.247168
  H      -6.425209     -1.165938      5.546738
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.349895756541
  N      -3.480828     -3.413099      2.262758
  C      -2.634605     -4.004515      1.238389
  C      -2.278968     -5.422965      1.665532
  N      -3.387098     -6.014457      2.459995
  C      -4.561711     -6.364326      1.604647
  C      -5.839643     -6.388256      2.432721
  N      -5.834666     -5.223084      3.298256
  Mo     -4.106465     -4.409064      3.885678
  N      -3.334315     -5.814665      5.122422
  C      -2.343399     -6.727039      4.565683
  C      -2.908224     -7.198664      3.229872
  H      -2.198635     -7.596322      5.227463
  H      -1.354642     -6.250725      4.433821
  H      -3.770570     -7.850502      3.417752
  H      -2.165429     -7.757259      2.636167
  H      -6.703340     -6.371756      1.745659
  H      -5.918551     -7.319529      3.026887
  H      -4.651156     -5.586014      0.835738
  H      -4.386361     -7.328970      1.099021
  H      -1.704282     -3.428657      1.086251
  H      -3.165998     -4.002192      0.267265
  H      -1.395950     -5.405469      2.319504
  H      -2.051820     -6.060677      0.794312
  C      -3.881187     -2.078209      2.110137
  C      -2.969480     -1.002838      2.014685
  C      -3.402913      0.318914      2.028325
  C      -4.760344      0.577491      2.153503
  F      -5.173561      1.871143      2.198658
  C      -5.712422     -0.447165      2.213054
  C      -7.138991     -0.209734      2.519921
  O      -8.001821     -1.071969      2.439884
  C      -7.587747      1.162354      3.100843
  O      -8.453800      1.822874      2.580885
  C      -6.867733      1.579953      4.403014
  O      -6.160463      0.831591      5.024885
  Cl     -7.180726      3.240527      4.887401
  C      -5.251419     -1.775402      2.133763
  C      -7.002812     -4.764829      3.910390
  C      -8.264541     -5.375766      3.962067
  C      -9.280095     -4.769858      4.718039
  C      -9.049733     -3.599773      5.430508
  F     -10.055906     -3.072730      6.157712
  C      -7.783606     -2.982055      5.414546
  C      -7.460040     -1.694572      6.062550
  O      -8.306565     -0.823683      6.260034
  C      -5.865070     -1.607171      6.691810
  O      -3.895108     -3.102132      6.593235
  C      -5.809318     -0.455821      7.582640
  O      -6.616223      0.331367      7.960299
  Cl     -4.108695     -0.462431      8.425749
  C      -6.815800     -3.585698      4.646952
  C      -3.583402     -5.834184      6.496495
  C      -2.560041     -5.906995      7.470027
  C      -2.832195     -5.716248      8.820830
  C      -4.141387     -5.480285      9.219883
  F      -4.381945     -5.243282     10.531675
  C      -5.202848     -5.476286      8.304320
  C      -6.592746     -5.178913      8.667647
  O      -7.531627     -5.162899      7.875390
  C      -7.028057     -4.867630     10.102589
  O      -7.286783     -5.720035     10.917230
  C      -7.202571     -3.347213     10.351771
  O      -6.672963     -2.517870      9.673287
  Cl     -8.179161     -2.975163     11.785427
  C      -4.898085     -5.644682      6.943185
  H      -1.899197     -1.210478      1.964180
  H      -2.699279      1.149388      1.968935
  H      -5.991011     -2.577282      2.134259
  H      -8.468696     -6.316044      3.448716
  H     -10.268702     -5.226079      4.778753
  H      -5.789683     -3.213748      4.540614
  H      -1.527274     -6.063466      7.154249
  H      -2.038480     -5.724697      9.567914
  H      -5.724006     -5.633273      6.230376
  N      -4.026002     -2.771305      5.295348
  N      -4.702460     -1.583644      5.672880
  H      -4.032367     -1.043353      6.232325
  H      -6.431480     -1.163850      5.546457
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.350192399250
  N      -3.483905     -3.418100      2.261504
  C      -2.628370     -4.006042      1.242908
  C      -2.277618     -5.426515      1.668871
  N      -3.389394     -6.019107      2.460252
  C      -4.560919     -6.369758      1.599868
  C      -5.843468     -6.390181      2.421766
  N      -5.837566     -5.226667      3.289492
  Mo     -4.114107     -4.415272      3.879548
  N      -3.340939     -5.820243      5.118936
  C      -2.349762     -6.733877      4.564488
  C      -2.911518     -7.204609      3.228156
  H      -2.209525     -7.603843      5.226344
  H      -1.359582     -6.259745      4.435693
  H      -3.773168     -7.858351      3.413132
  H      -2.166695     -7.759889      2.633958
  H      -6.703973     -6.366595      1.731026
  H      -5.929672     -7.322378      3.013341
  H      -4.645713     -5.594139      0.827625
  H      -4.382756     -7.336232      1.099153
  H      -1.696993     -3.429271      1.101727
  H      -3.150529     -4.000548      0.266806
  H      -1.396587     -5.411776      2.325581
  H      -2.049855     -6.063872      0.797749
  C      -3.879536     -2.080476      2.113094
  C      -2.962432     -1.008985      2.025904
  C      -3.389020      0.314340      2.048129
  C      -4.745151      0.576998      2.175305
  F      -5.152468      1.872034      2.229802
  C      -5.701417     -0.443504      2.227016
  C      -7.131101     -0.200704      2.511850
  O      -7.999094     -1.054496      2.400164
  C      -7.578875      1.173497      3.088026
  O      -8.473824      1.809702      2.586894
  C      -6.930377      1.547151      4.441286
  O      -6.207849      0.799378      5.047461
  Cl     -7.278669      3.190677      4.964671
  C      -5.247523     -1.773237      2.138724
  C      -7.003912     -4.764531      3.905185
  C      -8.266101     -5.374574      3.956607
  C      -9.277811     -4.773503      4.720784
  C      -9.043351     -3.607813      5.439824
  F     -10.045447     -3.089046      6.177952
  C      -7.779667     -2.985427      5.417748
  C      -7.461232     -1.699758      6.079030
  O      -8.311653     -0.836345      6.288800
  C      -5.860385     -1.608594      6.697107
  O      -3.891340     -3.104564      6.584037
  C      -5.796505     -0.457700      7.589637
  O      -6.593501      0.334851      7.975051
  Cl     -4.085861     -0.475619      8.418524
  C      -6.813535     -3.587167      4.642603
  C      -3.583480     -5.833386      6.493039
  C      -2.561895     -5.893047      7.468329
  C      -2.838218     -5.700964      8.818110
  C      -4.148687     -5.467466      9.214092
  F      -4.392703     -5.225108     10.524128
  C      -5.208025     -5.471060      8.295652
  C      -6.600955     -5.183842      8.653874
  O      -7.539735     -5.187619      7.860669
  C      -7.043486     -4.836445     10.078802
  O      -7.309286     -5.668391     10.912142
  C      -7.154965     -3.307735     10.313004
  O      -6.550456     -2.509068      9.661386
  Cl     -8.172863     -2.881247     11.703038
  C      -4.900501     -5.657056      6.937954
  H      -1.893378     -1.222294      1.972843
  H      -2.682048      1.142289      1.993538
  H      -5.991202     -2.571430      2.125860
  H      -8.472169     -6.311172      3.437426
  H     -10.266097     -5.230037      4.783996
  H      -5.792191     -3.212633      4.533001
  H      -1.527047     -6.042962      7.155724
  H      -2.045797     -5.704088      9.566617
  H      -5.726500     -5.660672      6.225045
  N      -4.029451     -2.766886      5.288990
  N      -4.708290     -1.580492      5.672148
  H      -4.038252     -1.042534      6.230248
  H      -6.437295     -1.163580      5.557247
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.351415235152
  N      -3.481648     -3.415529      2.264042
  C      -2.633610     -4.005042      1.239788
  C      -2.279743     -5.424397      1.666198
  N      -3.391613     -6.018000      2.457000
  C      -4.561927     -6.368688      1.594568
  C      -5.844490     -6.391828      2.415643
  N      -5.837770     -5.227962      3.282414
  Mo     -4.118174     -4.417545      3.875820
  N      -3.341908     -5.821520      5.116426
  C      -2.350748     -6.733819      4.559799
  C      -2.914555     -7.204443      3.224549
  H      -2.207334     -7.603965      5.220862
  H      -1.361594     -6.258119      4.428412
  H      -3.777003     -7.856885      3.410611
  H      -2.171169     -7.760773      2.629528
  H      -6.705459     -6.369311      1.725442
  H      -5.929102     -7.323727      3.007898
  H      -4.647175     -5.591364      0.824036
  H      -4.381572     -7.333659      1.091942
  H      -1.703438     -3.428264      1.090770
  H      -3.162864     -4.001431      0.267457
  H      -1.399433     -5.407612      2.323718
  H      -2.050666     -6.062120      0.795731
  C      -3.882362     -2.079961      2.112189
  C      -2.967583     -1.005905      2.030325
  C      -3.397762      0.316048      2.048627
  C      -4.755217      0.573866      2.167336
  F      -5.167164      1.867740      2.218884
  C      -5.708468     -0.449474      2.215659
  C      -7.136772     -0.210792      2.505898
  O      -8.001882     -1.070023      2.414965
  C      -7.580271      1.168696      3.071095
  O      -8.452166      1.821161      2.550835
  C      -6.891185      1.571047      4.396011
  O      -6.225696      0.805005      5.043767
  Cl     -7.196387      3.235798      4.879794
  C      -5.250853     -1.778006      2.130437
  C      -7.001427     -4.766102      3.903541
  C      -8.262772     -5.377519      3.958178
  C      -9.273245     -4.778088      4.724361
  C      -9.037268     -3.613294      5.443869
  F     -10.038284     -3.096463      6.184714
  C      -7.773733     -2.990899      5.421635
  C      -7.460049     -1.708178      6.090779
  O      -8.314474     -0.851765      6.311657
  C      -5.858461     -1.613469      6.703462
  O      -3.883402     -3.104473      6.581872
  C      -5.795004     -0.466440      7.600652
  O      -6.585116      0.336399      7.977249
  Cl     -4.108394     -0.533481      8.476669
  C      -6.808335     -3.590332      4.643185
  C      -3.579645     -5.832811      6.491262
  C      -2.554539     -5.909595      7.461764
  C      -2.821960     -5.713197      8.812862
  C      -4.127159     -5.459615      9.215259
  F      -4.361085     -5.211226     10.525859
  C      -5.190176     -5.445796      8.301026
  C      -6.576882     -5.137233      8.663330
  O      -7.514494     -5.106567      7.869082
  C      -7.024366     -4.836268     10.096806
  O      -7.298439     -5.695064     10.899638
  C      -7.222744     -3.318661     10.347676
  O      -6.684234     -2.479090      9.688521
  Cl     -8.233390     -2.965840     11.763706
  C      -4.891160     -5.633494      6.942123
  H      -1.897689     -1.216872      1.985343
  H      -2.693158      1.146271      1.998255
  H      -5.992057     -2.578613      2.117947
  H      -8.468517     -6.314060      3.438871
  H     -10.261262     -5.234955      4.789164
  H      -5.788518     -3.210132      4.531268
  H      -1.523548     -6.076629      7.144939
  H      -2.026130     -5.728213      9.557610
  H      -5.720620     -5.623992      6.233305
  N      -4.020669     -2.757294      5.290687
  N      -4.707212     -1.576075      5.679815
  H      -4.039036     -1.039168      6.240597
  H      -6.439804     -1.164252      5.569032
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.351639100851
  N      -3.490957     -3.418305      2.259824
  C      -2.636940     -4.005477      1.239086
  C      -2.281867     -5.423957      1.666339
  N      -3.393242     -6.017568      2.457872
  C      -4.563704     -6.368527      1.594669
  C      -5.846630     -6.393041      2.415566
  N      -5.838512     -5.229959      3.283141
  Mo     -4.120087     -4.419260      3.873055
  N      -3.341352     -5.821281      5.115196
  C      -2.349770     -6.734227      4.560203
  C      -2.914670     -7.204649      3.225023
  H      -2.207152     -7.603652      5.222602
  H      -1.360158     -6.259350      4.428263
  H      -3.776872     -7.857285      3.411364
  H      -2.171960     -7.760312      2.628652
  H      -6.707384     -6.369815      1.724965
  H      -5.931221     -7.325401      3.007077
  H      -4.648875     -5.590956      0.824462
  H      -4.382768     -7.333351      1.092076
  H      -1.707284     -3.426970      1.094416
  H      -3.161952     -4.003073      0.264511
  H      -1.401534     -5.406840      2.323621
  H      -2.053356     -6.062544      0.796385
  C      -3.888984     -2.081524      2.111706
  C      -2.973229     -1.007774      2.030398
  C      -3.402881      0.314718      2.057888
  C      -4.760380      0.574495      2.179811
  F      -5.170803      1.869039      2.234901
  C      -5.714945     -0.447981      2.221405
  C      -7.146031     -0.211197      2.502219
  O      -8.009251     -1.069447      2.389801
  C      -7.599310      1.159981      3.079374
  O      -8.427677      1.842376      2.527364
  C      -6.895212      1.572978      4.391280
  O      -6.214084      0.815083      5.029519
  Cl     -7.093035      3.273857      4.799085
  C      -5.257161     -1.776204      2.133160
  C      -7.000781     -4.766559      3.906792
  C      -8.262371     -5.377505      3.965626
  C      -9.269445     -4.776675      4.734454
  C      -9.030029     -3.611671      5.452522
  F     -10.028384     -3.094832      6.197441
  C      -7.766410     -2.989805      5.426669
  C      -7.453711     -1.707645      6.095092
  O      -8.308819     -0.852413      6.319293
  C      -5.852126     -1.612926      6.705891
  O      -3.881545     -3.106647      6.580007
  C      -5.786882     -0.468123      7.605928
  O      -6.584086      0.320249      7.996605
  Cl     -4.084923     -0.506827      8.456594
  C      -6.805424     -3.589885      4.644613
  C      -3.577366     -5.825015      6.491094
  C      -2.550870     -5.890530      7.461544
  C      -2.820328     -5.690964      8.811741
  C      -4.128511     -5.449284      9.213755
  F      -4.366153     -5.201481     10.523609
  C      -5.191397     -5.448249      8.299741
  C      -6.580412     -5.152205      8.661630
  O      -7.517912     -5.131812      7.867077
  C      -7.032683     -4.860636     10.095595
  O      -7.265535     -5.722548     10.908033
  C      -7.265239     -3.348042     10.345254
  O      -6.760487     -2.497536      9.671953
  Cl     -8.243166     -3.014959     11.788869
  C      -4.890716     -5.632997      6.941051
  H      -1.903724     -1.219143      1.979997
  H      -2.697672      1.144517      2.009716
  H      -5.999478     -2.575516      2.117885
  H      -8.470201     -6.314055      3.447295
  H     -10.257707     -5.232372      4.803265
  H      -5.785257     -3.208030      4.530048
  H      -1.518665     -6.051394      7.145578
  H      -2.024372     -5.696216      9.556471
  H      -5.719965     -5.632180      6.231955
  N      -4.020935     -2.755587      5.291431
  N      -4.706664     -1.575180      5.681695
  H      -4.038724     -1.040329      6.243340
  H      -6.434914     -1.162940      5.572615
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.352447536913
  N      -3.495139     -3.425804      2.255046
  C      -2.633911     -4.011321      1.239348
  C      -2.282176     -5.430250      1.666871
  N      -3.395619     -6.021790      2.457907
  C      -4.565290     -6.372513      1.592194
  C      -5.850478     -6.394716      2.410219
  N      -5.839455     -5.233011      3.279317
  Mo     -4.123187     -4.425135      3.867769
  N      -3.343731     -5.827537      5.111686
  C      -2.352823     -6.742362      4.558713
  C      -2.917934     -7.210889      3.223342
  H      -2.214127     -7.611936      5.221895
  H      -1.361544     -6.270402      4.428037
  H      -3.780518     -7.863400      3.408266
  H      -2.175652     -7.765126      2.625218
  H      -6.709533     -6.366621      1.717609
  H      -5.939578     -7.327771      2.999900
  H      -4.647466     -5.596434      0.820244
  H      -4.383632     -7.338627      1.092519
  H      -1.703183     -3.432806      1.102582
  H      -3.151876     -4.007546      0.261051
  H      -1.402455     -5.415492      2.324921
  H      -2.055403     -6.070044      0.797442
  C      -3.887792     -2.086578      2.110313
  C      -2.967343     -1.016374      2.029882
  C      -3.390912      0.307915      2.060608
  C      -4.746967      0.573623      2.186015
  F      -5.151034      1.870041      2.246876
  C      -5.705972     -0.444373      2.226708
  C      -7.136403     -0.199685      2.504896
  O      -8.002333     -1.054687      2.389947
  C      -7.585587      1.172341      3.085506
  O      -8.449727      1.831049      2.559783
  C      -6.906193      1.574497      4.413982
  O      -6.232998      0.815860      5.059666
  Cl     -7.216488      3.240396      4.893931
  C      -5.254672     -1.775213      2.134023
  C      -6.999093     -4.766607      3.907091
  C      -8.261119     -5.376728      3.969070
  C      -9.263561     -4.777325      4.744001
  C      -9.018782     -3.614846      5.464413
  F     -10.013172     -3.101151      6.216973
  C      -7.755943     -2.991626      5.432513
  C      -7.446802     -1.711927      6.106123
  O      -8.305561     -0.862860      6.338693
  C      -5.840839     -1.611292      6.707217
  O      -3.872153     -3.105724      6.570353
  C      -5.770817     -0.467122      7.607307
  O      -6.567170      0.317985      8.004466
  Cl     -4.054906     -0.489904      8.436578
  C      -6.799686     -3.590467      4.643969
  C      -3.575618     -5.824137      6.488443
  C      -2.548272     -5.876935      7.458725
  C      -2.818775     -5.670399      8.807590
  C      -4.128606     -5.436011      9.209130
  F      -4.368022     -5.181625     10.517211
  C      -5.192051     -5.451141      8.295984
  C      -6.583143     -5.166691      8.657430
  O      -7.523115     -5.168971      7.865088
  C      -7.035059     -4.844886     10.085068
  O      -7.289527     -5.689448     10.909110
  C      -7.264333     -3.327507     10.304304
  O      -6.721896     -2.490396      9.643377
  Cl     -8.314648     -2.966574     11.689703
  C      -4.890977     -5.643963      6.938624
  H      -1.899041     -1.232494      1.974962
  H      -2.682266      1.134786      2.012599
  H      -6.001086     -2.570510      2.114538
  H      -8.471572     -6.311519      3.448634
  H     -10.252068     -5.231874      4.816889
  H      -5.780413     -3.205773      4.523965
  H      -1.514813     -6.031568      7.143644
  H      -2.022258     -5.665098      9.551755
  H      -5.720860     -5.656734      6.230363
  N      -4.019419     -2.750697      5.283936
  N      -4.706908     -1.571243      5.676888
  H      -4.038593     -1.036549      6.237496
  H      -6.433144     -1.163074      5.577593
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.352834998452
  N      -3.489633     -3.422113      2.263842
  C      -2.625964     -4.005000      1.248436
  C      -2.275186     -5.424028      1.674750
  N      -3.395292     -6.017059      2.455648
  C      -4.557391     -6.366263      1.577764
  C      -5.848966     -6.393726      2.385001
  N      -5.841308     -5.234886      3.257327
  Mo     -4.134944     -4.431235      3.862490
  N      -3.360031     -5.836846      5.110381
  C      -2.366571     -6.749211      4.559175
  C      -2.924895     -7.211100      3.219063
  H      -2.230793     -7.621580      5.219300
  H      -1.374568     -6.276876      4.434856
  H      -3.790481     -7.861766      3.395868
  H      -2.180899     -7.764114      2.622041
  H      -6.703089     -6.363400      1.686481
  H      -5.941509     -7.328584      2.971138
  H      -4.634197     -5.586620      0.809040
  H      -4.368801     -7.329614      1.075476
  H      -1.695060     -3.425979      1.114867
  H      -3.141870     -3.999639      0.269049
  H      -1.400968     -5.410384      2.340046
  H      -2.042071     -6.062256      0.805923
  C      -3.885621     -2.084902      2.117147
  C      -2.967380     -1.011381      2.054383
  C      -3.395376      0.311195      2.080016
  C      -4.753772      0.571349      2.184842
  F      -5.163261      1.866432      2.243054
  C      -5.709653     -0.450054      2.210502
  C      -7.141496     -0.209993      2.481313
  O      -8.004535     -1.068961      2.373777
  C      -7.591730      1.166438      3.049238
  O      -8.445343      1.827664      2.509637
  C      -6.921589      1.572004      4.381787
  O      -6.296881      0.801139      5.061366
  Cl     -7.166407      3.262666      4.813327
  C      -5.253469     -1.779607      2.119874
  C      -6.999206     -4.769839      3.888180
  C      -8.260280     -5.381712      3.947265
  C      -9.264029     -4.786259      4.722568
  C      -9.019709     -3.626730      5.447330
  F     -10.015937     -3.117845      6.200492
  C      -7.756693     -3.002315      5.420894
  C      -7.459031     -1.728693      6.109070
  O      -8.326554     -0.892634      6.354298
  C      -5.854710     -1.619547      6.709798
  O      -3.880090     -3.106784      6.566901
  C      -5.790742     -0.483165      7.618215
  O      -6.580375      0.317094      7.997269
  Cl     -4.100761     -0.555360      8.502349
  C      -6.798484     -3.596627      4.630774
  C      -3.590013     -5.831392      6.487797
  C      -2.559527     -5.907514      7.453597
  C      -2.818601     -5.696158      8.803836
  C      -4.120867     -5.434721      9.212742
  F      -4.347128     -5.171788     10.521203
  C      -5.188796     -5.426255      8.304648
  C      -6.569410     -5.105388      8.673216
  O      -7.509223     -5.056634      7.881612
  C      -7.019613     -4.823786     10.108826
  O      -7.293570     -5.689238     10.904336
  C      -7.199397     -3.308421     10.381961
  O      -6.643738     -2.466270      9.739019
  Cl     -8.216886     -2.962787     11.795415
  C      -4.898970     -5.623364      6.944888
  H      -1.897701     -1.224421      2.017650
  H      -2.689084      1.140770      2.045549
  H      -5.997031     -2.577316      2.090244
  H      -8.467973     -6.315101      3.423216
  H     -10.252717     -5.240835      4.792647
  H      -5.780758     -3.202774      4.511050
  H      -1.531248     -6.085211      7.134026
  H      -2.017945     -5.707024      9.543523
  H      -5.732695     -5.619102      6.241205
  N      -4.021345     -2.736662      5.284999
  N      -4.722612     -1.564779      5.685128
  H      -4.060561     -1.031844      6.254897
  H      -6.450209     -1.166626      5.585188
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.353287546898
  N      -3.497099     -3.426353      2.257283
  C      -2.628711     -4.007793      1.245150
  C      -2.277211     -5.425794      1.673629
  N      -3.396798     -6.015991      2.457282
  C      -4.560168     -6.366101      1.579966
  C      -5.851283     -6.393641      2.388071
  N      -5.840219     -5.234399      3.259561
  Mo     -4.133849     -4.432967      3.860210
  N      -3.358211     -5.839012      5.109839
  C      -2.364984     -6.751619      4.560224
  C      -2.925381     -7.211542      3.220083
  H      -2.230138     -7.623723      5.220925
  H      -1.372242     -6.280661      4.435547
  H      -3.791675     -7.860984      3.397284
  H      -2.183546     -7.764444      2.620442
  H      -6.705567     -6.364019      1.689680
  H      -5.943296     -7.328096      2.974879
  H      -4.637216     -5.586267      0.811711
  H      -4.371651     -7.329504      1.077722
  H      -1.697923     -3.427955      1.114608
  H      -3.141425     -4.003720      0.264155
  H      -1.402072     -5.412268      2.337662
  H      -2.046318     -6.066095      0.805717
  C      -3.889654     -2.088188      2.114963
  C      -2.970062     -1.015646      2.048658
  C      -3.396787      0.307301      2.074930
  C      -4.754496      0.570033      2.182040
  F      -5.162247      1.865878      2.236367
  C      -5.711458     -0.450634      2.210863
  C      -7.142618     -0.209628      2.484093
  O      -8.006024     -1.068773      2.380352
  C      -7.592391      1.169656      3.043737
  O      -8.441266      1.829467      2.494769
  C      -6.923669      1.585502      4.373230
  O      -6.297343      0.821504      5.058609
  Cl     -7.156847      3.283242      4.782835
  C      -5.257221     -1.780750      2.121356
  C      -6.994249     -4.766024      3.893638
  C      -8.256080     -5.375556      3.960486
  C      -9.255342     -4.775055      4.737470
  C      -9.005602     -3.613913      5.457173
  F      -9.998789     -3.101132      6.212120
  C      -7.740185     -2.992793      5.426071
  C      -7.441525     -1.719547      6.110277
  O      -8.310035     -0.883940      6.356249
  C      -5.838106     -1.610008      6.710220
  O      -3.872654     -3.104484      6.563519
  C      -5.774032     -0.478467      7.622617
  O      -6.575399      0.301553      8.019366
  Cl     -4.066652     -0.517657      8.478251
  C      -6.787859     -3.590950      4.633213
  C      -3.590187     -5.828390      6.487723
  C      -2.557942     -5.893499      7.453366
  C      -2.818262     -5.681549      8.803025
  C      -4.123376     -5.434268      9.212027
  F      -4.353081     -5.175485     10.520628
  C      -5.191496     -5.437824      8.304576
  C      -6.574446     -5.131233      8.676013
  O      -7.516000     -5.089809      7.886177
  C      -7.022013     -4.852036     10.112582
  O      -7.246523     -5.716420     10.924448
  C      -7.269677     -3.342969     10.365946
  O      -6.777386     -2.487327      9.689565
  Cl     -8.239613     -3.020207     11.817090
  C      -4.900869     -5.629387      6.943742
  H      -1.900682     -1.229109      2.007301
  H      -2.689586      1.136026      2.037394
  H      -6.002221     -2.577149      2.095132
  H      -8.467176     -6.310684      3.440870
  H     -10.245025     -5.226541      4.813378
  H      -5.768195     -3.195673      4.508848
  H      -1.528560     -6.063558      7.133608
  H      -2.017176     -5.682575      9.542364
  H      -5.733830     -5.632680      6.239351
  N      -4.015225     -2.729127      5.283832
  N      -4.714573     -1.556752      5.684569
  H      -4.052058     -1.026149      6.258091
  H      -6.434461     -1.157015      5.585302
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.353573721820
  N      -3.501117     -3.428920      2.256495
  C      -2.628054     -4.007391      1.246661
  C      -2.275480     -5.425739      1.674149
  N      -3.395062     -6.017839      2.456515
  C      -4.556643     -6.369810      1.577159
  C      -5.849451     -6.398562      2.382731
  N      -5.840480     -5.240572      3.255973
  Mo     -4.136107     -4.437973      3.858719
  N      -3.361525     -5.844420      5.109151
  C      -2.366510     -6.755595      4.560742
  C      -2.922878     -7.213896      3.218501
  H      -2.233049     -7.628815      5.220248
  H      -1.373479     -6.284230      4.439670
  H      -3.788266     -7.865403      3.392563
  H      -2.178711     -7.763921      2.619144
  H      -6.702242     -6.368184      1.682600
  H      -5.942564     -7.333895      2.967970
  H      -4.633003     -5.590643      0.808095
  H      -4.365789     -7.333352      1.076170
  H      -1.697753     -3.425795      1.120489
  H      -3.137223     -4.002413      0.263825
  H      -1.400749     -5.412210      2.338737
  H      -2.043261     -6.064937      0.805798
  C      -3.891055     -2.089692      2.117159
  C      -2.969326     -1.018883      2.052651
  C      -3.392652      0.305288      2.085915
  C      -4.749322      0.572255      2.198692
  F      -5.152666      1.869035      2.262349
  C      -5.709440     -0.445569      2.224254
  C      -7.141564     -0.201231      2.493870
  O      -8.006050     -1.057792      2.377942
  C      -7.597159      1.172852      3.063571
  O      -8.450676      1.829682      2.518185
  C      -6.938860      1.587117      4.398333
  O      -6.294795      0.831478      5.074972
  Cl     -7.206543      3.275705      4.823664
  C      -5.258085     -1.776590      2.127828
  C      -6.994822     -4.773205      3.889883
  C      -8.256281     -5.382995      3.954151
  C      -9.255469     -4.784426      4.733476
  C      -9.006311     -3.624518      5.456018
  F      -9.999986     -3.114297      6.211774
  C      -7.741687     -3.000504      5.424155
  C      -7.443106     -1.726057      6.108822
  O      -8.312310     -0.890665      6.354159
  C      -5.839768     -1.613130      6.707443
  O      -3.874979     -3.108343      6.558457
  C      -5.776741     -0.482610      7.620560
  O      -6.580978      0.293360      8.020470
  Cl     -4.065468     -0.513401      8.468216
  C      -6.788984     -3.598195      4.630348
  C      -3.594927     -5.833867      6.486239
  C      -2.563138     -5.890009      7.453269
  C      -2.824679     -5.675817      8.802078
  C      -4.130665     -5.431589      9.209354
  F      -4.361792     -5.168726     10.517039
  C      -5.198402     -5.443095      8.301808
  C      -6.583144     -5.143527      8.674329
  O      -7.529243     -5.128355      7.889111
  C      -7.021622     -4.826424     10.106549
  O      -7.288164     -5.670816     10.926795
  C      -7.206446     -3.305735     10.343396
  O      -6.642336     -2.479012      9.688821
  Cl     -8.245187     -2.927634     11.732010
  C      -4.907157     -5.643016      6.941783
  H      -1.900444     -1.234414      2.008585
  H      -2.682919      1.131971      2.050692
  H      -6.005590     -2.570472      2.098040
  H      -8.467058     -6.316781      3.431999
  H     -10.244949     -5.236438      4.808829
  H      -5.770251     -3.201511      4.505811
  H      -1.532504     -6.053646      7.134077
  H      -2.023898     -5.671146      9.541735
  H      -5.739780     -5.653396      6.237051
  N      -4.020316     -2.731079      5.280413
  N      -4.720231     -1.559090      5.680127
  H      -4.057771     -1.028223      6.254379
  H      -6.438124     -1.161656      5.582307
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.354313826269
  N      -3.507969     -3.430398      2.257752
  C      -2.630997     -4.003674      1.248288
  C      -2.275229     -5.422479      1.673404
  N      -3.394215     -6.019163      2.453945
  C      -4.553057     -6.374921      1.571247
  C      -5.848343     -6.406819      2.372987
  N      -5.841441     -5.251079      3.249057
  Mo     -4.141890     -4.447757      3.855761
  N      -3.366737     -5.854242      5.107595
  C      -2.367876     -6.760653      4.559389
  C      -2.919074     -7.216156      3.214042
  H      -2.233737     -7.636213      5.215715
  H      -1.375445     -6.286632      4.442952
  H      -3.782481     -7.871443      3.383669
  H      -2.171546     -7.760878      2.614113
  H      -6.699463     -6.375341      1.670942
  H      -5.942297     -7.343568      2.955819
  H      -4.629242     -5.596348      0.801515
  H      -4.357332     -7.338032      1.071547
  H      -1.702068     -3.419132      1.125596
  H      -3.138022     -3.997455      0.264354
  H      -1.401083     -5.408248      2.338764
  H      -2.040582     -6.059427      0.804108
  C      -3.896682     -2.090743      2.124334
  C      -2.972843     -1.021241      2.066882
  C      -3.392687      0.303676      2.111558
  C      -4.748187      0.573016      2.229597
  F      -5.148897      1.869904      2.307512
  C      -5.710509     -0.442831      2.247550
  C      -7.142720     -0.193907      2.508803
  O      -8.011135     -1.045389      2.383310
  C      -7.598581      1.180778      3.076581
  O      -8.450328      1.836386      2.527202
  C      -6.956196      1.593092      4.420602
  O      -6.314600      0.840058      5.102237
  Cl     -7.243385      3.277538      4.850155
  C      -5.262810     -1.774089      2.139872
  C      -6.992998     -4.785685      3.888404
  C      -8.253756     -5.395748      3.952534
  C      -9.249964     -4.801450      4.739350
  C      -8.998718     -3.644805      5.466583
  F      -9.990271     -3.139565      6.227952
  C      -7.735612     -3.016763      5.430719
  C      -7.438614     -1.742378      6.119491
  O      -8.311904     -0.912617      6.371317
  C      -5.834842     -1.619724      6.709468
  O      -3.867130     -3.112506      6.547182
  C      -5.773794     -0.493796      7.627400
  O      -6.576191      0.285039      8.026254
  Cl     -4.057436     -0.521375      8.462831
  C      -6.784300     -3.612137      4.631802
  C      -3.602033     -5.842940      6.483425
  C      -2.571387     -5.888665      7.452818
  C      -2.835309     -5.667649      8.799839
  C      -4.142778     -5.423064      9.202834
  F      -4.377450     -5.153192     10.508843
  C      -5.208920     -5.445878      8.294164
  C      -6.597261     -5.160737      8.666204
  O      -7.549180     -5.195195      7.888937
  C      -7.026824     -4.783659     10.087420
  O      -7.339644     -5.592407     10.927165
  C      -7.137738     -3.250004     10.285537
  O      -6.485861     -2.470809      9.654977
  Cl     -8.258442     -2.782642     11.579831
  C      -4.915970     -5.660333      6.936687
  H      -1.904319     -1.238489      2.021887
  H      -2.680698      1.128694      2.082823
  H      -6.012553     -2.565661      2.102921
  H      -8.465521     -6.326913      3.426214
  H     -10.239026     -5.254050      4.816631
  H      -5.768288     -3.209109      4.503319
  H      -1.539272     -6.046585      7.135266
  H      -2.035741     -5.655910      9.540751
  H      -5.747667     -5.681810      6.231058
  N      -4.018937     -2.725646      5.275761
  N      -4.724782     -1.557598      5.678046
  H      -4.062940     -1.027032      6.254275
  H      -6.441464     -1.168743      5.588370
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.356115836910
  N      -3.518260     -3.432822      2.256541
  C      -2.638305     -4.001557      1.247026
  C      -2.277803     -5.419928      1.670622
  N      -3.394190     -6.021075      2.452034
  C      -4.552043     -6.381675      1.568695
  C      -5.848333     -6.416143      2.369155
  N      -5.841802     -5.261818      3.246846
  Mo     -4.145722     -4.457464      3.852941
  N      -3.368109     -5.862195      5.106392
  C      -2.365381     -6.763636      4.558046
  C      -2.913531     -7.217831      3.210781
  H      -2.229112     -7.640835      5.211861
  H      -1.374006     -6.286543      4.444359
  H      -3.774196     -7.877292      3.378148
  H      -2.163444     -7.757378      2.609493
  H      -6.699130     -6.384453      1.666764
  H      -5.941811     -7.353714      2.950743
  H      -4.629514     -5.604448      0.797719
  H      -4.352468     -7.344819      1.070833
  H      -1.711170     -3.413884      1.125959
  H      -3.144356     -3.995605      0.262600
  H      -1.402997     -5.403869      2.335071
  H      -2.042082     -6.055465      0.800637
  C      -3.904704     -2.092059      2.129671
  C      -2.977643     -1.025052      2.074752
  C      -3.392596      0.301152      2.130033
  C      -4.746421      0.574829      2.256559
  F      -5.142330      1.872626      2.345278
  C      -5.712160     -0.438015      2.272698
  C      -7.143894     -0.184204      2.529810
  O      -8.015559     -1.031718      2.398494
  C      -7.600955      1.191161      3.094799
  O      -8.450574      1.845372      2.540792
  C      -6.971217      1.604765      4.445225
  O      -6.326450      0.857143      5.128844
  Cl     -7.281277      3.284274      4.878561
  C      -5.269472     -1.769933      2.154896
  C      -6.988843     -4.797936      3.894567
  C      -8.249132     -5.407742      3.963028
  C      -9.239571     -4.816837      4.759731
  C      -8.983654     -3.663007      5.489976
  F      -9.970399     -3.162136      6.260182
  C      -7.722118     -3.031626      5.446125
  C      -7.424468     -1.756462      6.136026
  O      -8.301153     -0.932604      6.397195
  C      -5.819839     -1.623169      6.711383
  O      -3.847421     -3.115207      6.530975
  C      -5.759456     -0.502037      7.635505
  O      -6.563236      0.271858      8.041545
  Cl     -4.033258     -0.514021      8.447465
  C      -6.775069     -3.625364      4.639506
  C      -3.606112     -5.848487      6.481202
  C      -2.578214     -5.878110      7.454613
  C      -2.848875     -5.650221      8.798971
  C      -4.160186     -5.412586      9.195010
  F      -4.402642     -5.136999     10.498658
  C      -5.222723     -5.453305      8.283269
  C      -6.617929     -5.194274      8.650822
  O      -7.570584     -5.289202      7.879906
  C      -7.048223     -4.752192     10.054221
  O      -7.402973     -5.519049     10.916394
  C      -7.098326     -3.209916     10.202848
  O      -6.366081     -2.481701      9.599963
  Cl     -8.297512     -2.650240     11.384909
  C      -4.923520     -5.679763      6.929237
  H      -1.909949     -1.245175      2.024338
  H      -2.677536      1.123597      2.103414
  H      -6.022424     -2.558342      2.115121
  H      -8.463844     -6.336753      3.434214
  H     -10.228020     -5.269798      4.842545
  H      -5.762415     -3.215254      4.504064
  H      -1.543406     -6.026211      7.140990
  H      -2.052328     -5.626687      9.542821
  H      -5.752370     -5.717581      6.221016
  N      -4.010488     -2.716983      5.270724
  N      -4.721814     -1.552570      5.673773
  H      -4.058704     -1.022636      6.249597
  H      -6.437385     -1.172514      5.596524
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.361130577498
  N      -3.530248     -3.434504      2.255023
  C      -2.649079     -3.999834      1.244597
  C      -2.284214     -5.417852      1.666742
  N      -3.396908     -6.023604      2.450649
  C      -4.555508     -6.388513      1.569129
  C      -5.850970     -6.424185      2.370926
  N      -5.842294     -5.270609      3.249371
  Mo     -4.147880     -4.466103      3.850715
  N      -3.365776     -5.867584      5.105497
  C      -2.360359     -6.764635      4.555773
  C      -2.908982     -7.219012      3.208368
  H      -2.220425     -7.642795      5.207628
  H      -1.370318     -6.284693      4.442046
  H      -3.766592     -7.882291      3.376391
  H      -2.157855     -7.754451      2.604826
  H      -6.702911     -6.392356      1.669953
  H      -5.943322     -7.362034      2.952229
  H      -4.635121     -5.612841      0.796802
  H      -4.354142     -7.352039      1.072943
  H      -1.723392     -3.409944      1.123558
  H      -3.155356     -3.994227      0.260272
  H      -1.407942     -5.400084      2.329235
  H      -2.048548     -6.052296      0.796012
  C      -3.913499     -2.092192      2.134992
  C      -2.982280     -1.028716      2.079882
  C      -3.391606      0.298993      2.144042
  C      -4.743589      0.577686      2.279361
  F      -5.134023      1.876833      2.375212
  C      -5.712992     -0.431767      2.298234
  C      -7.144100     -0.173070      2.550635
  O      -8.018808     -1.017669      2.418789
  C      -7.600719      1.207139      3.102159
  O      -8.445589      1.859520      2.539115
  C      -6.982909      1.624869      4.457702
  O      -6.338126      0.881584      5.145395
  Cl     -7.312356      3.300678      4.891399
  C      -5.276262     -1.764487      2.173295
  C      -6.983416     -4.808093      3.907856
  C      -8.243010     -5.418020      3.984286
  C      -9.225668     -4.830980      4.793185
  C      -8.963888     -3.679208      5.524941
  F      -9.943723     -3.183252      6.306956
  C      -7.704685     -3.044075      5.469526
  C      -7.405171     -1.766271      6.157059
  O      -8.284222     -0.949504      6.432075
  C      -5.799750     -1.621418      6.710343
  O      -3.814395     -3.115738      6.511339
  C      -5.739211     -0.504044      7.640954
  O      -6.545987      0.260559      8.058896
  Cl     -3.999648     -0.487400      8.417702
  C      -6.763560     -3.636250      4.653206
  C      -3.605374     -5.851001      6.479902
  C      -2.581738     -5.862146      7.458390
  C      -2.862498     -5.630578      8.799949
  C      -4.178832     -5.404825      9.187720
  F      -4.432201     -5.127550     10.489016
  C      -5.235970     -5.465202      8.271352
  C      -6.639255     -5.239398      8.632314
  O      -7.588064     -5.404583      7.868903
  C      -7.080071     -4.738589     10.013806
  O      -7.469162     -5.465552     10.895622
  C      -7.086788     -3.192016     10.112963
  O      -6.284593     -2.508200      9.547590
  Cl     -8.361720     -2.554370     11.168911
  C      -4.927291     -5.700375      6.921020
  H      -1.915799     -1.252649      2.021576
  H      -2.673292      1.118571      2.116621
  H      -6.032782     -2.549573      2.134506
  H      -8.461708     -6.345112      3.453849
  H     -10.212820     -5.285118      4.884524
  H      -5.755613     -3.217810      4.509715
  H      -1.543481     -5.997538      7.150429
  H      -2.070404     -5.593825      9.547996
  H      -5.751770     -5.756581      6.209075
  N      -3.994198     -2.703705      5.271758
  N      -4.712658     -1.541992      5.667573
  H      -4.046187     -1.012604      6.239030
  H      -6.429615     -1.170247      5.604715
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.371479577017
  N      -3.538486     -3.431635      2.257132
  C      -2.659542     -3.997546      1.244859
  C      -2.293035     -5.415735      1.666141
  N      -3.403475     -6.025817      2.450649
  C      -4.563423     -6.390809      1.571458
  C      -5.856372     -6.425975      2.376593
  N      -5.843579     -5.272258      3.254861
  Mo     -4.148003     -4.470107      3.850333
  N      -3.360919     -5.866699      5.106891
  C      -2.356184     -6.762492      4.553736
  C      -2.910033     -7.218880      3.208678
  H      -2.211750     -7.640559      5.204766
  H      -1.367166     -6.281524      4.435938
  H      -3.766190     -7.882885      3.381315
  H      -2.160853     -7.754672      2.603058
  H      -6.710621     -6.394169      1.678446
  H      -5.947365     -7.363407      2.958742
  H      -4.644283     -5.614954      0.799441
  H      -4.363797     -7.354319      1.074599
  H      -1.733736     -3.408401      1.121365
  H      -3.167617     -3.991949      0.261412
  H      -1.416259     -5.397259      2.328002
  H      -2.056370     -6.049076      0.794912
  C      -3.917290     -2.087389      2.140563
  C      -2.980778     -1.028913      2.082054
  C      -3.384861      0.300818      2.143785
  C      -4.735949      0.585731      2.278722
  F      -5.120872      1.887461      2.365500
  C      -5.709149     -0.419994      2.307959
  C      -7.140885     -0.158065      2.551619
  O      -8.015285     -1.005066      2.432020
  C      -7.599175      1.231574      3.073292
  O      -8.435091      1.880602      2.493763
  C      -6.994253      1.657741      4.432300
  O      -6.352551      0.917310      5.125120
  Cl     -7.337863      3.331399      4.862303
  C      -5.277582     -1.754098      2.189423
  C      -6.979811     -4.812147      3.923154
  C      -8.237922     -5.424338      4.009122
  C      -9.214474     -4.841936      4.828121
  C      -8.950173     -3.689478      5.558373
  F      -9.924061     -3.198922      6.351232
  C      -7.694225     -3.050219      5.492350
  C      -7.393735     -1.766929      6.172377
  O      -8.273069     -0.958495      6.465820
  C      -5.789627     -1.611723      6.699184
  O      -3.772617     -3.114499      6.495097
  C      -5.731517     -0.494462      7.635311
  O      -6.544884      0.255468      8.067318
  Cl     -3.986821     -0.448867      8.389213
  C      -6.757171     -3.640146      4.667730
  C      -3.599382     -5.849731      6.482011
  C      -2.580166     -5.851564      7.464740
  C      -2.870742     -5.631499      8.806172
  C      -4.190996     -5.420398      9.189040
  F      -4.454589     -5.157188     10.491031
  C      -5.242629     -5.484995      8.267074
  C      -6.651382     -5.285503      8.623509
  O      -7.593184     -5.478125      7.857815
  C      -7.104387     -4.761326      9.993177
  O      -7.514944     -5.471343     10.879115
  C      -7.087922     -3.214692     10.075604
  O      -6.240038     -2.552092      9.552491
  Cl     -8.410327     -2.541655     11.047365
  C      -4.925069     -5.714092      6.917544
  H      -1.915742     -1.257900      2.018139
  H      -2.663479      1.117471      2.111098
  H      -6.037246     -2.536527      2.159238
  H      -8.458900     -6.350721      3.478502
  H     -10.199092     -5.299666      4.928240
  H      -5.754758     -3.212714      4.520510
  H      -1.539080     -5.976070      7.161891
  H      -2.082949     -5.591341      9.558585
  H      -5.745240     -5.778606      6.201574
  N      -3.972001     -2.686997      5.289598
  N      -4.702249     -1.524815      5.659563
  H      -4.030556     -0.994720      6.221762
  H      -6.427420     -1.157830      5.604508
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.381274650872
  N      -3.538260     -3.424288      2.264674
  C      -2.665529     -3.994270      1.248601
  C      -2.299704     -5.413730      1.668844
  N      -3.411426     -6.028411      2.448882
  C      -4.571052     -6.388872      1.568759
  C      -5.862614     -6.423801      2.375715
  N      -5.846503     -5.270237      3.254443
  Mo     -4.149019     -4.473686      3.849238
  N      -3.359014     -5.864896      5.108671
  C      -2.358068     -6.762751      4.550763
  C      -2.917842     -7.220225      3.208079
  H      -2.210726     -7.640970      5.200929
  H      -1.369139     -6.282961      4.428249
  H      -3.775477     -7.881109      3.385704
  H      -2.172535     -7.760553      2.601621
  H      -6.718601     -6.391397      1.679772
  H      -5.952829     -7.361056      2.958220
  H      -4.650891     -5.610085      0.799568
  H      -4.373889     -7.351040      1.068341
  H      -1.738255     -3.408492      1.120095
  H      -3.177696     -3.987853      0.267223
  H      -1.424965     -5.395508      2.333438
  H      -2.058622     -6.044818      0.797141
  C      -3.914221     -2.079009      2.148522
  C      -2.973797     -1.024354      2.089938
  C      -3.375369      0.306669      2.141863
  C      -4.726867      0.594899      2.266682
  F      -5.109777      1.898323      2.339042
  C      -5.701936     -0.408591      2.304460
  C      -7.134903     -0.144450      2.534092
  O      -8.009022     -0.993699      2.428055
  C      -7.593355      1.256390      3.019978
  O      -8.413539      1.905391      2.419304
  C      -7.011246      1.684004      4.389273
  O      -6.380027      0.940566      5.088029
  Cl     -7.369253      3.353697      4.821577
  C      -5.272848     -1.743763      2.199755
  C      -6.979372     -4.812878      3.930193
  C      -8.236208     -5.427600      4.021690
  C      -9.210119     -4.849801      4.846220
  C      -8.946325     -3.696232      5.575368
  F      -9.917365     -3.210666      6.374701
  C      -7.692787     -3.054229      5.504923
  C      -7.392841     -1.767612      6.181885
  O      -8.271724     -0.968660      6.496293
  C      -5.790830     -1.605803      6.686559
  O      -3.736440     -3.121035      6.489456
  C      -5.736378     -0.487312      7.628307
  O      -6.551837      0.257750      8.064848
  Cl     -3.994655     -0.431443      8.379923
  C      -6.756563     -3.640938      4.674902
  C      -3.593879     -5.848381      6.485011
  C      -2.575711     -5.855300      7.467703
  C      -2.868235     -5.649213      8.811131
  C      -4.188146     -5.439966      9.195060
  F      -4.453850     -5.193479     10.499761
  C      -5.238707     -5.492979      8.271148
  C      -6.648103     -5.301292      8.629018
  O      -7.589717     -5.511558      7.867443
  C      -7.103620     -4.782694     10.000279
  O      -7.506395     -5.496960     10.886471
  C      -7.098458     -3.236959     10.086900
  O      -6.248879     -2.567377      9.576259
  Cl     -8.436743     -2.575725     11.044855
  C      -4.919828     -5.713923      6.920509
  H      -1.909456     -1.257073      2.029207
  H      -2.652437      1.121826      2.107236
  H      -6.033575     -2.525480      2.179824
  H      -8.457852     -6.352798      3.489319
  H     -10.192551     -5.311169      4.950767
  H      -5.758327     -3.206029      4.529007
  H      -1.534274     -5.978043      7.165377
  H      -2.081159     -5.616517      9.564655
  H      -5.739273     -5.773266      6.203476
  N      -3.950270     -2.677503      5.314299
  N      -4.694277     -1.512520      5.655947
  H      -4.017343     -0.981459      6.210554
  H      -6.431888     -1.146114      5.602014
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.389100359414
  N      -3.537072     -3.416273      2.274551
  C      -2.671125     -3.990370      1.254233
  C      -2.305341     -5.410723      1.673432
  N      -3.418890     -6.030788      2.447576
  C      -4.577581     -6.386664      1.565511
  C      -5.868528     -6.422466      2.373802
  N      -5.850167     -5.269196      3.253316
  Mo     -4.150769     -4.478586      3.848481
  N      -3.357678     -5.863339      5.111872
  C      -2.361012     -6.763935      4.549053
  C      -2.926028     -7.221676      3.208202
  H      -2.211748     -7.642567      5.198232
  H      -1.371814     -6.285881      4.422478
  H      -3.785795     -7.878636      3.390489
  H      -2.185003     -7.767134      2.601009
  H      -6.725961     -6.389826      1.679706
  H      -5.957398     -7.359787      2.956334
  H      -4.656368     -5.604389      0.799780
  H      -4.382052     -7.347039      1.061034
  H      -1.742553     -3.407898      1.120045
  H      -3.188032     -3.983577      0.275311
  H      -1.433471     -5.392101      2.341779
  H      -2.058161     -6.038953      0.801277
  C      -3.910437     -2.069685      2.159270
  C      -2.966460     -1.018530      2.101150
  C      -3.365892      0.313634      2.143550
  C      -4.717855      0.604920      2.257427
  F      -5.099044      1.909678      2.316077
  C      -5.694863     -0.396267      2.300941
  C      -7.129852     -0.129239      2.510773
  O      -8.003217     -0.980673      2.415935
  C      -7.590549      1.279898      2.966148
  O      -8.390470      1.931510      2.342422
  C      -7.036758      1.706717      4.348303
  O      -6.407801      0.963560      5.048598
  Cl     -7.422170      3.367831      4.788660
  C      -5.267756     -1.732485      2.210941
  C      -6.979794     -4.814897      3.936763
  C      -8.235342     -5.432217      4.033161
  C      -9.206858     -4.858773      4.862681
  C      -8.943866     -3.703861      5.590537
  F      -9.912948     -3.222703      6.394801
  C      -7.692783     -3.058641      5.515728
  C      -7.394267     -1.769461      6.190848
  O      -8.272786     -0.980563      6.526308
  C      -5.793520     -1.600583      6.674861
  O      -3.703529     -3.130154      6.490530
  C      -5.742203     -0.479457      7.620660
  O      -6.558973      0.261906      8.060544
  Cl     -4.002304     -0.413344      8.370653
  C      -6.757433     -3.642370      4.680798
  C      -3.589434     -5.847511      6.489137
  C      -2.571576     -5.862032      7.470781
  C      -2.865257     -5.671327      8.816535
  C      -4.184818     -5.464442      9.202231
  F      -4.451577     -5.233747     10.509598
  C      -5.235033     -5.505403      8.276923
  C      -6.645129     -5.322707      8.635869
  O      -7.584366     -5.513224      7.865903
  C      -7.102176     -4.801329     10.005707
  O      -7.513433     -5.512960     10.890107
  C      -7.090931     -3.256249     10.093233
  O      -6.235121     -2.590530      9.588392
  Cl     -8.431731     -2.589668     11.044244
  C      -4.915208     -5.714836      6.925038
  H      -1.902654     -1.254557      2.045389
  H      -2.641523      1.127466      2.108578
  H      -6.029336     -2.513505      2.199942
  H      -8.457556     -6.356182      3.498911
  H     -10.187224     -5.323550      4.971251
  H      -5.762585     -3.200650      4.536419
  H      -1.529988     -5.982043      7.167878
  H      -2.078472     -5.646917      9.570676
  H      -5.734116     -5.767373      6.206927
  N      -3.931030     -2.672862      5.337678
  N      -4.688371     -1.503827      5.652798
  H      -4.006085     -0.970350      6.200303
  H      -6.438213     -1.136981      5.599026
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.395204249709
  N      -3.534117     -3.409452      2.283076
  C      -2.675803     -3.988441      1.258250
  C      -2.310365     -5.409471      1.677206
  N      -3.426674     -6.034111      2.444766
  C      -4.583551     -6.386038      1.559495
  C      -5.875199     -6.421902      2.367282
  N      -5.854933     -5.268613      3.247126
  Mo     -4.154424     -4.484983      3.844514
  N      -3.359423     -5.862467      5.113491
  C      -2.367230     -6.766659      4.547050
  C      -2.936209     -7.224399      3.207522
  H      -2.217581     -7.645715      5.195574
  H      -1.377267     -6.291092      4.417496
  H      -3.798806     -7.876719      3.393555
  H      -2.199294     -7.775440      2.600321
  H      -6.733102     -6.388675      1.673882
  H      -5.963899     -7.359087      2.949948
  H      -4.660251     -5.600922      0.796500
  H      -4.388796     -7.345016      1.052138
  H      -1.745874     -3.409632      1.117584
  H      -3.198027     -3.981696      0.282120
  H      -1.442054     -5.390085      2.350146
  H      -2.056439     -6.035227      0.805123
  C      -3.904295     -2.061546      2.168529
  C      -2.956147     -1.014520      2.112121
  C      -3.352599      0.318850      2.146582
  C      -4.704773      0.613463      2.250668
  F      -5.083472      1.919396      2.299716
  C      -5.684314     -0.385027      2.297278
  C      -7.120546     -0.114476      2.489535
  O      -7.995659     -0.964369      2.396083
  C      -7.581618      1.303295      2.912688
  O      -8.358730      1.957603      2.264189
  C      -7.062324      1.728229      4.309915
  O      -6.436936      0.986147      5.014331
  Cl     -7.483724      3.378078      4.758796
  C      -5.260188     -1.722115      2.218876
  C      -6.980875     -4.816257      3.938097
  C      -8.235522     -5.435318      4.038523
  C      -9.204698     -4.865389      4.872246
  C      -8.941555     -3.709956      5.599684
  F      -9.908880     -3.232870      6.408233
  C      -7.692366     -3.062152      5.521380
  C      -7.395801     -1.772316      6.198771
  O      -8.274146     -0.994842      6.556746
  C      -5.795302     -1.595452      6.662149
  O      -3.673998     -3.138898      6.490912
  C      -5.745619     -0.471683      7.611519
  O      -6.561034      0.270428      8.051846
  Cl     -4.006444     -0.400140      8.360213
  C      -6.758081     -3.643079      4.681237
  C      -3.587256     -5.845293      6.491686
  C      -2.567953     -5.868333      7.470500
  C      -2.859224     -5.685402      8.818189
  C      -4.176845     -5.474248      9.207190
  F      -4.441317     -5.252144     10.516585
  C      -5.228816     -5.504439      8.283027
  C      -6.637798     -5.323009      8.645557
  O      -7.580837     -5.542710      7.887808
  C      -7.093642     -4.819664     10.022442
  O      -7.486349     -5.543705     10.905365
  C      -7.104092     -3.275522     10.123271
  O      -6.263196     -2.592877      9.616373
  Cl     -8.445595     -2.637359     11.092808
  C      -4.911650     -5.710331      6.930301
  H      -1.892964     -1.254446      2.062637
  H      -2.626377      1.131064      2.113091
  H      -6.023006     -2.501945      2.214546
  H      -8.458583     -6.357849      3.502156
  H     -10.183571     -5.332484      4.984080
  H      -5.766116     -3.194565      4.537786
  H      -1.527142     -5.989027      7.165255
  H      -2.071091     -5.668514      9.571118
  H      -5.731708     -5.755694      6.213049
  N      -3.913948     -2.669045      5.354213
  N      -4.684525     -1.496112      5.647483
  H      -3.997368     -0.959729      6.188949
  H      -6.445285     -1.129209      5.595553
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.400184809190
  N      -3.530926     -3.401416      2.294836
  C      -2.681116     -3.984255      1.264395
  C      -2.314736     -5.405446      1.682365
  N      -3.433377     -6.035751      2.442966
  C      -4.588049     -6.385036      1.554140
  C      -5.880908     -6.422076      2.360785
  N      -5.859858     -5.268833      3.241055
  Mo     -4.159081     -4.491764      3.841895
  N      -3.361692     -5.861665      5.116626
  C      -2.372623     -6.767822      4.546352
  C      -2.944441     -7.225314      3.207662
  H      -2.222000     -7.647644      5.193649
  H      -1.382338     -6.293552      4.414671
  H      -3.809340     -7.873835      3.396723
  H      -2.210921     -7.780880      2.600423
  H      -6.738933     -6.388856      1.667605
  H      -5.968984     -7.359314      2.943356
  H      -4.663118     -5.597252      0.793784
  H      -4.392836     -7.342449      1.044091
  H      -1.750494     -3.408377      1.116161
  H      -3.209866     -3.977850      0.291733
  H      -1.450267     -5.384608      2.360184
  H      -2.053273     -6.028145      0.810213
  C      -3.899131     -2.052267      2.180979
  C      -2.947972     -1.008169      2.128454
  C      -3.342682      0.326112      2.155363
  C      -4.695317      0.623113      2.247387
  F      -5.072296      1.929954      2.286820
  C      -5.676945     -0.373351      2.293294
  C      -7.115233     -0.100189      2.463360
  O      -7.990034     -0.951117      2.374227
  C      -7.579853      1.322748      2.861766
  O      -8.333162      1.980879      2.190113
  C      -7.094312      1.746080      4.272677
  O      -6.470090      1.007040      4.980681
  Cl     -7.549453      3.385359      4.726809
  C      -5.254207     -1.711181      2.226659
  C      -6.981773     -4.819503      3.940668
  C      -8.234952     -5.441251      4.045586
  C      -9.201464     -4.876004      4.884647
  C      -8.938270     -3.720296      5.612027
  F      -9.903768     -3.248183      6.425443
  C      -7.691553     -3.068719      5.529246
  C      -7.398127     -1.778968      6.210054
  O      -8.276769     -1.014960      6.591871
  C      -5.797285     -1.591157      6.651795
  O      -3.643687     -3.145474      6.494027
  C      -5.749549     -0.464387      7.603531
  O      -6.562877      0.280275      8.042353
  Cl     -4.011365     -0.391170      8.353541
  C      -6.758616     -3.645711      4.683303
  C      -3.586641     -5.845439      6.495505
  C      -2.566587     -5.880015      7.472259
  C      -2.856764     -5.709588      8.822205
  C      -4.173060     -5.496847      9.214262
  F      -4.436201     -5.287357     10.526102
  C      -5.226000     -5.514066      8.290432
  C      -6.634764     -5.338393      8.655371
  O      -7.576841     -5.526787      7.887746
  C      -7.089741     -4.830223     10.030738
  O      -7.495400     -5.549941     10.911251
  C      -7.087635     -3.286227     10.131450
  O      -6.242990     -2.610783      9.621424
  Cl     -8.419010     -2.637238     11.108141
  C      -4.909989     -5.709469      6.936206
  H      -1.885117     -1.250880      2.087390
  H      -2.615195      1.137312      2.125118
  H      -6.017704     -2.490328      2.225604
  H      -8.458342     -6.362538      3.507221
  H     -10.178472     -5.346039      5.000305
  H      -5.769705     -3.189368      4.539928
  H      -1.526347     -6.000853      7.165215
  H      -2.068028     -5.702945      9.574665
  H      -5.730615     -5.746753      6.219130
  N      -3.896312     -2.664702      5.369527
  N      -4.682044     -1.488833      5.643381
  H      -3.991043     -0.948152      6.178306
  H      -6.454753     -1.124261      5.594813
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.404163044037
  N      -3.526613     -3.395228      2.304783
  C      -2.685261     -3.982051      1.268934
  C      -2.318581     -5.403251      1.686440
  N      -3.440409     -6.037909      2.439986
  C      -4.592079     -6.385349      1.546328
  C      -5.887515     -6.422290      2.349625
  N      -5.865580     -5.268795      3.229766
  Mo     -4.165793     -4.499580      3.835900
  N      -3.367621     -5.861810      5.117641
  C      -2.381130     -6.770222      4.545304
  C      -2.954346     -7.227261      3.206935
  H      -2.230918     -7.650786      5.191738
  H      -1.390153     -6.297674      4.412800
  H      -3.821901     -7.871846      3.397677
  H      -2.223603     -7.787056      2.600246
  H      -6.744465     -6.388304      1.655250
  H      -5.976820     -7.359324      2.932202
  H      -4.664148     -5.595920      0.787446
  H      -4.395548     -7.341856      1.035273
  H      -1.753953     -3.409200      1.113309
  H      -3.220353     -3.976016      0.299700
  H      -1.458359     -5.381086      2.369583
  H      -2.049894     -6.023640      0.814787
  C      -3.892013     -2.044685      2.191448
  C      -2.937353     -1.004007      2.145420
  C      -3.329658      0.331223      2.166597
  C      -4.682533      0.631166      2.247020
  F      -5.056194      1.939051      2.280106
  C      -5.666968     -0.362897      2.288517
  C      -7.107237     -0.087729      2.438057
  O      -7.982175     -0.937977      2.339343
  C      -7.576106      1.339013      2.813174
  O      -8.307985      1.999284      2.119755
  C      -7.125864      1.761013      4.236518
  O      -6.506339      1.025349      4.952514
  Cl     -7.615486      3.390338      4.692198
  C      -5.246160     -1.701376      2.229752
  C      -6.982600     -4.821203      3.938211
  C      -8.234545     -5.444973      4.047680
  C      -9.197807     -4.884197      4.892342
  C      -8.932954     -3.729546      5.621022
  F      -9.896050     -3.262670      6.439895
  C      -7.688270     -3.074801      5.534021
  C      -7.398486     -1.787373      6.222768
  O      -8.277380     -1.039397      6.631274
  C      -5.796656     -1.586585      6.641157
  O      -3.614060     -3.148845      6.492366
  C      -5.749471     -0.457889      7.595846
  O      -6.558879      0.291984      8.031602
  Cl     -4.012094     -0.389306      8.348846
  C      -6.757395     -3.647244      4.680838
  C      -3.588806     -5.844358      6.497230
  C      -2.566839     -5.890456      7.470867
  C      -2.853173     -5.725614      8.822612
  C      -4.166840     -5.505982      9.218903
  F      -4.426118     -5.302612     10.532532
  C      -5.222115     -5.511253      8.297259
  C      -6.629097     -5.333870      8.666816
  O      -7.575146     -5.532128      7.906342
  C      -7.080967     -4.840045     10.048255
  O      -7.474667     -5.569282     10.926379
  C      -7.091240     -3.296817     10.160657
  O      -6.260894     -2.609921      9.642782
  Cl     -8.411545     -2.667737     11.165105
  C      -4.910178     -5.703172      6.941764
  H      -1.874949     -1.249992      2.114176
  H      -2.600522      1.141110      2.141654
  H      -6.010851     -2.479351      2.228254
  H      -8.458685     -6.364731      3.507024
  H     -10.173420     -5.356173      5.011604
  H      -5.771672     -3.182167      4.536279
  H      -1.527915     -6.015070      7.160991
  H      -2.062625     -5.728243      9.573193
  H      -5.732719     -5.732644      6.226515
  N      -3.878653     -2.657567      5.378254
  N      -4.680768     -1.479901      5.637693
  H      -3.986875     -0.934887      6.167009
  H      -6.464182     -1.119751      5.595957
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.411252857192
  N      -3.520934     -3.392222      2.321315
  C      -2.683997     -3.978463      1.281545
  C      -2.320339     -5.401314      1.691755
  N      -3.443251     -6.039389      2.441560
  C      -4.595501     -6.383067      1.547292
  C      -5.891172     -6.421202      2.352129
  N      -5.870062     -5.268788      3.234346
  Mo     -4.166628     -4.506773      3.842380
  N      -3.370869     -5.871833      5.118750
  C      -2.385946     -6.779919      4.541907
  C      -2.958848     -7.231739      3.203540
  H      -2.237279     -7.663231      5.184824
  H      -1.394366     -6.308221      4.412001
  H      -3.827996     -7.874747      3.392809
  H      -2.229822     -7.791016      2.594335
  H      -6.748290     -6.384886      1.658262
  H      -5.980617     -7.359621      2.932324
  H      -4.667221     -5.590734      0.791433
  H      -4.399711     -7.337914      1.032998
  H      -1.751089     -3.408170      1.126156
  H      -3.221028     -3.966886      0.313427
  H      -1.460916     -5.382849      2.376222
  H      -2.050653     -6.017136      0.817160
  C      -3.881672     -2.038046      2.210962
  C      -2.923537     -1.001526      2.172578
  C      -3.313055      0.334662      2.196306
  C      -4.666063      0.638651      2.268517
  F      -5.033771      1.947263      2.301490
  C      -5.654449     -0.352376      2.298818
  C      -7.098490     -0.075606      2.425711
  O      -7.969069     -0.927820      2.301539
  C      -7.585433      1.352212      2.772341
  O      -8.289537      2.004956      2.041576
  C      -7.197044      1.791073      4.206728
  O      -6.609535      1.067251      4.963026
  Cl     -7.701683      3.429937      4.615162
  C      -5.235287     -1.691228      2.241154
  C      -6.986768     -4.820658      3.944011
  C      -8.238408     -5.445501      4.052932
  C      -9.201595     -4.886733      4.898646
  C      -8.937727     -3.731352      5.627318
  F      -9.903235     -3.264464      6.442776
  C      -7.694454     -3.073634      5.537630
  C      -7.409343     -1.780375      6.220518
  O      -8.289725     -1.038821      6.636169
  C      -5.805604     -1.556870      6.613428
  O      -3.597107     -3.161856      6.507449
  C      -5.743973     -0.428607      7.574006
  O      -6.543313      0.329716      8.012342
  Cl     -4.002303     -0.377851      8.318460
  C      -6.762473     -3.647053      4.685596
  C      -3.589104     -5.866481      6.498241
  C      -2.562747     -5.922762      7.465555
  C      -2.842155     -5.759345      8.819211
  C      -4.152960     -5.534234      9.220972
  F      -4.405889     -5.331084     10.536247
  C      -5.213150     -5.536115      8.304244
  C      -6.617526     -5.351028      8.679420
  O      -7.568182     -5.541417      7.923199
  C      -7.056547     -4.847379     10.061545
  O      -7.435426     -5.571068     10.950550
  C      -7.078403     -3.302189     10.159253
  O      -6.270615     -2.612461      9.609591
  Cl     -8.374017     -2.675520     11.196435
  C      -4.907638     -5.725180      6.947769
  H      -1.861569     -1.250588      2.148556
  H      -2.581695      1.142811      2.179107
  H      -6.001430     -2.467688      2.232596
  H      -8.461562     -6.365386      3.511806
  H     -10.176816     -5.359547      5.018025
  H      -5.776992     -3.180768      4.544859
  H      -1.525704     -6.048047      7.149645
  H      -2.048293     -5.766957      9.566283
  H      -5.732820     -5.745864      6.235116
  N      -3.877025     -2.669148      5.386497
  N      -4.687806     -1.467957      5.617857
  H      -3.992763     -0.912517      6.138905
  H      -6.475197     -1.100653      5.578905
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.417592126822
  N      -3.518691     -3.388134      2.336267
  C      -2.684851     -3.972768      1.293079
  C      -2.321492     -5.396943      1.696317
  N      -3.443415     -6.039701      2.443508
  C      -4.596901     -6.380967      1.550327
  C      -5.891518     -6.421919      2.358486
  N      -5.874797     -5.270441      3.242761
  Mo     -4.166374     -4.511227      3.850903
  N      -3.371386     -5.877601      5.119843
  C      -2.385942     -6.784758      4.539337
  C      -2.957755     -7.233833      3.200865
  H      -2.237391     -7.669557      5.180098
  H      -1.394663     -6.311953      4.412116
  H      -3.826958     -7.877132      3.389269
  H      -2.229446     -7.791511      2.589350
  H      -6.749305     -6.385137      1.665446
  H      -5.978757     -7.361928      2.936314
  H      -4.670553     -5.586099      0.797223
  H      -4.401830     -7.334214      1.032818
  H      -1.751545     -3.402961      1.137973
  H      -3.223751     -3.956918      0.325983
  H      -1.461968     -5.381045      2.380985
  H      -2.051129     -6.008220      0.818791
  C      -3.876578     -2.031333      2.225807
  C      -2.915747     -0.998085      2.192334
  C      -3.301801      0.338992      2.216088
  C      -4.654341      0.646981      2.281604
  F      -5.017344      1.955758      2.317618
  C      -5.645561     -0.341027      2.304037
  C      -7.089585     -0.057315      2.419048
  O      -7.959928     -0.910663      2.296918
  C      -7.579274      1.372121      2.748574
  O      -8.276330      2.014203      2.000015
  C      -7.200582      1.834846      4.173581
  O      -6.613100      1.129715      4.947499
  Cl     -7.703998      3.484387      4.545909
  C      -5.229543     -1.681015      2.249107
  C      -6.994769     -4.825821      3.950411
  C      -8.244130     -5.456258      4.057895
  C      -9.210712     -4.901929      4.902755
  C      -8.953335     -3.744394      5.631052
  F      -9.922734     -3.281104      6.443663
  C      -7.713267     -3.080770      5.539806
  C      -7.433045     -1.783250      6.216920
  O      -8.311665     -1.046063      6.640141
  C      -5.831135     -1.535988      6.579319
  O      -3.597888     -3.178648      6.514913
  C      -5.760473     -0.412059      7.548508
  O      -6.559387      0.345442      7.988306
  Cl     -4.019693     -0.365707      8.291164
  C      -6.777401     -3.651858      4.690148
  C      -3.587852     -5.884193      6.499646
  C      -2.556654     -5.945568      7.460480
  C      -2.829797     -5.783106      8.815839
  C      -4.138355     -5.555207      9.222449
  F      -4.384814     -5.350315     10.539037
  C      -5.203561     -5.555663      8.310657
  C      -6.605994     -5.361610      8.690055
  O      -7.560609     -5.548829      7.938975
  C      -7.032619     -4.853509     10.074766
  O      -7.397314     -5.574771     10.971512
  C      -7.064953     -3.306805     10.164036
  O      -6.277008     -2.613482      9.590168
  Cl     -8.334414     -2.685367     11.235278
  C      -4.904078     -5.744286      6.953436
  H      -1.854219     -1.249692      2.174398
  H      -2.568169      1.145215      2.204746
  H      -5.997276     -2.455843      2.237283
  H      -8.462570     -6.377686      3.517304
  H     -10.183771     -5.379348      5.021569
  H      -5.792366     -3.185284      4.553418
  H      -1.521350     -6.069489      7.138566
  H      -2.032870     -5.792803      9.559595
  H      -5.731492     -5.758212      6.242981
  N      -3.892645     -2.690090      5.388193
  N      -4.711469     -1.463444      5.593933
  H      -4.016891     -0.898819      6.107126
  H      -6.498348     -1.089331      5.559401
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.423466964925
  N      -3.511981     -3.382472      2.352235
  C      -2.683492     -3.966860      1.304262
  C      -2.323233     -5.394174      1.699592
  N      -3.444835     -6.039535      2.444784
  C      -4.601844     -6.374518      1.554459
  C      -5.894140     -6.415232      2.367428
  N      -5.878492     -5.265356      3.254531
  Mo     -4.161508     -4.513102      3.861294
  N      -3.369007     -5.882954      5.121284
  C      -2.385560     -6.791470      4.536154
  C      -2.959511     -7.236471      3.197244
  H      -2.238385     -7.677955      5.174736
  H      -1.393731     -6.319637      4.410667
  H      -3.829807     -7.878319      3.385845
  H      -2.233794     -7.794346      2.582846
  H      -6.753280     -6.375837      1.676017
  H      -5.980685     -7.356958      2.942516
  H      -4.676460     -5.576676      0.804510
  H      -4.411539     -7.326592      1.032924
  H      -1.748906     -3.399312      1.148278
  H      -3.225478     -3.945436      0.338916
  H      -1.462776     -5.383439      2.383371
  H      -2.054603     -6.001073      0.818514
  C      -3.866524     -2.023622      2.242449
  C      -2.903099     -0.993411      2.214077
  C      -3.286737      0.344337      2.237334
  C      -4.639405      0.654939      2.294521
  F      -4.999484      1.964070      2.327236
  C      -5.632625     -0.331454      2.309028
  C      -7.077445     -0.044700      2.406059
  O      -7.946204     -0.897997      2.270050
  C      -7.574235      1.385268      2.715847
  O      -8.251418      2.019375      1.941786
  C      -7.240215      1.857820      4.145805
  O      -6.682180      1.158901      4.946636
  Cl     -7.761850      3.509347      4.490834
  C      -5.218569     -1.671621      2.258144
  C      -7.001413     -4.823824      3.959904
  C      -8.249583     -5.457802      4.066250
  C      -9.218588     -4.906128      4.910527
  C      -8.965988     -3.747058      5.638756
  F      -9.937682     -3.285497      6.449656
  C      -7.727997     -3.080391      5.546254
  C      -7.446537     -1.781049      6.218377
  O      -8.318272     -1.043689      6.650223
  C      -5.845747     -1.516481      6.545236
  O      -3.596876     -3.197551      6.515819
  C      -5.761922     -0.397997      7.522687
  O      -6.559199      0.360644      7.963953
  Cl     -4.022358     -0.356446      8.258872
  C      -6.789795     -3.649859      4.698272
  C      -3.584316     -5.900653      6.502149
  C      -2.549347     -5.969037      7.457754
  C      -2.817972     -5.809111      8.814682
  C      -4.124643     -5.577932      9.225273
  F      -4.365517     -5.373726     10.543203
  C      -5.193761     -5.574569      8.317482
  C      -6.595151     -5.372482      8.698992
  O      -7.551676     -5.554015      7.949831
  C      -7.013430     -4.859801     10.084882
  O      -7.366110     -5.578287     10.988418
  C      -7.056434     -3.312108     10.164975
  O      -6.290282     -2.616161      9.565300
  Cl     -8.305356     -2.694066     11.261268
  C      -4.898842     -5.760871      6.959227
  H      -1.841922     -1.246958      2.202445
  H      -2.551608      1.149272      2.230967
  H      -5.986966     -2.445744      2.242412
  H      -8.465362     -6.380163      3.526134
  H     -10.190198     -5.386676      5.028733
  H      -5.804200     -3.187135      4.564395
  H      -1.515597     -6.092782      7.131119
  H      -2.019032     -5.822804      9.556175
  H      -5.727609     -5.767052      6.250073
  N      -3.903924     -2.717248      5.388268
  N      -4.724710     -1.464169      5.569349
  H      -4.028018     -0.894002      6.073070
  H      -6.508241     -1.075469      5.542469
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.429140295279
  N      -3.508300     -3.375522      2.367747
  C      -2.685111     -3.958911      1.314513
  C      -2.325795     -5.388774      1.702143
  N      -3.445659     -6.037860      2.445963
  C      -4.605928     -6.368311      1.559319
  C      -5.895180     -6.410396      2.377333
  N      -5.881792     -5.262029      3.267105
  Mo     -4.157107     -4.513510      3.872132
  N      -3.364117     -5.885708      5.123713
  C      -2.381877     -6.794206      4.533697
  C      -2.958517     -7.236272      3.194221
  H      -2.234405     -7.682004      5.170222
  H      -1.390274     -6.322044      4.408908
  H      -3.828689     -7.878053      3.383805
  H      -2.234623     -7.793601      2.577150
  H      -6.755960     -6.370208      1.687791
  H      -5.979374     -7.353802      2.950047
  H      -4.682789     -5.567950      0.812229
  H      -4.419807     -7.319221      1.033966
  H      -1.750206     -3.392372      1.156617
  H      -3.230955     -3.933197      0.351384
  H      -1.463966     -5.381857      2.384349
  H      -2.058608     -5.991158      0.817505
  C      -3.861131     -2.015642      2.257439
  C      -2.895929     -0.987230      2.232560
  C      -3.277368      0.351194      2.253868
  C      -4.629961      0.663778      2.303584
  F      -4.988488      1.973269      2.335540
  C      -5.624477     -0.321318      2.312217
  C      -7.068759     -0.030369      2.396869
  O      -7.938767     -0.882823      2.262012
  C      -7.564727      1.402414      2.689657
  O      -8.230922      2.029224      1.899905
  C      -7.241483      1.890292      4.114866
  O      -6.685470      1.202447      4.925592
  Cl     -7.750261      3.552604      4.432650
  C      -5.212490     -1.662199      2.266389
  C      -7.009354     -4.826905      3.969259
  C      -8.254839     -5.467302      4.074142
  C      -9.228034     -4.920437      4.917288
  C      -8.983473     -3.759439      5.645518
  F      -9.958491     -3.301532      6.454796
  C      -7.749136     -3.086902      5.552877
  C      -7.468763     -1.786432      6.221159
  O      -8.334480     -1.050245      6.661186
  C      -5.868658     -1.502652      6.510796
  O      -3.604192     -3.213069      6.513972
  C      -5.773124     -0.388923      7.495154
  O      -6.568691      0.370967      7.938413
  Cl     -4.034821     -0.350310      8.223560
  C      -6.807163     -3.652173      4.706671
  C      -3.578604     -5.913647      6.505687
  C      -2.540747     -5.987583      7.457389
  C      -2.806129     -5.830979      8.815586
  C      -4.111371     -5.598208      9.229650
  F      -4.347608     -5.395217     10.548652
  C      -5.183391     -5.591835      8.325204
  C      -6.583956     -5.382624      8.708103
  O      -7.541793     -5.560749      7.960394
  C      -6.996777     -4.866081     10.094345
  O      -7.338464     -5.582113     11.003872
  C      -7.051436     -3.317955     10.164500
  O      -6.303624     -2.620238      9.544282
  Cl     -8.276448     -2.703058     11.288554
  C      -4.892088     -5.775559      6.965672
  H      -1.835055     -1.242261      2.226702
  H      -2.541035      1.155052      2.251559
  H      -5.981476     -2.435702      2.248913
  H      -8.465809     -6.391069      3.534499
  H     -10.197041     -5.406563      5.034329
  H      -5.821687     -3.192211      4.575109
  H      -1.508068     -6.110046      7.127168
  H      -2.005747     -5.847884      9.555440
  H      -5.721769     -5.775271      6.257485
  N      -3.922693     -2.745580      5.387287
  N      -4.745805     -1.469477      5.543513
  H      -4.047592     -0.892619      6.037312
  H      -6.526515     -1.067192      5.525042
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.434750572660
  N      -3.502478     -3.368092      2.383325
  C      -2.685981     -3.951380      1.324160
  C      -2.329236     -5.384394      1.703769
  N      -3.447615     -6.035860      2.446829
  C      -4.612005     -6.360229      1.564833
  C      -5.897519     -6.402042      2.388546
  N      -5.884021     -5.255400      3.281286
  Mo     -4.150570     -4.512184      3.883696
  N      -3.357106     -5.888551      5.126705
  C      -2.378001     -6.797845      4.530774
  C      -2.959438     -7.236008      3.190895
  H      -2.230634     -7.687382      5.164755
  H      -1.386133     -6.326698      4.405349
  H      -3.829867     -7.876949      3.382263
  H      -2.238178     -7.793670      2.570938
  H      -6.760397     -6.360233      1.701523
  H      -5.980206     -7.347030      2.958966
  H      -4.690429     -5.557303      0.820590
  H      -4.432048     -7.310249      1.035440
  H      -1.750271     -3.386923      1.163591
  H      -3.236389     -3.920735      0.363721
  H      -1.465487     -5.382434      2.383670
  H      -2.064845     -5.982436      0.815290
  C      -3.853285     -2.007370      2.272586
  C      -2.886256     -0.980725      2.250685
  C      -3.265495      0.358413      2.268592
  C      -4.617997      0.672772      2.309564
  F      -4.975155      1.982956      2.336464
  C      -5.613847     -0.311103      2.313315
  C      -7.057782     -0.017450      2.383176
  O      -7.928947     -0.868226      2.245175
  C      -7.553054      1.418861      2.657694
  O      -8.203216      2.041280      1.851490
  C      -7.252814      1.914010      4.085204
  O      -6.720395      1.225652      4.910648
  Cl     -7.770171      3.577283      4.388363
  C      -5.203859     -1.652661      2.274192
  C      -7.016371     -4.826942      3.979950
  C      -8.259434     -5.473076      4.083371
  C      -9.236751     -4.930697      4.925400
  C      -8.999861     -3.768289      5.653763
  F      -9.977689     -3.313622      6.461996
  C      -7.768658     -3.090502      5.561786
  C      -7.487820     -1.790000      6.227188
  O      -8.346181     -1.053309      6.674717
  C      -5.887093     -1.489835      6.478802
  O      -3.611788     -3.227033      6.512797
  C      -5.779708     -0.380559      7.468891
  O      -6.572527      0.382077      7.913648
  Cl     -4.042943     -0.345868      8.190834
  C      -6.823486     -3.651547      4.717054
  C      -3.571001     -5.925715      6.509568
  C      -2.531306     -6.006760      7.458555
  C      -2.794383     -5.854555      8.817807
  C      -4.098297     -5.619466      9.234867
  F      -4.330765     -5.419079     10.554853
  C      -5.172136     -5.607997      8.332774
  C      -6.571788     -5.391223      8.716399
  O      -7.530554     -5.564021      7.968872
  C      -6.981776     -4.872094     10.102432
  O      -7.314500     -5.586170     11.016663
  C      -7.046855     -3.323943     10.163453
  O      -6.318740     -2.625393      9.521209
  Cl     -8.254155     -2.710278     11.306769
  C      -4.883680     -5.788117      6.971875
  H      -1.825761     -1.237444      2.250681
  H      -2.528037      1.161227      2.269143
  H      -5.973398     -2.425589      2.255061
  H      -8.466241     -6.397972      3.544015
  H     -10.203288     -5.422132      5.040999
  H      -5.837668     -3.195755      4.587236
  H      -1.499476     -6.129133      7.125802
  H      -1.993187     -5.876311      9.556663
  H      -5.713842     -5.780481      6.264231
  N      -3.940372     -2.775073      5.387448
  N      -4.762021     -1.477659      5.518830
  H      -4.061546     -0.894682      6.002536
  H      -6.539006     -1.057993      5.509045
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.440400070206
  N      -3.497315     -3.360273      2.398510
  C      -2.687959     -3.943346      1.333011
  C      -2.333362     -5.379288      1.704622
  N      -3.449742     -6.033275      2.447410
  C      -4.618242     -6.352089      1.570594
  C      -5.899580     -6.393752      2.400372
  N      -5.885458     -5.248764      3.296095
  Mo     -4.143723     -4.509839      3.895255
  N      -3.348264     -5.890828      5.130237
  C      -2.372737     -6.800288      4.527662
  C      -2.959833     -7.234621      3.187575
  H      -2.224757     -7.691762      5.158692
  H      -1.380741     -6.330088      4.400486
  H      -3.830067     -7.875151      3.381295
  H      -2.241025     -7.792490      2.564780
  H      -6.764943     -6.350847      1.716385
  H      -5.980353     -7.340198      2.968785
  H      -4.698532     -5.546820      0.828999
  H      -4.444623     -7.301271      1.037239
  H      -1.751712     -3.380740      1.169173
  H      -3.243446     -3.908008      0.375611
  H      -1.467355     -5.381925      2.381739
  H      -2.071948     -5.972938      0.812232
  C      -3.846640     -1.998959      2.287046
  C      -2.878157     -0.973646      2.267334
  C      -3.255255      0.366213      2.281336
  C      -4.607533      0.682139      2.313950
  F      -4.963440      1.993199      2.335939
  C      -5.604681     -0.300471      2.313815
  C      -7.048300     -0.004943      2.370643
  O      -7.920771     -0.854223      2.233153
  C      -7.542143      1.435604      2.627508
  O      -8.179670      2.054098      1.809124
  C      -7.257215      1.938597      4.056621
  O      -6.732832      1.253119      4.888914
  Cl     -7.763962      3.608432      4.342299
  C      -5.196528     -1.642835      2.281751
  C      -7.023348     -4.828485      3.991006
  C      -8.263296     -5.481403      4.092950
  C      -9.245459     -4.944559      4.933853
  C      -9.017382     -3.780909      5.662443
  F      -9.998306     -3.330413      6.469932
  C      -7.789713     -3.096612      5.571805
  C      -7.509479     -1.796364      6.235138
  O      -8.360843     -1.059236      6.689091
  C      -5.907081     -1.479723      6.448655
  O      -3.622591     -3.238041      6.513552
  C      -5.788995     -0.373837      7.442621
  O      -6.578239      0.392589      7.888390
  Cl     -4.052798     -0.342077      8.157881
  C      -6.841122     -3.652300      4.728273
  C      -3.561875     -5.936223      6.513561
  C      -2.521264     -6.024369      7.460975
  C      -2.782908     -5.876902      8.821019
  C      -4.085759     -5.639657      9.240513
  F      -4.315507     -5.442304     10.561263
  C      -5.160505     -5.622981      8.339831
  C      -6.559187     -5.399068      8.723730
  O      -7.518771     -5.567332      7.976108
  C      -6.968885     -4.877668     10.108711
  O      -7.294110     -5.589843     11.027019
  C      -7.045841     -3.329872     10.159545
  O      -6.334287     -2.630958      9.499434
  Cl     -8.233895     -2.717003     11.322979
  C      -4.874089     -5.799257      6.977684
  H      -1.818066     -1.232072      2.272817
  H      -2.516726      1.168018      2.284145
  H      -5.966689     -2.415145      2.261837
  H      -8.465191     -6.407501      3.553737
  H     -10.208978     -5.442341      5.047748
  H      -5.855287     -3.200078      4.599847
  H      -1.489952     -6.146758      7.126659
  H      -1.981364     -5.903697      9.559368
  H      -5.704428     -5.784589      6.270305
  N      -3.960870     -2.804009      5.388753
  N      -4.779388     -1.488511      5.494935
  H      -4.077246     -0.898498      5.968567
  H      -6.552652     -1.051084      5.493171
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.446122481419
  N      -3.492336     -3.352267      2.413287
  C      -2.690540     -3.935137      1.341154
  C      -2.338310     -5.373887      1.704729
  N      -3.452479     -6.030237      2.447597
  C      -4.625248     -6.343656      1.576534
  C      -5.901984     -6.384980      2.412856
  N      -5.886216     -5.241538      3.311572
  Mo     -4.136543     -4.506642      3.906554
  N      -3.337847     -5.892883      5.134336
  C      -2.366591     -6.801973      4.524287
  C      -2.960436     -7.232372      3.184155
  H      -2.217465     -7.695663      5.151896
  H      -1.374496     -6.332890      4.394210
  H      -3.830211     -7.872653      3.380837
  H      -2.244091     -7.790507      2.558510
  H      -6.770249     -6.341176      1.732484
  H      -5.980703     -7.332747      2.979525
  H      -4.707531     -5.536210      0.837432
  H      -4.458450     -7.292085      1.039265
  H      -1.753814     -3.374443      1.173645
  H      -3.251425     -3.895104      0.387040
  H      -1.469839     -5.381054      2.378740
  H      -2.080115     -5.963154      0.808378
  C      -3.840367     -1.990537      2.300744
  C      -2.870573     -0.966318      2.282698
  C      -3.245362      0.374332      2.291945
  C      -4.597241      0.691728      2.315869
  F      -4.952074      2.003871      2.332298
  C      -5.595734     -0.289425      2.312502
  C      -7.038828      0.007685      2.356566
  O      -7.913437     -0.839252      2.221667
  C      -7.529205      1.453609      2.595763
  O      -8.153753      2.070965      1.768175
  C      -7.254778      1.962379      4.027736
  O      -6.742446      1.274572      4.864927
  Cl     -7.754014      3.635695      4.302782
  C      -5.189574     -1.632799      2.288387
  C      -7.029992     -4.830444      4.002699
  C      -8.266381     -5.490583      4.103504
  C      -9.253645     -4.959870      4.943541
  C      -9.034775     -3.795286      5.672349
  F     -10.018651     -3.349396      6.479659
  C      -7.810784     -3.103692      5.583343
  C      -7.531710     -1.804102      6.245225
  O      -8.375960     -1.066514      6.705037
  C      -5.926761     -1.471614      6.420103
  O      -3.634816     -3.246514      6.515228
  C      -5.799052     -0.368707      7.416808
  O      -6.583662      0.402287      7.863840
  Cl     -4.062537     -0.339946      8.125640
  C      -6.859048     -3.653397      4.740499
  C      -3.551457     -5.945291      6.517693
  C      -2.510809     -6.040982      7.464621
  C      -2.771732     -5.898607      8.825217
  C      -4.073676     -5.659018      9.246764
  F      -4.301603     -5.465196     10.568071
  C      -5.148472     -5.636558      8.346604
  C      -6.545951     -5.405690      8.730626
  O      -7.506425     -5.568767      7.982452
  C      -6.957982     -4.883174     10.113968
  O      -7.277193     -5.593968     11.035407
  C      -7.046592     -3.336122     10.154887
  O      -6.351073     -2.637430      9.477672
  Cl     -8.218921     -2.723050     11.333895
  C      -4.863494     -5.808654      6.983254
  H      -1.810975     -1.226710      2.293712
  H      -2.505730      1.175080      2.296541
  H      -5.960537     -2.404338      2.268153
  H      -8.463158     -6.417895      3.564412
  H     -10.213772     -5.464594      5.055731
  H      -5.873417     -3.204228      4.612969
  H      -1.479739     -6.163827      7.129647
  H      -1.970243     -5.930983      9.563462
  H      -5.693787     -5.786965      6.275958
  N      -3.982279     -2.831713      5.390999
  N      -4.795975     -1.501200      5.471787
  H      -4.092575     -0.903495      5.935496
  H      -6.565572     -1.045440      5.477489
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.451899381635
  N      -3.487786     -3.344249      2.427285
  C      -2.693951     -3.926721      1.348173
  C      -2.344218     -5.367864      1.703797
  N      -3.455846     -6.026434      2.447279
  C      -4.632958     -6.334836      1.582575
  C      -5.904551     -6.375836      2.426141
  N      -5.885645     -5.233706      3.327803
  Mo     -4.129073     -4.502301      3.917304
  N      -3.325516     -5.895147      5.139313
  C      -2.359530     -6.802935      4.520574
  C      -2.961231     -7.228931      3.180503
  H      -2.208667     -7.699364      5.143977
  H      -1.367328     -6.335236      4.386165
  H      -3.830198     -7.869253      3.380668
  H      -2.247198     -7.787188      2.551953
  H      -6.776317     -6.331479      1.750249
  H      -5.980935     -7.324740      2.991443
  H      -4.717470     -5.525415      0.845771
  H      -4.473395     -7.282584      1.041436
  H      -1.756895     -3.367872      1.176549
  H      -3.260569     -3.882061      0.397605
  H      -1.473027     -5.379287      2.374313
  H      -2.089503     -5.952839      0.803467
  C      -3.834711     -1.982234      2.313154
  C      -2.863835     -0.958796      2.296033
  C      -3.236075      0.382746      2.299479
  C      -4.587284      0.701524      2.314314
  F      -4.941125      2.015098      2.323711
  C      -5.587312     -0.277783      2.308607
  C      -7.029809      0.020269      2.339847
  O      -7.907361     -0.823077      2.208487
  C      -7.514721      1.473163      2.561086
  O      -8.126120      2.093319      1.728703
  C      -7.248106      1.983443      3.999470
  O      -6.747043      1.288285      4.836871
  Cl     -7.734092      3.659561      4.269829
  C      -5.183294     -1.622471      2.293534
  C      -7.035870     -4.833017      4.015151
  C      -8.268091     -5.500827      4.115279
  C      -9.260807     -4.976939      4.954821
  C      -9.051493     -3.811889      5.683780
  F     -10.038133     -3.371157      6.491661
  C      -7.831219     -3.111844      5.596898
  C      -7.554530     -1.813522      6.258412
  O      -8.392030     -1.075813      6.723135
  C      -5.945930     -1.465335      6.394730
  O      -3.648772     -3.250965      6.518988
  C      -5.810342     -0.365105      7.392837
  O      -6.588347      0.411449      7.842127
  Cl     -4.071593     -0.339689      8.095055
  C      -6.876915     -3.654954      4.753941
  C      -3.539684     -5.952796      6.521868
  C      -2.500161     -6.056594      7.469793
  C      -2.761166     -5.919690      8.830604
  C      -4.062410     -5.677500      9.253797
  F      -4.289792     -5.487823     10.575358
  C      -5.136118     -5.648581      8.352894
  C      -6.531848     -5.410995      8.737233
  O      -7.493758     -5.568228      7.988336
  C      -6.949926     -4.888935     10.118023
  O      -7.265299     -5.599114     11.041309
  C      -7.050685     -3.343140     10.149044
  O      -6.368967     -2.645047      9.457191
  Cl     -8.210262     -2.729136     11.340145
  C      -4.851910     -5.816058      6.988434
  H      -1.804854     -1.221595      2.312529
  H      -2.495256      1.182344      2.305083
  H      -5.955365     -2.392966      2.273456
  H      -8.459510     -6.429390      3.576298
  H     -10.217076     -5.489323      5.065304
  H      -5.891863     -3.207754      4.626849
  H      -1.468968     -6.180558      7.135346
  H      -1.960183     -5.958352      9.569190
  H      -5.681976     -5.787399      6.281081
  N      -4.004943     -2.856490      5.394651
  N      -4.811409     -1.515468      5.450407
  H      -4.107381     -0.908946      5.904576
  H      -6.577679     -1.040974      5.462964
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.457734517640
  N      -3.482834     -3.336779      2.440939
  C      -2.697312     -3.919297      1.355046
  C      -2.349911     -5.362435      1.703439
  N      -3.459046     -6.022860      2.447862
  C      -4.640078     -6.326540      1.589217
  C      -5.906514     -6.366748      2.440062
  N      -5.884378     -5.225541      3.344316
  Mo     -4.121544     -4.497462      3.928059
  N      -3.313602     -5.897838      5.144373
  C      -2.353394     -6.804464      4.517019
  C      -2.962336     -7.225915      3.177617
  H      -2.201080     -7.703699      5.136199
  H      -1.360911     -6.338511      4.378183
  H      -3.830672     -7.866119      3.380992
  H      -2.250669     -7.784328      2.546186
  H      -6.781839     -6.321848      1.768841
  H      -5.980738     -7.316517      3.004318
  H      -4.726629     -5.515351      0.854470
  H      -4.487463     -7.273661      1.044583
  H      -1.759886     -3.362427      1.179155
  H      -3.269668     -3.870040      0.408083
  H      -1.475936     -5.377900      2.370385
  H      -2.098796     -5.943452      0.799382
  C      -3.828534     -1.973976      2.324815
  C      -2.856592     -0.951630      2.308189
  C      -3.226148      0.390789      2.305694
  C      -4.576568      0.711175      2.311777
  F      -4.929058      2.025950      2.314221
  C      -5.578299     -0.265934      2.304320
  C      -7.020115      0.033883      2.324020
  O      -7.900409     -0.806152      2.197615
  C      -7.500806      1.493134      2.527934
  O      -8.099434      2.115924      1.691264
  C      -7.242499      2.007046      3.972208
  O      -6.754624      1.306284      4.812459
  Cl     -7.720652      3.684160      4.235730
  C      -5.176542     -1.611913      2.298193
  C      -7.041671     -4.835051      4.027367
  C      -8.269532     -5.510618      4.126466
  C      -9.268181     -4.993460      4.964926
  C      -9.068391     -3.827851      5.693681
  F     -10.058018     -3.392228      6.501656
  C      -7.851370     -3.119779      5.609166
  C      -7.576909     -1.822660      6.270316
  O      -8.408223     -1.084065      6.738604
  C      -5.965061     -1.459431      6.370190
  O      -3.663407     -3.254972      6.528119
  C      -5.821999     -0.361356      7.368819
  O      -6.593032      0.420903      7.819637
  Cl     -4.079823     -0.338894      8.065365
  C      -6.894577     -3.656354      4.766646
  C      -3.528559     -5.960695      6.525441
  C      -2.489766     -6.072283      7.473704
  C      -2.750140     -5.940727      8.834896
  C      -4.050606     -5.696189      9.259931
  F      -4.277558     -5.510702     10.581814
  C      -5.123649     -5.661112      8.358289
  C      -6.517071     -5.417195      8.744005
  O      -7.481537     -5.569065      7.995912
  C      -6.939970     -4.895171     10.122420
  O      -7.250276     -5.604417     11.048231
  C      -7.054601     -3.350574     10.143299
  O      -6.388448     -2.652470      9.436013
  Cl     -8.201331     -2.736228     11.346528
  C      -4.840671     -5.823951      6.993098
  H      -1.798275     -1.216990      2.329944
  H      -2.484000      1.189113      2.312007
  H      -5.949883     -2.381219      2.278804
  H      -8.455234     -6.440540      3.587651
  H     -10.220549     -5.513446      5.073497
  H      -5.910170     -3.210755      4.640655
  H      -1.458652     -6.197399      7.139157
  H      -1.949291     -5.985519      9.573370
  H      -5.670819     -5.788454      6.286074
  N      -4.029253     -2.879620      5.399492
  N      -4.826864     -1.529845      5.430147
  H      -4.122881     -0.913930      5.875107
  H      -6.589458     -1.037156      5.448436
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.463628302587
  N      -3.476022     -3.329876      2.453950
  C      -2.699612     -3.913542      1.361533
  C      -2.354995     -5.358572      1.703515
  N      -3.462286     -6.019988      2.449052
  C      -4.646915     -6.318843      1.595962
  C      -5.908333     -6.356883      2.453947
  N      -5.882977     -5.216205      3.360507
  Mo     -4.113710     -4.492238      3.938130
  N      -3.302669     -5.900349      5.148462
  C      -2.348739     -6.806782      4.512936
  C      -2.964338     -7.223926      3.175409
  H      -2.195395     -7.708741      5.128081
  H      -1.355695     -6.343208      4.369641
  H      -3.832526     -7.863435      3.381840
  H      -2.255542     -7.783118      2.541218
  H      -6.787278     -6.311088      1.787606
  H      -5.980844     -7.307110      3.017634
  H      -4.734969     -5.506192      0.862892
  H      -4.501077     -7.265443      1.048352
  H      -1.761380     -3.359437      1.181225
  H      -3.277718     -3.859273      0.418297
  H      -1.478335     -5.378320      2.367014
  H      -2.107555     -5.935982      0.796009
  C      -3.819813     -1.965581      2.335609
  C      -2.846557     -0.945185      2.319452
  C      -3.213477      0.398020      2.311114
  C      -4.563233      0.720312      2.308938
  F      -4.913644      2.035683      2.304501
  C      -5.566767     -0.254600      2.300043
  C      -7.008145      0.047486      2.309709
  O      -7.889529     -0.791181      2.186640
  C      -7.488986      1.510394      2.498147
  O      -8.076740      2.133568      1.655651
  C      -7.247496      2.028792      3.947958
  O      -6.771264      1.328032      4.795154
  Cl     -7.725935      3.705486      4.199938
  C      -5.167154     -1.601356      2.302195
  C      -7.047660     -4.835342      4.039189
  C      -8.271058     -5.518796      4.137196
  C      -9.275727     -5.008319      4.974239
  C      -9.085192     -3.841892      5.702827
  F     -10.077806     -3.411613      6.510462
  C      -7.871140     -3.126808      5.620518
  C      -7.598085     -1.830817      6.281709
  O      -8.423470     -1.090086      6.752859
  C      -5.983066     -1.453518      6.347825
  O      -3.678688     -3.256873      6.543508
  C      -5.831862     -0.356099      7.345833
  O      -6.596482      0.431963      7.795872
  Cl     -4.085253     -0.335563      8.038828
  C      -6.911846     -3.656872      4.778532
  C      -3.518474     -5.968640      6.527818
  C      -2.480175     -6.088009      7.475649
  C      -2.739437     -5.961984      8.837626
  C      -4.038976     -5.715210      9.264148
  F      -4.265883     -5.534170     10.586507
  C      -5.111879     -5.673734      8.361637
  C      -6.502822     -5.423910      8.749046
  O      -7.470281     -5.570175      8.002866
  C      -6.928189     -4.901065     10.125684
  O      -7.232589     -5.608701     11.054731
  C      -7.057190     -3.357269     10.137488
  O      -6.408028     -2.658173      9.414953
  Cl     -8.189760     -2.743796     11.354105
  C      -4.830075     -5.831744      6.996359
  H      -1.788929     -1.213138      2.346468
  H      -2.469908      1.194990      2.318091
  H      -5.941715     -2.369546      2.283977
  H      -8.450857     -6.450053      3.598496
  H     -10.224172     -5.535755      5.080868
  H      -5.928577     -3.211991      4.654237
  H      -1.449425     -6.214364      7.140280
  H      -1.938467     -6.013051      9.575603
  H      -5.660397     -5.789317      6.289805
  N      -4.054747     -2.900396      5.407212
  N      -4.840903     -1.543878      5.412196
  H      -4.137782     -0.918484      5.848339
  H      -6.600598     -1.032475      5.434199
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.469670688415
  N      -3.467522     -3.323229      2.465920
  C      -2.700568     -3.909123      1.366978
  C      -2.358790     -5.356489      1.703008
  N      -3.464928     -6.018076      2.450301
  C      -4.653473     -6.312124      1.602385
  C      -5.910265     -6.346966      2.467188
  N      -5.883022     -5.206523      3.376244
  Mo     -4.105795     -4.486837      3.947858
  N      -3.292955     -5.901308      5.150640
  C      -2.344524     -6.809377      4.508386
  C      -2.966162     -7.223396      3.173477
  H      -2.190551     -7.713392      5.120428
  H      -1.350820     -6.348382      4.361402
  H      -3.834610     -7.861757      3.382745
  H      -2.260722     -7.784036      2.536754
  H      -6.792653     -6.300087      1.805510
  H      -5.981124     -7.297483      3.030535
  H      -4.742807     -5.498307      0.870647
  H      -4.514075     -7.258319      1.052363
  H      -1.761233     -3.358333      1.182149
  H      -3.284484     -3.849593      0.427638
  H      -1.479448     -5.380761      2.362967
  H      -2.115277     -5.930594      0.792263
  C      -3.808977     -1.956994      2.345633
  C      -2.833997     -0.939281      2.330108
  C      -3.198664      0.404603      2.316993
  C      -4.548133      0.728925      2.308082
  F      -4.896440      2.044048      2.298901
  C      -5.553147     -0.244547      2.297819
  C      -6.993934      0.060903      2.300220
  O      -7.875465     -0.778711      2.181051
  C      -7.478073      1.523965      2.475119
  O      -8.057788      2.142345      1.622493
  C      -7.255302      2.052622      3.924863
  O      -6.789322      1.360458      4.784878
  Cl     -7.742316      3.729150      4.157155
  C      -5.155536     -1.591380      2.306469
  C      -7.055009     -4.834571      4.050419
  C      -8.274093     -5.526229      4.146991
  C      -9.284502     -5.022205      4.982098
  C      -9.103334     -3.854318      5.710966
  F     -10.099067     -3.429684      6.517525
  C      -7.892614     -3.133575      5.630569
  C      -7.619311     -1.838392      6.291645
  O      -8.438414     -1.094052      6.765345
  C      -6.001564     -1.448445      6.326187
  O      -3.696493     -3.257492      6.560160
  C      -5.840996     -0.350174      7.323053
  O      -6.602274      0.442742      7.768990
  Cl     -4.090865     -0.328667      8.014078
  C      -6.930144     -3.657061      4.789530
  C      -3.509002     -5.976271      6.529562
  C      -2.470741     -6.102787      7.475939
  C      -2.728644     -5.982207      8.839192
  C      -4.027083     -5.733786      9.266801
  F      -4.253618     -5.557190     10.589905
  C      -5.100740     -5.686337      8.364134
  C      -6.490029     -5.431244      8.752435
  O      -7.459437     -5.573039      8.008346
  C      -6.914165     -4.906400     10.128501
  O      -7.210994     -5.611604     11.061738
  C      -7.058186     -3.363023     10.132642
  O      -6.428295     -2.661653      9.395125
  Cl     -8.173979     -2.752748     11.365538
  C      -4.819850     -5.839598      6.999059
  H      -1.776969     -1.209314      2.361923
  H      -2.453797      1.200344      2.324898
  H      -5.930949     -2.358806      2.289853
  H      -8.447819     -6.458764      3.608401
  H     -10.229108     -5.556815      5.086747
  H      -5.948399     -3.212557      4.667426
  H      -1.440653     -6.229914      7.138892
  H      -1.927312     -6.039057      9.576313
  H      -5.650306     -5.790595      6.292968
  N      -4.081806     -2.920740      5.416718
  N      -4.855299     -1.557948      5.395397
  H      -4.153844     -0.923518      5.822963
  H      -6.612619     -1.027267      5.419502
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.475439523006
  N      -3.460396     -3.316279      2.480019
  C      -2.701570     -3.903757      1.375733
  C      -2.362370     -5.353875      1.705693
  N      -3.467478     -6.016057      2.453209
  C      -4.659751     -6.304055      1.610170
  C      -5.912091     -6.337030      2.480725
  N      -5.884832     -5.197913      3.392349
  Mo     -4.098266     -4.483165      3.959421
  N      -3.285136     -5.901570      5.152118
  C      -2.340814     -6.811325      4.504810
  C      -2.968280     -7.222990      3.172353
  H      -2.186419     -7.716528      5.114853
  H      -1.346829     -6.351936      4.355608
  H      -3.837132     -7.860012      3.384308
  H      -2.266429     -7.785000      2.532892
  H      -6.797052     -6.288668      1.822452
  H      -5.981347     -7.288513      3.042615
  H      -4.750319     -5.488162      0.880813
  H      -4.526581     -7.249330      1.056953
  H      -1.761260     -3.355745      1.187497
  H      -3.290247     -3.839441      0.439670
  H      -1.480910     -5.382824      2.362777
  H      -2.122126     -5.924448      0.791834
  C      -3.800118     -1.948672      2.359358
  C      -2.823554     -0.933284      2.345363
  C      -3.186654      0.411016      2.329488
  C      -4.536149      0.736726      2.314727
  F      -4.882989      2.051421      2.302563
  C      -5.541940     -0.236259      2.301943
  C      -6.982027      0.072059      2.296664
  O      -7.863263     -0.769065      2.179418
  C      -7.469399      1.534364      2.456147
  O      -8.040452      2.142358      1.588353
  C      -7.269648      2.076885      3.902070
  O      -6.814767      1.397433      4.777882
  Cl     -7.762283      3.756420      4.107867
  C      -5.145854     -1.582783      2.315351
  C      -7.062321     -4.833041      4.061309
  C      -8.278582     -5.531028      4.155216
  C      -9.293969     -5.031538      4.987475
  C      -9.120891     -3.861882      5.716197
  F     -10.119682     -3.440408      6.520436
  C      -7.912809     -3.138053      5.637153
  C      -7.635628     -1.842642      6.295123
  O      -8.446381     -1.092963      6.771718
  C      -6.016543     -1.444267      6.295162
  O      -3.708690     -3.268486      6.567495
  C      -5.843990     -0.347578      7.294182
  O      -6.604114      0.448606      7.736702
  Cl     -4.094020     -0.326442      7.982119
  C      -6.946507     -3.656582      4.799274
  C      -3.500729     -5.985464      6.531550
  C      -2.461148     -6.117558      7.474992
  C      -2.717278     -6.001240      8.839529
  C      -4.014638     -5.751799      9.268655
  F      -4.239049     -5.578154     10.592685
  C      -5.090093     -5.700345      8.367538
  C      -6.478762     -5.439709      8.755756
  O      -7.448686     -5.578982      8.013048
  C      -6.898431     -4.910613     10.131767
  O      -7.184860     -5.612185     11.070759
  C      -7.059603     -3.368046     10.125866
  O      -6.451888     -2.665547      9.370993
  Cl     -8.153776     -2.760031     11.378318
  C      -4.810707     -5.849998      7.002257
  H      -1.766906     -1.204401      2.381326
  H      -2.440973      1.205981      2.339126
  H      -5.921426     -2.350082      2.299334
  H      -8.447305     -6.464574      3.616744
  H     -10.235874     -5.571331      5.089919
  H      -5.964518     -3.216289      4.679547
  H      -1.431938     -6.244189      7.135345
  H      -1.915352     -6.062136      9.575622
  H      -5.641197     -5.794823      6.296556
  N      -4.103189     -2.948548      5.420751
  N      -4.868531     -1.572727      5.371999
  H      -4.166680     -0.931033      5.789885
  H      -6.620820     -1.023221      5.400551
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.481803260190
  N      -3.449370     -3.310866      2.491501
  C      -2.700339     -3.901399      1.382392
  C      -2.365067     -5.353964      1.707713
  N      -3.470106     -6.014571      2.456135
  C      -4.665684     -6.296617      1.617625
  C      -5.913581     -6.325372      2.493713
  N      -5.886580     -5.187166      3.407369
  Mo     -4.089799     -4.478533      3.968551
  N      -3.278192     -5.899990      5.150681
  C      -2.338828     -6.813078      4.499450
  C      -2.971595     -7.223144      3.171711
  H      -2.184515     -7.719384      5.107735
  H      -1.344095     -6.356466      4.347715
  H      -3.841390     -7.858219      3.386164
  H      -2.273881     -7.787553      2.530048
  H      -6.801448     -6.275311      1.839450
  H      -5.981461     -7.277059      3.055211
  H      -4.756772     -5.479591      0.889501
  H      -4.538447     -7.241426      1.062463
  H      -1.758244     -3.357664      1.190414
  H      -3.293991     -3.831459      0.449927
  H      -1.481564     -5.388237      2.361956
  H      -2.128587     -5.921787      0.791206
  C      -3.786663     -1.941249      2.370756
  C      -2.808265     -0.929343      2.358135
  C      -3.170451      0.415194      2.339833
  C      -4.520506      0.742316      2.320520
  F      -4.865909      2.055192      2.306130
  C      -5.526702     -0.230971      2.306225
  C      -6.966180      0.081633      2.296943
  O      -7.845276     -0.764558      2.182500
  C      -7.463276      1.538217      2.446692
  O      -8.030732      2.132296      1.561930
  C      -7.292003      2.097457      3.885186
  O      -6.845338      1.441049      4.782683
  Cl     -7.807111      3.775807      4.057831
  C      -5.131592     -1.576176      2.323054
  C      -7.069984     -4.829407      4.071468
  C      -8.282862     -5.534957      4.163497
  C      -9.303058     -5.040610      4.992906
  C      -9.138185     -3.868476      5.722013
  F     -10.139736     -3.451822      6.524083
  C      -7.932872     -3.142918      5.644014
  C      -7.651001     -1.847765      6.300755
  O      -8.453808     -1.090526      6.778802
  C      -6.029614     -1.441458      6.270724
  O      -3.725896     -3.272904      6.583818
  C      -5.844761     -0.342447      7.268251
  O      -6.606190      0.457369      7.701247
  Cl     -4.093349     -0.317588      7.957786
  C      -6.962891     -3.655591      4.808110
  C      -3.493382     -5.991925      6.530762
  C      -2.453499     -6.130154      7.471409
  C      -2.708496     -6.018605      8.837841
  C      -4.004695     -5.767916      9.266498
  F      -4.228950     -5.598172     10.591609
  C      -5.081831     -5.710933      8.365678
  C      -6.470330     -5.445462      8.752673
  O      -7.440132     -5.581455      8.011858
  C      -6.882816     -4.912971     10.130176
  O      -7.159045     -5.611176     11.074371
  C      -7.058738     -3.370081     10.120101
  O      -6.474213     -2.663645      9.350772
  Cl     -8.130495     -2.768233     11.393567
  C      -4.802218     -5.856362      7.001415
  H      -1.751901     -1.201207      2.397687
  H      -2.424125      1.209563      2.350870
  H      -5.906868     -2.343842      2.308623
  H      -8.446142     -6.469524      3.625080
  H     -10.241861     -5.586079      5.093500
  H      -5.982054     -3.217198      4.690948
  H      -1.425333     -6.257299      7.129195
  H      -1.906283     -6.084558      9.573026
  H      -5.632244     -5.794809      6.295517
  N      -4.128721     -2.971589      5.429070
  N      -4.878474     -1.589488      5.353470
  H      -4.178064     -0.940081      5.762695
  H      -6.626559     -1.019054      5.383113
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.486700073659
  N      -3.430607     -3.307380      2.496087
  C      -2.692731     -3.904505      1.383032
  C      -2.363390     -5.361352      1.705332
  N      -3.470305     -6.015968      2.457791
  C      -4.670804     -6.292327      1.623096
  C      -5.915852     -6.312638      2.502832
  N      -5.894629     -5.175108      3.418922
  Mo     -4.079924     -4.473490      3.975140
  N      -3.275150     -5.890594      5.140366
  C      -2.337989     -6.814484      4.491719
  C      -2.974083     -7.227295      3.171085
  H      -2.185942     -7.719570      5.101627
  H      -1.341915     -6.361821      4.340794
  H      -3.846364     -7.858695      3.387117
  H      -2.281719     -7.796779      2.529046
  H      -6.805605     -6.260264      1.851103
  H      -5.982605     -7.263841      3.064803
  H      -4.761393     -5.475871      0.894190
  H      -4.548526     -7.237774      1.068875
  H      -1.747581     -3.367487      1.186737
  H      -3.291717     -3.828091      0.454761
  H      -1.477762     -5.402629      2.356277
  H      -2.132762     -5.928201      0.787129
  C      -3.764103     -1.934939      2.376937
  C      -2.781947     -0.929359      2.365152
  C      -3.144774      0.414946      2.348062
  C      -4.497357      0.743716      2.330385
  F      -4.842206      2.051314      2.318854
  C      -5.502232     -0.233932      2.316221
  C      -6.940175      0.086950      2.313372
  O      -7.814265     -0.773249      2.200799
  C      -7.457214      1.524038      2.466689
  O      -8.031170      2.084205      1.547512
  C      -7.329920      2.111242      3.879961
  O      -6.887203      1.510304      4.816214
  Cl     -7.895266      3.787103      3.993134
  C      -5.107587     -1.574796      2.330310
  C      -7.082340     -4.820451      4.079093
  C      -8.293725     -5.533799      4.169079
  C      -9.316054     -5.043050      4.994521
  C      -9.158845     -3.865665      5.726350
  F     -10.162987     -3.455274      6.524415
  C      -7.957837     -3.144930      5.647889
  C      -7.666340     -1.849608      6.303707
  O      -8.461021     -1.080288      6.782181
  C      -6.043733     -1.438439      6.254863
  O      -3.751123     -3.268336      6.600676
  C      -5.847028     -0.331595      7.249500
  O      -6.628051      0.464509      7.657004
  Cl     -4.101558     -0.286113      7.953072
  C      -6.982359     -3.651793      4.814190
  C      -3.486489     -5.994976      6.527496
  C      -2.446843     -6.138803      7.463712
  C      -2.702325     -6.032703      8.833857
  C      -3.996892     -5.782028      9.258269
  F      -4.221461     -5.617244     10.585616
  C      -5.077291     -5.718449      8.359040
  C      -6.470491     -5.449669      8.738276
  O      -7.432476     -5.583517      7.996355
  C      -6.862595     -4.912934     10.122808
  O      -7.125682     -5.607270     11.072428
  C      -7.047514     -3.366922     10.120830
  O      -6.490542     -2.650119      9.342533
  Cl     -8.089058     -2.782672     11.425279
  C      -4.793698     -5.859102      6.996881
  H      -1.725364     -1.199911      2.405322
  H      -2.398402      1.209365      2.360020
  H      -5.880696     -2.344678      2.319114
  H      -8.452382     -6.468942      3.630550
  H     -10.252772     -5.592377      5.093804
  H      -6.003887     -3.213556      4.700745
  H      -1.420280     -6.265995      7.117878
  H      -1.900304     -6.103605      9.568323
  H      -5.621874     -5.791637      6.289096
  N      -4.156480     -2.987005      5.442885
  N      -4.887638     -1.603393      5.342703
  H      -4.191544     -0.948837      5.745218
  H      -6.632461     -1.012916      5.369006
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.492489868439
  N      -3.432372     -3.299278      2.505838
  C      -2.704951     -3.895612      1.386746
  C      -2.375151     -5.350167      1.706252
  N      -3.476004     -6.006255      2.461287
  C      -4.679240     -6.281363      1.635249
  C      -5.917486     -6.307457      2.522033
  N      -5.892287     -5.170421      3.437045
  Mo     -4.075643     -4.465196      3.983097
  N      -3.259457     -5.886496      5.147027
  C      -2.328401     -6.804831      4.491230
  C      -2.975732     -7.215353      3.171093
  H      -2.171184     -7.710698      5.099180
  H      -1.333776     -6.351630      4.331736
  H      -3.845748     -7.847684      3.393072
  H      -2.285602     -7.784160      2.524920
  H      -6.811233     -6.259136      1.875492
  H      -5.978696     -7.259670      3.083988
  H      -4.774384     -5.463592      0.908235
  H      -4.562120     -7.226417      1.078147
  H      -1.761531     -3.358594      1.182397
  H      -3.311317     -3.819915      0.463135
  H      -1.486280     -5.390618      2.352502
  H      -2.148015     -5.915401      0.785668
  C      -3.766320     -1.929562      2.381363
  C      -2.783837     -0.921624      2.366260
  C      -3.143004      0.424270      2.339985
  C      -4.492917      0.754215      2.314413
  F      -4.838236      2.066220      2.294271
  C      -5.500175     -0.220207      2.302228
  C      -6.935344      0.101519      2.292222
  O      -7.821555     -0.742887      2.191798
  C      -7.425958      1.555000      2.426184
  O      -7.978786      2.133886      1.517542
  C      -7.282061      2.132213      3.853909
  O      -6.851837      1.496340      4.771179
  Cl     -7.800687      3.817664      3.990028
  C      -5.109840     -1.565501      2.327944
  C      -7.085657     -4.829678      4.091540
  C      -8.290917     -5.551851      4.181122
  C      -9.319553     -5.068477      5.005884
  C      -9.173466     -3.892667      5.737128
  F     -10.180740     -3.488247      6.537556
  C      -7.976859     -3.157786      5.662527
  C      -7.689748     -1.867060      6.321542
  O      -8.478332     -1.104975      6.806698
  C      -6.063229     -1.446042      6.237839
  O      -3.770483     -3.271013      6.588797
  C      -5.857910     -0.345435      7.233280
  O      -6.618907      0.461918      7.656862
  Cl     -4.105172     -0.317900      7.911386
  C      -6.999850     -3.657000      4.827867
  C      -3.471816     -5.990886      6.530840
  C      -2.433819     -6.138730      7.470459
  C      -2.690866     -6.038357      8.838711
  C      -3.986268     -5.789690      9.267471
  F      -4.209938     -5.631370     10.594362
  C      -5.063828     -5.723537      8.367975
  C      -6.455529     -5.455861      8.750163
  O      -7.419998     -5.588867      8.005089
  C      -6.866113     -4.924389     10.129751
  O      -7.127848     -5.621565     11.078207
  C      -7.071554     -3.384053     10.114150
  O      -6.525545     -2.670544      9.325031
  Cl     -8.117686     -2.797568     11.415810
  C      -4.781400     -5.858193      7.002246
  H      -1.728311     -1.195235      2.411278
  H      -2.395184      1.217262      2.349956
  H      -5.885501     -2.332821      2.320709
  H      -8.442700     -6.488754      3.643625
  H     -10.251139     -5.626814      5.104011
  H      -6.022837     -3.217812      4.713027
  H      -1.405734     -6.265203      7.127732
  H      -1.889294     -6.113075      9.573553
  H      -5.609778     -5.788440      6.295027
  N      -4.182308     -3.007956      5.444157
  N      -4.904816     -1.624118      5.325734
  H      -4.208265     -0.958728      5.720523
  H      -6.649150     -1.013434      5.361723
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.497058104494
  N      -3.428085     -3.295372      2.513164
  C      -2.711360     -3.892937      1.389231
  C      -2.381114     -5.344316      1.708685
  N      -3.479402     -5.998695      2.466495
  C      -4.683292     -6.272695      1.644370
  C      -5.916713     -6.303415      2.535940
  N      -5.890922     -5.165917      3.449775
  Mo     -4.074475     -4.457634      3.988804
  N      -3.254073     -5.881738      5.149533
  C      -2.328448     -6.800297      4.490190
  C      -2.979600     -7.208374      3.173326
  H      -2.169487     -7.706144      5.098099
  H      -1.333797     -6.348640      4.325380
  H      -3.849356     -7.840121      3.397896
  H      -2.292246     -7.777863      2.524201
  H      -6.813559     -6.259532      1.893484
  H      -5.972673     -7.256104      3.098162
  H      -4.781433     -5.454115      0.918583
  H      -4.567651     -7.216987      1.085190
  H      -1.768342     -3.357792      1.177501
  H      -3.324131     -3.816466      0.469765
  H      -1.489888     -5.384305      2.351726
  H      -2.156423     -5.909295      0.786865
  C      -3.759906     -1.925728      2.384326
  C      -2.776023     -0.919432      2.367581
  C      -3.131739      0.427609      2.333864
  C      -4.479643      0.760648      2.302267
  F      -4.821509      2.074338      2.276413
  C      -5.490196     -0.209959      2.291527
  C      -6.924438      0.115721      2.280718
  O      -7.814706     -0.723399      2.191994
  C      -7.409018      1.574060      2.403048
  O      -7.952251      2.156761      1.496190
  C      -7.265838      2.154447      3.832630
  O      -6.842455      1.514376      4.751335
  Cl     -7.782297      3.839622      3.964741
  C      -5.103469     -1.557667      2.324883
  C      -7.088313     -4.834853      4.099561
  C      -8.287661     -5.565964      4.187776
  C      -9.322431     -5.088371      5.009645
  C      -9.185824     -3.912240      5.739968
  F     -10.197132     -3.514506      6.539306
  C      -7.992396     -3.167458      5.668853
  C      -7.709342     -1.879584      6.333449
  O      -8.496203     -1.121646      6.825259
  C      -6.079724     -1.445742      6.226366
  O      -3.790842     -3.261797      6.604384
  C      -5.866589     -0.346705      7.221572
  O      -6.615213      0.467477      7.650167
  Cl     -4.107456     -0.326757      7.887740
  C      -7.012983     -3.660725      4.834056
  C      -3.467496     -5.989462      6.529894
  C      -2.429041     -6.140896      7.468455
  C      -2.684642     -6.047768      8.836641
  C      -3.980025     -5.801941      9.268819
  F      -4.203063     -5.650535     10.596285
  C      -5.057602     -5.731527      8.369531
  C      -6.446697     -5.462538      8.755487
  O      -7.415305     -5.592600      8.012213
  C      -6.859081     -4.934167     10.135208
  O      -7.112575     -5.633327     11.084821
  C      -7.076267     -3.395561     10.117955
  O      -6.547821     -2.680202      9.317601
  Cl     -8.104409     -2.811696     11.435954
  C      -4.777024     -5.859585      7.003101
  H      -1.721483     -1.196112      2.417369
  H      -2.381871      1.218684      2.342791
  H      -5.881460     -2.322521      2.321682
  H      -8.431818     -6.504718      3.651358
  H     -10.249922     -5.653695      5.106518
  H      -6.039350     -3.216414      4.720919
  H      -1.400937     -6.266432      7.124930
  H      -1.881963     -6.126832      9.569910
  H      -5.606129     -5.786122      6.297212
  N      -4.210884     -3.018171      5.452552
  N      -4.917589     -1.638501      5.315572
  H      -4.224246     -0.960908      5.702877
  H      -6.664452     -1.003570      5.354402
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.501187741648
  N      -3.425607     -3.291435      2.515950
  C      -2.719027     -3.889475      1.386802
  C      -2.385896     -5.337357      1.707248
  N      -3.481197     -5.989679      2.469642
  C      -4.687141     -6.264355      1.650898
  C      -5.916413     -6.305453      2.546448
  N      -5.894055     -5.167989      3.459566
  Mo     -4.076501     -4.451452      3.992671
  N      -3.250499     -5.871839      5.148152
  C      -2.326187     -6.792551      4.489149
  C      -2.980848     -7.200763      3.173656
  H      -2.164162     -7.695414      5.100459
  H      -1.332608     -6.340213      4.319863
  H      -3.850025     -7.832058      3.401228
  H      -2.296458     -7.770771      2.521450
  H      -6.815506     -6.269519      1.906487
  H      -5.964055     -7.259568      3.107718
  H      -4.790330     -5.444570      0.927282
  H      -4.570522     -7.207444      1.089149
  H      -1.777888     -3.354514      1.165821
  H      -3.339059     -3.814733      0.472056
  H      -1.492420     -5.374601      2.346977
  H      -2.163194     -5.903392      0.785120
  C      -3.755446     -1.924028      2.382790
  C      -2.768835     -0.919002      2.363908
  C      -3.119993      0.429513      2.322175
  C      -4.465597      0.766228      2.285179
  F      -4.804090      2.082703      2.253379
  C      -5.479763     -0.201312      2.276550
  C      -6.912236      0.127155      2.266686
  O      -7.810229     -0.704586      2.191172
  C      -7.380251      1.592491      2.378627
  O      -7.912072      2.178306      1.469320
  C      -7.231122      2.169576      3.809073
  O      -6.813707      1.518357      4.721670
  Cl     -7.729556      3.861632      3.948894
  C      -5.098282     -1.551641      2.317422
  C      -7.092583     -4.843788      4.108113
  C      -8.287586     -5.582440      4.196488
  C      -9.325279     -5.107591      5.016258
  C      -9.197386     -3.930384      5.746017
  F     -10.212457     -3.539121      6.544622
  C      -8.009641     -3.175063      5.677863
  C      -7.731386     -1.890556      6.349191
  O      -8.518311     -1.141929      6.852740
  C      -6.101110     -1.441807      6.220023
  O      -3.810031     -3.244544      6.602647
  C      -5.886177     -0.347457      7.222247
  O      -6.633534      0.465947      7.657278
  Cl     -4.128610     -0.324658      7.879976
  C      -7.028152     -3.664381      4.841307
  C      -3.462484     -5.984793      6.529354
  C      -2.423402     -6.138781      7.467669
  C      -2.678840     -6.054393      8.835321
  C      -3.974207     -5.813624      9.272286
  F      -4.193492     -5.671297     10.600740
  C      -5.051498     -5.738797      8.375816
  C      -6.440827     -5.469504      8.762419
  O      -7.407532     -5.596459      8.015131
  C      -6.855184     -4.947651     10.143749
  O      -7.102007     -5.652261     11.091108
  C      -7.080499     -3.411814     10.129465
  O      -6.570421     -2.694486      9.319848
  Cl     -8.094035     -2.834268     11.463331
  C      -4.772348     -5.859053      7.006238
  H      -1.715458     -1.198850      2.418497
  H      -2.367727      1.218319      2.329518
  H      -5.879030     -2.313493      2.318697
  H      -8.425654     -6.523264      3.662537
  H     -10.249717     -5.677929      5.113971
  H      -6.058500     -3.211394      4.729450
  H      -1.394777     -6.261819      7.124537
  H      -1.875347     -6.137274      9.567408
  H      -5.601723     -5.782589      6.301379
  N      -4.233667     -3.021478      5.462940
  N      -4.935734     -1.644955      5.308917
  H      -4.247652     -0.955665      5.686975
  H      -6.690437     -0.984252      5.353341
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.504986009061
  N      -3.420266     -3.287988      2.522207
  C      -2.722878     -3.888645      1.388021
  C      -2.388075     -5.336340      1.708162
  N      -3.482500     -5.985579      2.474032
  C      -4.690041     -6.259952      1.657005
  C      -5.916238     -6.304571      2.555823
  N      -5.896258     -5.166465      3.468735
  Mo     -4.077996     -4.446579      3.997870
  N      -3.249650     -5.866243      5.148552
  C      -2.327241     -6.789880      4.489197
  C      -2.983098     -7.198459      3.176024
  H      -2.164516     -7.690396      5.103317
  H      -1.333865     -6.337763      4.317590
  H      -3.852500     -7.829012      3.404914
  H      -2.301504     -7.768909      2.521653
  H      -6.817016     -6.272920      1.917923
  H      -5.959490     -7.258879      3.116797
  H      -4.796190     -5.439446      0.934824
  H      -4.573442     -7.202045      1.093415
  H      -1.782794     -3.354709      1.159701
  H      -3.349128     -3.813068      0.477540
  H      -1.492687     -5.373513      2.345503
  H      -2.167963     -5.903485      0.786095
  C      -3.747118     -1.919488      2.386184
  C      -2.758009     -0.917767      2.367602
  C      -3.104993      0.431536      2.321574
  C      -4.449374      0.771969      2.280562
  F      -4.782817      2.089434      2.245700
  C      -5.466745     -0.191717      2.272102
  C      -6.899504      0.139096      2.263360
  O      -7.797319     -0.692495      2.193233
  C      -7.368429      1.606508      2.363838
  O      -7.892272      2.188897      1.447564
  C      -7.233253      2.189128      3.793564
  O      -6.818714      1.544053      4.713170
  Cl     -7.732759      3.881964      3.920657
  C      -5.088667     -1.542648      2.316363
  C      -7.098617     -4.846615      4.114540
  C      -8.290079     -5.590954      4.201298
  C      -9.332214     -5.118616      5.017912
  C      -9.210215     -3.940700      5.746234
  F     -10.228222     -3.552641      6.542929
  C      -8.024559     -3.180668      5.679016
  C      -7.743697     -1.898393      6.353559
  O      -8.526678     -1.151967      6.866967
  C      -6.115155     -1.439299      6.202978
  O      -3.822623     -3.242420      6.614307
  C      -5.895691     -0.349348      7.210526
  O      -6.644635      0.462741      7.644581
  Cl     -4.138897     -0.319874      7.868272
  C      -7.042147     -3.666077      4.843757
  C      -3.461818     -5.984472      6.528471
  C      -2.419129     -6.139147      7.462964
  C      -2.670895     -6.060193      8.831327
  C      -3.965934     -5.823459      9.272289
  F      -4.181576     -5.686351     10.601728
  C      -5.045682     -5.747277      8.378117
  C      -6.433794     -5.477423      8.767555
  O      -7.402564     -5.603272      8.022655
  C      -6.844040     -4.957150     10.150347
  O      -7.082091     -5.663702     11.098564
  C      -7.080716     -3.422805     10.136003
  O      -6.590172     -2.703317      9.315863
  Cl     -8.070571     -2.848771     11.488955
  C      -4.769910     -5.862483      7.008046
  H      -1.705579     -1.200831      2.426343
  H      -2.350282      1.218008      2.329138
  H      -5.871895     -2.302051      2.320044
  H      -8.422383     -6.533608      3.669148
  H     -10.254605     -5.692325      5.115192
  H      -6.075724     -3.208423      4.734103
  H      -1.391338     -6.259124      7.116505
  H      -1.865499     -6.144361      9.561223
  H      -5.600667     -5.783346      6.305090
  N      -4.254921     -3.034089      5.467458
  N      -4.949565     -1.655321      5.297600
  H      -4.265071     -0.956874      5.666420
  H      -6.700065     -0.969974      5.347655
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.508503596812
  N      -3.416511     -3.287865      2.521390
  C      -2.727745     -3.890418      1.383789
  C      -2.389828     -5.335210      1.706960
  N      -3.482956     -5.979748      2.477526
  C      -4.690564     -6.257178      1.660920
  C      -5.914578     -6.309820      2.561711
  N      -5.898739     -5.171025      3.472644
  Mo     -4.084551     -4.442183      3.997278
  N      -3.251583     -5.857228      5.146168
  C      -2.329507     -6.783194      4.489207
  C      -2.984626     -7.193606      3.178448
  H      -2.165158     -7.679933      5.107991
  H      -1.337073     -6.329883      4.315095
  H      -3.854061     -7.823911      3.407849
  H      -2.304852     -7.763852      2.522317
  H      -6.816900     -6.285879      1.925726
  H      -5.950590     -7.264019      3.123285
  H      -4.801008     -5.436267      0.940013
  H      -4.569682     -7.197886      1.095977
  H      -1.789735     -3.356229      1.147425
  H      -3.360173     -3.816595      0.477538
  H      -1.493279     -5.369214      2.342794
  H      -2.171299     -5.905902      0.786804
  C      -3.739987     -1.919269      2.381491
  C      -2.747907     -0.920554      2.362327
  C      -3.090007      0.429897      2.310624
  C      -4.432831      0.774846      2.265879
  F      -4.761459      2.093650      2.228061
  C      -5.453756     -0.184409      2.258692
  C      -6.885966      0.150440      2.254569
  O      -7.786188     -0.678425      2.197241
  C      -7.349705      1.621144      2.350430
  O      -7.867351      2.206376      1.433283
  C      -7.212531      2.204685      3.779916
  O      -6.801744      1.558225      4.700653
  Cl     -7.715146      3.895927      3.907994
  C      -5.080109     -1.536812      2.306874
  C      -7.102863     -4.854040      4.119602
  C      -8.290132     -5.604175      4.207543
  C      -9.335058     -5.134022      5.022738
  C      -9.218087     -3.955149      5.749587
  F     -10.238192     -3.572273      6.546321
  C      -8.035598     -3.188394      5.681964
  C      -7.756642     -1.910047      6.363997
  O      -8.542248     -1.174357      6.889343
  C      -6.131973     -1.433535      6.203741
  O      -3.835692     -3.222864      6.626507
  C      -5.909296     -0.347563      7.215975
  O      -6.657495      0.463788      7.652089
  Cl     -4.150046     -0.314926      7.864497
  C      -7.053961     -3.670869      4.844344
  C      -3.463848     -5.977644      6.524908
  C      -2.418327     -6.131078      7.457049
  C      -2.667698     -6.058666      8.825759
  C      -3.963169     -5.828455      9.270366
  F      -4.176283     -5.698583     10.600681
  C      -5.044335     -5.751000      8.377884
  C      -6.432166     -5.483454      8.769734
  O      -7.402004     -5.607726      8.025497
  C      -6.840581     -4.970183     10.155482
  O      -7.070843     -5.683151     11.101021
  C      -7.083389     -3.436930     10.150014
  O      -6.610070     -2.712135      9.324308
  Cl     -8.052100     -2.871714     11.522281
  C      -4.770563     -5.859942      7.007038
  H      -1.696692     -1.207390      2.425385
  H      -2.332462      1.213616      2.317708
  H      -5.866706     -2.292796      2.313559
  H      -8.416708     -6.549163      3.678192
  H     -10.255176     -5.711075      5.121845
  H      -6.094456     -3.199909      4.736635
  H      -1.390791     -6.247325      7.108541
  H      -1.860837     -6.143487      9.553984
  H      -5.602657     -5.779958      6.305751
  N      -4.274485     -3.030579      5.476777
  N      -4.965255     -1.658272      5.298811
  H      -4.287923     -0.950061      5.657690
  H      -6.718724     -0.946539      5.354009
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.511874820998
  N      -3.412891     -3.284912      2.524580
  C      -2.731764     -3.889375      1.382200
  C      -2.391677     -5.334919      1.704427
  N      -3.483486     -5.977039      2.479124
  C      -4.693318     -6.255751      1.664397
  C      -5.915297     -6.313267      2.567843
  N      -5.903437     -5.174462      3.478755
  Mo     -4.088964     -4.439413      4.000270
  N      -3.250471     -5.850537      5.144877
  C      -2.327648     -6.778607      4.488979
  C      -2.984440     -7.191759      3.179234
  H      -2.161808     -7.672379      5.111206
  H      -1.336433     -6.323572      4.313300
  H      -3.853447     -7.822066      3.410046
  H      -2.306058     -7.761832      2.521769
  H      -6.818794     -6.294003      1.933219
  H      -5.946005     -7.267764      3.129229
  H      -4.807845     -5.433571      0.945606
  H      -4.571029     -7.194998      1.097376
  H      -1.796061     -3.354366      1.138944
  H      -3.370427     -3.816256      0.480354
  H      -1.493712     -5.367590      2.338276
  H      -2.175670     -5.907421      0.785050
  C      -3.733759     -1.915648      2.383140
  C      -2.738455     -0.919735      2.365177
  C      -3.076115      0.431641      2.311238
  C      -4.418381      0.780179      2.263620
  F      -4.743596      2.099796      2.224749
  C      -5.441569     -0.176417      2.255526
  C      -6.872973      0.161303      2.252409
  O      -7.775379     -0.665757      2.199343
  C      -7.330961      1.634591      2.337854
  O      -7.838839      2.217539      1.412580
  C      -7.205529      2.220527      3.767314
  O      -6.799973      1.576142      4.691302
  Cl     -7.701128      3.913989      3.888409
  C      -5.071750     -1.529339      2.305225
  C      -7.110169     -4.859760      4.125147
  C      -8.295015     -5.613706      4.212841
  C      -9.342692     -5.145117      5.026096
  C      -9.230433     -3.964747      5.751649
  F     -10.252107     -3.584013      6.547531
  C      -8.050884     -3.194550      5.682104
  C      -7.767679     -1.918176      6.365337
  O      -8.551042     -1.188399      6.901892
  C      -6.149272     -1.429315      6.188542
  O      -3.843115     -3.218187      6.625112
  C      -5.922215     -0.350598      7.209916
  O      -6.676174      0.456544      7.646487
  Cl     -4.166147     -0.312525      7.854995
  C      -7.068869     -3.674474      4.844949
  C      -3.462466     -5.975186      6.525025
  C      -2.413881     -6.127975      7.454493
  C      -2.660961     -6.060140      8.823928
  C      -3.956336     -5.834505      9.271592
  F      -4.166048     -5.709067     10.602710
  C      -5.039362     -5.756751      8.381841
  C      -6.427438     -5.488865      8.775058
  O      -7.396812     -5.610548      8.031084
  C      -6.832895     -4.979382     10.162982
  O      -7.057657     -5.696054     11.106985
  C      -7.081016     -3.447304     10.161368
  O      -6.624128     -2.721274      9.327994
  Cl     -8.029717     -2.885590     11.548498
  C      -4.767891     -5.861558      7.009832
  H      -1.688274     -1.209683      2.431653
  H      -2.316265      1.213062      2.319332
  H      -5.860868     -2.282811      2.312697
  H      -8.417202     -6.560785      3.686209
  H     -10.261127     -5.724744      5.125865
  H      -6.113869     -3.194950      4.739064
  H      -1.386894     -6.240229      7.103407
  H      -1.853246     -6.144757      9.551207
  H      -5.601185     -5.780006      6.310156
  N      -4.288217     -3.039165      5.478823
  N      -4.983705     -1.664416      5.288455
  H      -4.310593     -0.948069      5.635033
  H      -6.732265     -0.928520      5.351213
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.515144047136
  N      -3.409516     -3.284765      2.522286
  C      -2.735426     -3.891618      1.376129
  C      -2.393365     -5.336299      1.699891
  N      -3.484277     -5.974984      2.479392
  C      -4.694973     -6.257378      1.665462
  C      -5.915639     -6.319980      2.570946
  N      -5.906967     -5.180006      3.480653
  Mo     -4.096342     -4.436008      3.998263
  N      -3.250161     -5.842662      5.142815
  C      -2.326986     -6.772500      4.488687
  C      -2.984850     -7.189465      3.180664
  H      -2.159605     -7.663618      5.114210
  H      -1.336829     -6.316260      4.310406
  H      -3.853360     -7.819903      3.412734
  H      -2.306736     -7.759639      2.523030
  H      -6.820490     -6.306238      1.938127
  H      -5.940377     -7.273999      3.133581
  H      -4.813791     -5.434570      0.948048
  H      -4.569253     -7.195363      1.097144
  H      -1.802040     -3.355764      1.126117
  H      -3.379906     -3.820581      0.478233
  H      -1.494482     -5.366046      2.332564
  H      -2.179397     -5.912230      0.782339
  C      -3.727521     -1.914589      2.378643
  C      -2.729068     -0.921401      2.361511
  C      -3.062217      0.430942      2.305141
  C      -4.403706      0.783616      2.255368
  F      -4.725078      2.103944      2.215737
  C      -5.429537     -0.170168      2.247223
  C      -6.859898      0.172197      2.248183
  O      -7.765104     -0.652697      2.203400
  C      -7.313153      1.646801      2.330059
  O      -7.814228      2.231977      1.402042
  C      -7.190988      2.234589      3.759966
  O      -6.788049      1.591447      4.685792
  Cl     -7.687614      3.926603      3.878084
  C      -5.063781     -1.524209      2.297908
  C      -7.114669     -4.867412      4.128050
  C      -8.296589     -5.625267      4.217490
  C      -9.345939     -5.158493      5.030013
  C      -9.237073     -3.976548      5.754440
  F     -10.259033     -3.599367      6.551222
  C      -8.060320     -3.202440      5.681680
  C      -7.774912     -1.929439      6.369690
  O      -8.559881     -1.209624      6.918699
  C      -6.165223     -1.423803      6.188045
  O      -3.851314     -3.204728      6.626341
  C      -5.934898     -0.350607      7.216349
  O      -6.692576      0.453150      7.653289
  Cl     -4.179056     -0.307471      7.857146
  C      -7.079252     -3.679860      4.842515
  C      -3.462593     -5.967131      6.523600
  C      -2.412526     -6.118122      7.451948
  C      -2.658522     -6.054678      8.821911
  C      -3.954298     -5.834494      9.271062
  F      -4.163350     -5.714230     10.602747
  C      -5.038207     -5.756613      8.382350
  C      -6.426508     -5.491571      8.777314
  O      -7.396147     -5.611081      8.033822
  C      -6.831698     -4.990248     10.168262
  O      -7.054553     -5.713246     11.107908
  C      -7.082956     -3.458769     10.176381
  O      -6.635789     -2.727867      9.342101
  Cl     -8.013133     -2.904885     11.578679
  C      -4.767528     -5.856972      7.009844
  H      -1.679997     -1.214687      2.430940
  H      -2.299858      1.209897      2.313783
  H      -5.855744     -2.274738      2.306274
  H      -8.414860     -6.574643      3.694064
  H     -10.262253     -5.741122      5.131530
  H      -6.131854     -3.186262      4.737740
  H      -1.385714     -6.226905      7.099351
  H      -1.850395     -6.138758      9.548770
  H      -5.602041     -5.775751      6.311533
  N      -4.302648     -3.037728      5.481206
  N      -5.000516     -1.668632      5.287185
  H      -4.331499     -0.945025      5.621174
  H      -6.744590     -0.906354      5.358827
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.518357292266
  N      -3.407694     -3.283889      2.523593
  C      -2.740293     -3.892594      1.373419
  C      -2.396631     -5.336912      1.696474
  N      -3.485746     -5.974806      2.479714
  C      -4.697322     -6.260388      1.667524
  C      -5.916687     -6.327105      2.575010
  N      -5.910711     -5.185896      3.484057
  Mo     -4.103303     -4.433781      3.998926
  N      -3.248601     -5.837499      5.143050
  C      -2.325418     -6.767918      4.489019
  C      -2.984566     -7.188210      3.182212
  H      -2.156376     -7.657405      5.116420
  H      -1.336456     -6.310279      4.308225
  H      -3.852005     -7.819318      3.416011
  H      -2.305970     -7.758101      2.524687
  H      -6.822534     -6.317333      1.943668
  H      -5.936668     -7.280700      3.138577
  H      -4.820116     -5.436649      0.951771
  H      -4.569465     -7.197188      1.097745
  H      -1.808978     -3.356002      1.117803
  H      -3.390268     -3.822801      0.479373
  H      -1.496662     -5.364663      2.327655
  H      -2.184818     -5.914284      0.779422
  C      -3.722698     -1.912381      2.378408
  C      -2.721030     -0.922080      2.362979
  C      -3.049516      0.431351      2.305723
  C      -4.389774      0.788599      2.253824
  F      -4.706660      2.109963      2.214698
  C      -5.418595     -0.162108      2.243956
  C      -6.847377      0.185860      2.245995
  O      -7.756138     -0.635388      2.206453
  C      -7.295050      1.661423      2.322105
  O      -7.787538      2.247047      1.390790
  C      -7.181781      2.251128      3.752278
  O      -6.783748      1.608511      4.680832
  Cl     -7.677928      3.942923      3.864728
  C      -5.057547     -1.517905      2.295009
  C      -7.119506     -4.875622      4.130559
  C      -8.299179     -5.636692      4.220758
  C      -9.350514     -5.171381      5.031724
  C      -9.245774     -3.987473      5.754278
  F     -10.268716     -3.612904      6.550533
  C      -8.071599     -3.209454      5.678331
  C      -7.783427     -1.937811      6.367423
  O      -8.569971     -1.226815      6.926919
  C      -6.183822     -1.416248      6.179026
  O      -3.855490     -3.196583      6.625125
  C      -5.946914     -0.350993      7.216450
  O      -6.703920      0.451103      7.657301
  Cl     -4.191707     -0.310349      7.846995
  C      -7.089910     -3.684926      4.839327
  C      -3.460898     -5.963053      6.524156
  C      -2.408998     -6.112808      7.450380
  C      -2.653229     -6.052664      8.820758
  C      -3.949047     -5.836505      9.271947
  F      -4.156879     -5.719406     10.604221
  C      -5.034369     -5.758986      8.385041
  C      -6.422059     -5.494858      8.782511
  O      -7.393041     -5.611345      8.039755
  C      -6.825920     -4.999130     10.175941
  O      -7.045984     -5.725921     11.113387
  C      -7.079290     -3.467939     10.189505
  O      -6.646582     -2.735885      9.348197
  Cl     -7.996564     -2.917484     11.601230
  C      -4.765570     -5.856263      7.011968
  H      -1.673135     -1.218821      2.435109
  H      -2.284581      1.207764      2.315894
  H      -5.852350     -2.265338      2.302905
  H      -8.413874     -6.588352      3.700703
  H     -10.264769     -5.757089      5.134011
  H      -6.149726     -3.178843      4.736215
  H      -1.382574     -6.218079      7.095567
  H      -1.844284     -6.135989      9.546803
  H      -5.601516     -5.774669      6.315388
  N      -4.314513     -3.039553      5.481109
  N      -5.020452     -1.672175      5.279324
  H      -4.353218     -0.941833      5.598230
  H      -6.758682     -0.885201      5.358909
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.521523502312
  N      -3.405463     -3.283704      2.523116
  C      -2.744566     -3.894688      1.369312
  C      -2.399884     -5.338685      1.692121
  N      -3.487550     -5.975667      2.478583
  C      -4.699561     -6.264821      1.667977
  C      -5.917848     -6.334664      2.577104
  N      -5.913965     -5.191747      3.485486
  Mo     -4.110485     -4.431025      3.997493
  N      -3.246219     -5.831819      5.142864
  C      -2.323621     -6.762674      4.488754
  C      -2.984644     -7.186942      3.183659
  H      -2.152834     -7.650984      5.117357
  H      -1.335624     -6.304338      4.304530
  H      -3.850965     -7.818624      3.419772
  H      -2.305196     -7.757159      2.527253
  H      -6.824744     -6.328351      1.947464
  H      -5.933557     -7.287263      3.142251
  H      -4.825975     -5.440587      0.953340
  H      -4.569828     -7.200730      1.097203
  H      -1.814961     -3.357856      1.108483
  H      -3.399711     -3.825910      0.478998
  H      -1.499134     -5.364719      2.322250
  H      -2.189940     -5.917401      0.775584
  C      -3.717173     -1.910978      2.376171
  C      -2.712468     -0.923733      2.362803
  C      -3.036494      0.430739      2.305033
  C      -4.375427      0.792398      2.251262
  F      -4.688087      2.114589      2.212846
  C      -5.407146     -0.155440      2.239716
  C      -6.834137      0.198264      2.243854
  O      -7.746661     -0.619444      2.207818
  C      -7.277951      1.674125      2.315886
  O      -7.761150      2.261432      1.380884
  C      -7.173810      2.265672      3.746800
  O      -6.780680      1.624284      4.678509
  Cl     -7.672286      3.956647      3.853420
  C      -5.050802     -1.512772      2.290389
  C      -7.123597     -4.884121      4.131268
  C      -8.301131     -5.648200      4.222931
  C      -9.353697     -5.184437      5.033232
  C      -9.252514     -3.999059      5.754438
  F     -10.275782     -3.627747      6.551203
  C      -8.081095     -3.217120      5.674760
  C      -7.790595     -1.947183      6.366145
  O      -8.579548     -1.245730      6.936525
  C      -6.202596     -1.408142      6.176500
  O      -3.862119     -3.186483      6.622112
  C      -5.960424     -0.350014      7.221997
  O      -6.717832      0.449735      7.666213
  Cl     -4.205891     -0.310479      7.845543
  C      -7.099335     -3.690328      4.834835
  C      -3.458517     -5.956525      6.524176
  C      -2.406500     -6.105576      7.450135
  C      -2.650328     -6.048659      8.820757
  C      -3.946273     -5.835898      9.272461
  F      -4.154711     -5.722317     10.605125
  C      -5.031953     -5.757845      8.385899
  C      -6.419163     -5.495666      8.785292
  O      -7.390830     -5.608393      8.042429
  C      -6.823657     -5.007822     10.181337
  O      -7.046442     -5.739637     11.114205
  C      -7.076105     -3.476515     10.203134
  O      -6.643857     -2.740850      9.364748
  Cl     -7.973165     -2.930269     11.629015
  C      -4.763551     -5.852023      7.012492
  H      -1.665733     -1.223923      2.437378
  H      -2.269079      1.204701      2.316838
  H      -5.848332     -2.257214      2.297442
  H      -8.412881     -6.602012      3.706234
  H     -10.265700     -5.773445      5.136611
  H      -6.167709     -3.169903      4.732552
  H      -1.380097     -6.208297      7.094493
  H      -1.841069     -6.131879      9.546467
  H      -5.600403     -5.770596      6.316975
  N      -4.328103     -3.038212      5.479918
  N      -5.040330     -1.676323      5.274789
  H      -4.373243     -0.941573      5.578210
  H      -6.770786     -0.862794      5.362884
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.524630029733
  N      -3.404692     -3.283252      2.524589
  C      -2.750771     -3.896208      1.366805
  C      -2.404676     -5.340072      1.688115
  N      -3.489980     -5.977564      2.477590
  C      -4.702826     -6.269976      1.669617
  C      -5.919479     -6.342596      2.580944
  N      -5.917199     -5.197945      3.488751
  Mo     -4.116814     -4.428947      3.997828
  N      -3.242438     -5.827040      5.143486
  C      -2.320768     -6.757937      4.488121
  C      -2.984210     -7.186130      3.185044
  H      -2.147621     -7.645319      5.117390
  H      -1.333846     -6.298830      4.299964
  H      -3.848993     -7.818690      3.424342
  H      -2.304099     -7.756675      2.529550
  H      -6.827619     -6.339120      1.953279
  H      -5.931266     -7.294127      3.147675
  H      -4.833005     -5.445386      0.955975
  H      -4.572279     -7.205209      1.097903
  H      -1.822728     -3.359378      1.100765
  H      -3.411321     -3.827712      0.480523
  H      -1.502609     -5.365059      2.316370
  H      -2.196877     -5.918723      0.771080
  C      -3.712659     -1.909297      2.375839
  C      -2.704801     -0.925471      2.364413
  C      -3.024094      0.430186      2.306386
  C      -4.361453      0.796493      2.250686
  F      -4.669654      2.119660      2.213524
  C      -5.396333     -0.148068      2.236944
  C      -6.821386      0.211537      2.241534
  O      -7.737942     -0.602302      2.210838
  C      -7.261362      1.688027      2.309597
  O      -7.736985      2.275692      1.370774
  C      -7.165288      2.281249      3.740495
  O      -6.774202      1.641878      4.674478
  Cl     -7.663986      3.972728      3.841607
  C      -5.045093     -1.506927      2.287721
  C      -7.127409     -4.892603      4.133824
  C      -8.303075     -5.659251      4.227284
  C      -9.356443     -5.196488      5.037220
  C      -9.258651     -4.009596      5.756306
  F     -10.282185     -3.640877      6.553597
  C      -8.090036     -3.223761      5.672247
  C      -7.797616     -1.954276      6.363767
  O      -8.589026     -1.261869      6.944041
  C      -6.222026     -1.397141      6.171406
  O      -3.865893     -3.177585      6.618420
  C      -5.973486     -0.347134      7.225657
  O      -6.730660      0.450469      7.674420
  Cl     -4.219773     -0.309324      7.839950
  C      -7.108132     -3.695255      4.831928
  C      -3.453629     -5.951891      6.524950
  C      -2.401267     -6.100924      7.450302
  C      -2.644719     -6.046860      8.821177
  C      -3.940811     -5.836774      9.273436
  F      -4.149724     -5.726149     10.606436
  C      -5.026838     -5.758241      8.387157
  C      -6.413740     -5.497784      8.787513
  O      -7.385411     -5.606969      8.043812
  C      -6.819726     -5.017227     10.185513
  O      -7.042643     -5.752922     11.115212
  C      -7.071932     -3.485750     10.213297
  O      -6.654430     -2.748922      9.368247
  Cl     -7.968921     -2.944429     11.640999
  C      -4.758884     -5.849651      7.013603
  H      -1.659286     -1.229326      2.441197
  H      -2.254066      1.201545      2.319993
  H      -5.845401     -2.248285      2.293642
  H      -8.412360     -6.615190      3.714057
  H     -10.266329     -5.788535      5.142055
  H      -6.184941     -3.161193      4.730068
  H      -1.374896     -6.201289      7.093863
  H      -1.834967     -6.130228      9.546324
  H      -5.596382     -5.768080      6.318892
  N      -4.340046     -3.037164      5.478581
  N      -5.061642     -1.679102      5.267778
  H      -4.392628     -0.941136      5.553319
  H      -6.783834     -0.839669      5.364012
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.527655945914
  N      -3.404168     -3.282490      2.527495
  C      -2.756113     -3.896612      1.365952
  C      -2.408565     -5.340572      1.685149
  N      -3.492033     -5.979228      2.476448
  C      -4.705103     -6.274565      1.669942
  C      -5.920858     -6.350421      2.582482
  N      -5.920858     -5.204654      3.490267
  Mo     -4.123873     -4.427756      3.998455
  N      -3.240690     -5.823460      5.144079
  C      -2.319229     -6.754153      4.487829
  C      -2.983809     -7.185580      3.185886
  H      -2.144093     -7.640683      5.117750
  H      -1.333295     -6.294028      4.296957
  H      -3.847215     -7.819154      3.427360
  H      -2.302712     -7.756154      2.531343
  H      -6.829678     -6.349431      1.955943
  H      -5.929372     -7.301293      3.150165
  H      -4.838406     -5.449528      0.957309
  H      -4.573266     -7.209025      1.097208
  H      -1.829454     -3.359558      1.095828
  H      -3.421189     -3.827826      0.483131
  H      -1.505506     -5.364936      2.311947
  H      -2.202194     -5.918454      0.767325
  C      -3.707860     -1.907205      2.377635
  C      -2.696618     -0.926915      2.369590
  C      -3.010756      0.430033      2.311564
  C      -4.346417      0.801253      2.252572
  F      -4.649859      2.125559      2.216610
  C      -5.384646     -0.139689      2.235165
  C      -6.807815      0.225664      2.238045
  O      -7.728357     -0.583969      2.209888
  C      -7.243167      1.703321      2.300539
  O      -7.709472      2.291125      1.357217
  C      -7.158243      2.297511      3.731780
  O      -6.775750      1.658027      4.669222
  Cl     -7.666651      3.986499      3.829413
  C      -5.038797     -1.500140      2.286009
  C      -7.131999     -4.901727      4.134336
  C      -8.305546     -5.671270      4.229161
  C      -9.360075     -5.209964      5.038634
  C      -9.266016     -4.021808      5.755855
  F     -10.290023     -3.656028      6.553719
  C      -8.100333     -3.231739      5.667996
  C      -7.806946     -1.962442      6.359677
  O      -8.601449     -1.279623      6.948920
  C      -6.243639     -1.386007      6.164148
  O      -3.872254     -3.170346      6.614876
  C      -5.988970     -0.344141      7.226772
  O      -6.746001      0.451246      7.680146
  Cl     -4.236138     -0.307773      7.831140
  C      -7.118176     -3.701120      4.827476
  C      -3.450970     -5.949441      6.525604
  C      -2.398006     -6.099119      7.450149
  C      -2.640420     -6.047634      8.821283
  C      -3.936228     -5.839044      9.274825
  F      -4.144574     -5.730673     10.608191
  C      -5.022895     -5.759365      8.389467
  C      -6.409024     -5.498896      8.791811
  O      -7.381406     -5.604197      8.048168
  C      -6.814425     -5.022957     10.191488
  O      -7.040561     -5.761496     11.118105
  C      -7.063710     -3.491039     10.223776
  O      -6.642412     -2.752665      9.382001
  Cl     -7.936916     -2.949273     11.665947
  C      -4.756153     -5.848641      7.015450
  H      -1.652484     -1.234725      2.449303
  H      -2.237959      1.198572      2.328026
  H      -5.842031     -2.238251      2.289458
  H      -8.411886     -6.629204      3.719089
  H     -10.267782     -5.805157      5.144722
  H      -6.203461     -3.153510      4.726405
  H      -1.371818     -6.197781      7.092666
  H      -1.829900     -6.131632      9.545503
  H      -5.594509     -5.766167      6.321891
  N      -4.353930     -3.037512      5.477297
  N      -5.085424     -1.682563      5.259912
  H      -4.413690     -0.942281      5.527272
  H      -6.798997     -0.817465      5.363880
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.530591302257
  N      -3.404201     -3.282423      2.528427
  C      -2.763341     -3.897760      1.362798
  C      -2.413806     -5.341382      1.680354
  N      -3.494463     -5.980573      2.475149
  C      -4.707935     -6.280657      1.670988
  C      -5.922278     -6.359459      2.585342
  N      -5.924585     -5.212143      3.492020
  Mo     -4.131394     -4.426420      3.997784
  N      -3.238819     -5.818630      5.143275
  C      -2.316997     -6.748710      4.486623
  C      -2.982627     -7.184269      3.186459
  H      -2.138965     -7.633799      5.117736
  H      -1.332477     -6.286822      4.292693
  H      -3.844083     -7.819570      3.430270
  H      -2.300524     -7.754381      2.532528
  H      -6.832154     -6.361993      1.960489
  H      -5.926756     -7.309243      3.154718
  H      -4.845219     -5.456381      0.958167
  H      -4.574118     -7.214989      1.098501
  H      -1.838456     -3.360420      1.087435
  H      -3.433806     -3.828937      0.484111
  H      -1.508993     -5.364701      2.304608
  H      -2.209931     -5.919149      0.761944
  C      -3.702907     -1.905786      2.377829
  C      -2.687730     -0.929609      2.372213
  C      -2.996045      0.428755      2.314382
  C      -4.329982      0.805576      2.253609
  F      -4.628104      2.131032      2.218802
  C      -5.372009     -0.131226      2.234024
  C      -6.793176      0.240609      2.237907
  O      -7.717804     -0.564563      2.210027
  C      -7.223422      1.719475      2.295680
  O      -7.677961      2.309002      1.347741
  C      -7.151398      2.313782      3.727768
  O      -6.771626      1.676332      4.667751
  Cl     -7.655102      4.004408      3.819133
  C      -5.032071     -1.493316      2.284069
  C      -7.136466     -4.912029      4.136048
  C      -8.306830     -5.685740      4.233896
  C      -9.361966     -5.226928      5.044225
  C      -9.271325     -4.037589      5.759815
  F     -10.294754     -3.675874      6.560032
  C      -8.109202     -3.242544      5.666629
  C      -7.815208     -1.973939      6.359189
  O      -8.613068     -1.302047      6.958391
  C      -6.264918     -1.375562      6.161210
  O      -3.880878     -3.162126      6.611733
  C      -6.004729     -0.340556      7.230647
  O      -6.763030      0.451324      7.688272
  Cl     -4.252075     -0.302610      7.825687
  C      -7.128253     -3.708745      4.824118
  C      -3.447985     -5.944836      6.524817
  C      -2.394311     -6.094108      7.448575
  C      -2.635875     -6.044790      8.820004
  C      -3.931637     -5.838173      9.274495
  F      -4.139735     -5.731909     10.608141
  C      -5.018853     -5.758069      8.389725
  C      -6.404701     -5.498855      8.793267
  O      -7.377449     -5.601789      8.049581
  C      -6.810218     -5.026920     10.194170
  O      -7.039199     -5.767882     11.118131
  C      -7.056492     -3.494414     10.230672
  O      -6.641458     -2.755328      9.386272
  Cl     -7.929752     -2.954952     11.673604
  C      -4.752978     -5.845626      7.015567
  H      -1.645073     -1.241935      2.453728
  H      -2.220042      1.194015      2.332759
  H      -5.838604     -2.227767      2.285927
  H      -8.409725     -6.645840      3.727225
  H     -10.266819     -5.825984      5.152954
  H      -6.223429     -3.145993      4.722771
  H      -1.368276     -6.190953      7.090147
  H      -1.824689     -6.128783      9.543470
  H      -5.592167     -5.763333      6.322975
  N      -4.369902     -3.037150      5.476353
  N      -5.108997     -1.687165      5.255110
  H      -4.434699     -0.946038      5.504644
  H      -6.814186     -0.795467      5.367716
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.533410076584
  N      -3.404949     -3.281298      2.531080
  C      -2.770427     -3.897548      1.361334
  C      -2.418666     -5.341192      1.676749
  N      -3.497159     -5.981765      2.473737
  C      -4.710823     -6.285535      1.670996
  C      -5.924097     -6.367775      2.586854
  N      -5.928711     -5.219472      3.493370
  Mo     -4.139111     -4.425517      3.997961
  N      -3.237547     -5.814356      5.143177
  C      -2.315261     -6.743896      4.485616
  C      -2.982182     -7.183190      3.186930
  H      -2.134304     -7.627741      5.117608
  H      -1.332126     -6.280271      4.288736
  H      -3.842027     -7.819705      3.433239
  H      -2.299467     -7.753285      2.533589
  H      -6.834809     -6.373236      1.963331
  H      -5.924865     -7.316950      3.157116
  H      -4.851544     -5.461340      0.958678
  H      -4.575221     -7.219304      1.097977
  H      -1.847291     -3.359723      1.081264
  H      -3.445829     -3.828587      0.486473
  H      -1.512554     -5.363660      2.299107
  H      -2.216298     -5.918182      0.757535
  C      -3.698628     -1.903207      2.379873
  C      -2.679635     -0.931000      2.377889
  C      -2.982023      0.428722      2.319435
  C      -4.314084      0.811089      2.254313
  F      -4.606714      2.137757      2.219912
  C      -5.359882     -0.121508      2.230956
  C      -6.779170      0.256562      2.231565
  O      -7.707818     -0.544383      2.210041
  C      -7.204063      1.736975      2.285383
  O      -7.646813      2.328628      1.333065
  C      -7.138673      2.332468      3.717403
  O      -6.765757      1.694892      4.659905
  Cl     -7.648241      4.021533      3.806085
  C      -5.025867     -1.485206      2.282006
  C      -7.140760     -4.922244      4.138123
  C      -8.307944     -5.700101      4.239634
  C      -9.363239     -5.244074      5.051566
  C      -9.275903     -4.053676      5.765580
  F     -10.298355     -3.696325      6.568855
  C      -8.117761     -3.253265      5.666465
  C      -7.823437     -1.984892      6.359757
  O      -8.623732     -1.324131      6.969819
  C      -6.286436     -1.364602      6.155206
  O      -3.888202     -3.154806      6.607876
  C      -6.020543     -0.337592      7.232343
  O      -6.780092      0.450269      7.695352
  Cl     -4.267752     -0.297680      7.816102
  C      -7.137877     -3.716077      4.821254
  C      -3.445448     -5.941607      6.524967
  C      -2.391050     -6.090822      7.447947
  C      -2.631804     -6.043777      8.819652
  C      -3.927488     -5.839113      9.275213
  F      -4.135226     -5.735146     10.609161
  C      -5.015222     -5.758751      8.391145
  C      -6.400911     -5.501175      8.795878
  O      -7.373998     -5.603513      8.052524
  C      -6.806468     -5.032174     10.197651
  O      -7.035537     -5.774690     11.120298
  C      -7.051205     -3.499354     10.236605
  O      -6.639410     -2.759901      9.390850
  Cl     -7.913203     -2.959940     11.686293
  C      -4.750263     -5.844395      7.016761
  H      -1.638571     -1.247764      2.462668
  H      -2.202873      1.190699      2.340790
  H      -5.835619     -2.216043      2.280999
  H      -8.407632     -6.662222      3.736194
  H     -10.265073     -5.847100      5.163427
  H      -6.242726     -3.138602      4.718951
  H      -1.365130     -6.185801      7.088698
  H      -1.819971     -6.127922      9.542376
  H      -5.590240     -5.762183      6.325102
  N      -4.385167     -3.037564      5.475183
  N      -5.133906     -1.691308      5.248552
  H      -4.455481     -0.949380      5.479607
  H      -6.830932     -0.774400      5.370338
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.536102498926
  N      -3.405233     -3.280860      2.532841
  C      -2.778137     -3.898340      1.358919
  C      -2.424230     -5.341754      1.672523
  N      -3.500182     -5.983256      2.472252
  C      -4.713719     -6.291608      1.671131
  C      -5.925995     -6.376599      2.588134
  N      -5.932951     -5.226901      3.493513
  Mo     -4.147175     -4.424751      3.996969
  N      -3.237175     -5.809693      5.142475
  C      -2.314299     -6.738632      4.484589
  C      -2.981928     -7.182012      3.187539
  H      -2.130404     -7.620943      5.117844
  H      -1.332591     -6.273149      4.284932
  H      -3.840029     -7.819973      3.436163
  H      -2.298394     -7.751999      2.534924
  H      -6.837416     -6.385390      1.965785
  H      -5.923276     -7.324790      3.159895
  H      -4.857775     -5.468312      0.958383
  H      -4.575986     -7.225362      1.098582
  H      -1.856791     -3.360361      1.073467
  H      -3.458936     -3.829233      0.488303
  H      -1.516512     -5.363355      2.292503
  H      -2.223900     -5.918239      0.752562
  C      -3.692679     -1.901222      2.381498
  C      -2.669023     -0.933966      2.383166
  C      -2.964430      0.427364      2.325084
  C      -4.294350      0.816337      2.257305
  F      -4.580558      2.144445      2.224758
  C      -5.344649     -0.111147      2.230784
  C      -6.761696      0.274039      2.231599
  O      -7.694928     -0.521527      2.208273
  C      -7.179579      1.756334      2.278455
  O      -7.612551      2.348007      1.321864
  C      -7.135949      2.349157      3.712668
  O      -6.767148      1.712820      4.657758
  Cl     -7.653309      4.035953      3.797712
  C      -5.017623     -1.476664      2.280756
  C      -7.145317     -4.932717      4.138853
  C      -8.308622     -5.715550      4.244804
  C      -9.364031     -5.262957      5.058790
  C      -9.280279     -4.071475      5.771088
  F     -10.301402     -3.719144      6.578158
  C      -8.126684     -3.264903      5.665231
  C      -7.832384     -1.996789      6.359325
  O      -8.634702     -1.347838      6.980937
  C      -6.309051     -1.353939      6.147533
  O      -3.898265     -3.146546      6.603341
  C      -6.037861     -0.334521      7.231783
  O      -6.798658      0.449145      7.700097
  Cl     -4.284706     -0.292038      7.804581
  C      -7.148258     -3.723609      4.816559
  C      -3.443695     -5.937443      6.524265
  C      -2.388400     -6.086619      7.446273
  C      -2.627899     -6.041929      8.818268
  C      -3.923313     -5.839067      9.275345
  F      -4.130204     -5.737373     10.609631
  C      -5.011779     -5.757975      8.392250
  C      -6.397062     -5.501760      8.798845
  O      -7.370834     -5.601879      8.055895
  C      -6.801743     -5.034679     10.201454
  O      -7.035720     -5.778506     11.121793
  C      -7.041033     -3.501003     10.243182
  O      -6.628184     -2.761691      9.397775
  Cl     -7.897731     -2.960718     11.695698
  C      -4.748163     -5.841694      7.017518
  H      -1.629820     -1.256131      2.470480
  H      -2.181546      1.185406      2.349395
  H      -5.831139     -2.203236      2.277406
  H      -8.404546     -6.679848      3.744816
  H     -10.262340     -5.870517      5.174434
  H      -6.263705     -3.130686      4.712536
  H      -1.362702     -6.180147      7.085990
  H      -1.815195     -6.126462      9.539969
  H      -5.589124     -5.759544      6.327031
  N      -4.402355     -3.037685      5.473041
  N      -5.159395     -1.696064      5.241108
  H      -4.476774     -0.954288      5.454258
  H      -6.849091     -0.753350      5.370404
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.538648319085
  N      -3.407519     -3.279330      2.535255
  C      -2.787225     -3.897554      1.357093
  C      -2.430181     -5.340749      1.668601
  N      -3.503382     -5.984115      2.470810
  C      -4.716801     -6.297338      1.671169
  C      -5.927969     -6.385916      2.589558
  N      -5.937826     -5.235059      3.494180
  Mo     -4.155940     -4.423983      3.996617
  N      -3.236864     -5.804329      5.141979
  C      -2.312722     -6.732230      4.483484
  C      -2.981175     -7.180098      3.188131
  H      -2.125156     -7.612873      5.117927
  H      -1.332809     -6.264204      4.280963
  H      -3.837272     -7.819736      3.439354
  H      -2.296856     -7.749830      2.536104
  H      -6.840168     -6.398343      1.968474
  H      -5.921140     -7.333319      3.162474
  H      -4.864646     -5.474770      0.958304
  H      -4.576574     -7.230821      1.098764
  H      -1.868073     -3.358738      1.066355
  H      -3.473382     -3.828714      0.490708
  H      -1.520910     -5.361043      2.286292
  H      -2.231351     -5.916388      0.747805
  C      -3.689232     -1.898163      2.383928
  C      -2.661316     -0.935441      2.389658
  C      -2.950127      0.427335      2.331421
  C      -4.277966      0.822503      2.259444
  F      -4.558037      2.151889      2.227341
  C      -5.332409     -0.100221      2.228896
  C      -6.747374      0.291872      2.226553
  O      -7.684890     -0.498873      2.206856
  C      -7.159192      1.775894      2.268854
  O      -7.568920      2.372858      1.305148
  C      -7.119165      2.372144      3.701748
  O      -6.760199      1.735707      4.650435
  Cl     -7.626316      4.062457      3.779844
  C      -5.011901     -1.467399      2.279178
  C      -7.150064     -4.944458      4.141076
  C      -8.308879     -5.733041      4.252588
  C      -9.363878     -5.284616      5.069560
  C      -9.283853     -4.091916      5.780044
  F     -10.303017     -3.745248      6.591903
  C      -8.135731     -3.278463      5.666168
  C      -7.841836     -2.010268      6.360817
  O      -8.645400     -1.373798      6.995225
  C      -6.332996     -1.344127      6.138636
  O      -3.907895     -3.138488      6.598030
  C      -6.056443     -0.332714      7.230532
  O      -6.819340      0.445449      7.705092
  Cl     -4.302682     -0.285682      7.791251
  C      -7.159040     -3.732316      4.813111
  C      -3.441625     -5.933117      6.524107
  C      -2.385150     -6.081381      7.444944
  C      -2.623404     -6.038914      8.817291
  C      -3.918722     -5.838837      9.275840
  F      -4.124800     -5.739512     10.610489
  C      -5.008064     -5.758319      8.393823
  C      -6.393416     -5.505045      8.801944
  O      -7.367705     -5.606794      8.059996
  C      -6.797536     -5.040425     10.205499
  O      -7.031208     -5.785584     11.124794
  C      -7.035660     -3.506494     10.249478
  O      -6.627481     -2.766863      9.401993
  Cl     -7.885593     -2.966859     11.706190
  C      -4.745743     -5.840060      7.018813
  H      -1.623918     -1.262548      2.480124
  H      -2.163775      1.181664      2.358947
  H      -5.828857     -2.190011      2.272573
  H      -8.400770     -6.699568      3.756170
  H     -10.258104     -5.897268      5.189923
  H      -6.285445     -3.123834      4.706266
  H      -1.359637     -6.172574      7.083560
  H      -1.809781     -6.123004      9.538005
  H      -5.587721     -5.758729      6.329447
  N      -4.419896     -3.038292      5.470615
  N      -5.187033     -1.700813      5.233062
  H      -4.499999     -0.959167      5.427792
  H      -6.870140     -0.734395      5.370625
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.541035370335
  N      -3.408200     -3.278496      2.537335
  C      -2.795682     -3.898039      1.354953
  C      -2.436292     -5.340989      1.664688
  N      -3.507113     -5.985495      2.469218
  C      -4.720045     -6.303490      1.670739
  C      -5.930461     -6.394640      2.589929
  N      -5.942742     -5.242280      3.493062
  Mo     -4.164708     -4.423501      3.995088
  N      -3.237894     -5.799168      5.141329
  C      -2.312805     -6.726422      4.482672
  C      -2.981718     -7.178647      3.188970
  H      -2.122098     -7.605338      5.118530
  H      -1.334427     -6.256305      4.277509
  H      -3.836162     -7.819565      3.442588
  H      -2.296689     -7.748541      2.537809
  H      -6.843191     -6.410547      1.969770
  H      -5.920311     -7.340987      3.164446
  H      -4.870931     -5.482056      0.957153
  H      -4.577407     -7.237089      1.099102
  H      -1.878462     -3.359127      1.058482
  H      -3.487392     -3.829179      0.493028
  H      -1.525548     -5.360329      2.280179
  H      -2.239110     -5.916014      0.743159
  C      -3.682467     -1.895608      2.386212
  C      -2.649178     -0.938720      2.396523
  C      -2.929792      0.425811      2.338268
  C      -4.255005      0.828688      2.261967
  F      -4.527366      2.159703      2.231525
  C      -5.314642     -0.087959      2.226937
  C      -6.727150      0.312136      2.221925
  O      -7.669636     -0.472816      2.207156
  C      -7.130809      1.798299      2.259724
  O      -7.535120      2.395316      1.293914
  C      -7.115539      2.388223      3.695908
  O      -6.760129      1.751376      4.645717
  Cl     -7.643427      4.072031      3.775707
  C      -5.002264     -1.457127      2.277255
  C      -7.154719     -4.954845      4.141483
  C      -8.308800     -5.749298      4.259251
  C      -9.363187     -5.305211      5.079540
  C      -9.286668     -4.111413      5.788126
  F     -10.303402     -3.770592      6.605422
  C      -8.144245     -3.290842      5.665720
  C      -7.850570     -2.022954      6.361553
  O      -8.654198     -1.399523      7.010004
  C      -6.356172     -1.334156      6.127684
  O      -3.917813     -3.129693      6.591940
  C      -6.074115     -0.330482      7.226826
  O      -6.838250      0.442648      7.707849
  Cl     -4.319392     -0.279574      7.775568
  C      -7.169621     -3.739477      4.807480
  C      -3.441065     -5.928356      6.523519
  C      -2.383542     -6.076465      7.443261
  C      -2.620421     -6.036320      8.815917
  C      -3.915459     -5.838248      9.276114
  F      -4.120591     -5.741417     10.611122
  C      -5.005600     -5.757267      8.395181
  C      -6.390715     -5.506330      8.805295
  O      -7.365753     -5.607553      8.064187
  C      -6.793733     -5.043414     10.209705
  O      -7.029182     -5.789586     11.127708
  C      -7.026287     -3.508658     10.256526
  O      -6.618612     -2.769388      9.408429
  Cl     -7.866960     -2.967682     11.718133
  C      -4.744746     -5.836942      7.019819
  H      -1.614074     -1.272074      2.490503
  H      -2.139166      1.175499      2.369604
  H      -5.823454     -2.174819      2.267261
  H      -8.396577     -6.718104      3.766539
  H     -10.253111     -5.923067      5.205078
  H      -6.307453     -3.115246      4.697052
  H      -1.358263     -6.166115      7.080828
  H      -1.805875     -6.120704      9.535556
  H      -5.587743     -5.755856      6.331650
  N      -4.437337     -3.038183      5.467320
  N      -5.213597     -1.705327      5.223823
  H      -4.521891     -0.964357      5.400666
  H      -6.890948     -0.715067      5.368328
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.543266420471
  N      -3.411374     -3.277317      2.539113
  C      -2.806504     -3.897621      1.352429
  C      -2.443367     -5.340002      1.660312
  N      -3.510928     -5.986510      2.467611
  C      -4.723290     -6.310473      1.670648
  C      -5.932631     -6.405066      2.590910
  N      -5.948301     -5.251122      3.492283
  Mo     -4.174475     -4.423205      3.993630
  N      -3.239002     -5.793184      5.140335
  C      -2.312018     -6.718949      4.481551
  C      -2.981068     -7.176312      3.189686
  H      -2.117181     -7.595800      5.118948
  H      -1.335719     -6.245697      4.273698
  H      -3.833186     -7.819321      3.445845
  H      -2.294919     -7.745737      2.539278
  H      -6.845977     -6.425385      1.971831
  H      -5.918192     -7.350275      3.167129
  H      -4.878101     -5.490494      0.956182
  H      -4.577513     -7.244187      1.099979
  H      -1.891854     -3.357767      1.049928
  H      -3.504068     -3.829422      0.495217
  H      -1.530854     -5.357625      2.273164
  H      -2.247775     -5.914278      0.737986
  C      -3.678467     -1.892747      2.388983
  C      -2.639879     -0.941676      2.403733
  C      -2.912438      0.424577      2.346784
  C      -4.235118      0.835100      2.267819
  F      -4.500017      2.167654      2.240176
  C      -5.299815     -0.075554      2.228694
  C      -6.709718      0.332730      2.223593
  O      -7.657269     -0.446041      2.205985
  C      -7.105345      1.821013      2.252081
  O      -7.485073      2.420862      1.278051
  C      -7.100339      2.415490      3.686496
  O      -6.755102      1.780434      4.641311
  Cl     -7.619614      4.102474      3.755943
  C      -4.995419     -1.446651      2.277137
  C      -7.159977     -4.967774      4.142683
  C      -8.308218     -5.769431      4.267929
  C      -9.361788     -5.330617      5.092194
  C      -9.289561     -4.135325      5.798382
  F     -10.303383     -3.801173      6.621949
  C      -8.154135     -3.306430      5.666001
  C      -7.861349     -2.038334      6.362348
  O      -8.664422     -1.428532      7.025599
  C      -6.382559     -1.325889      6.114420
  O      -3.929475     -3.120030      6.584445
  C      -6.095432     -0.329519      7.220535
  O      -6.861745      0.437446      7.708289
  Cl     -4.339614     -0.271875      7.756311
  C      -7.181761     -3.748888      4.801932
  C      -3.439963     -5.923070      6.522775
  C      -2.380748     -6.069863      7.440855
  C      -2.615595     -6.031948      8.813932
  C      -3.910299     -5.836993      9.276362
  F      -4.113753     -5.742457     10.611826
  C      -5.001800     -5.756711      8.397124
  C      -6.386809     -5.509068      8.809701
  O      -7.362666     -5.610765      8.069791
  C      -6.788075     -5.048163     10.215300
  O      -7.027298     -5.795822     11.131079
  C      -7.018838     -3.513160     10.264320
  O      -6.613196     -2.773529      9.415534
  Cl     -7.855958     -2.972882     11.728236
  C      -4.743022     -5.834339      7.021275
  H      -1.607002     -1.281214      2.500137
  H      -2.117611      1.169634      2.381788
  H      -5.820713     -2.159490      2.263973
  H      -8.390993     -6.740805      3.779418
  H     -10.246514     -5.954617      5.223943
  H      -6.331768     -3.108656      4.686610
  H      -1.355826     -6.157121      7.076850
  H      -1.799711     -6.115709      9.532127
  H      -5.587396     -5.754246      6.334658
  N      -4.456729     -3.038541      5.462858
  N      -5.243428     -1.710605      5.212899
  H      -4.547779     -0.970003      5.371377
  H      -6.916402     -0.698748      5.363801
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.545320032486
  N      -3.413309     -3.276032      2.541039
  C      -2.816096     -3.897482      1.350338
  C      -2.449989     -5.339421      1.656653
  N      -3.515101     -5.987475      2.465974
  C      -4.726391     -6.317136      1.669714
  C      -5.935240     -6.414515      2.590298
  N      -5.954236     -5.258801      3.489510
  Mo     -4.184636     -4.422870      3.991253
  N      -3.241954     -5.786914      5.139518
  C      -2.313030     -6.711547      4.481139
  C      -2.981679     -7.173981      3.190881
  H      -2.114596     -7.586293      5.120261
  H      -1.338571     -6.235481      4.271036
  H      -3.831902     -7.818637      3.449244
  H      -2.294392     -7.743380      2.541647
  H      -6.848857     -6.439091      1.971806
  H      -5.917197     -7.358443      3.168452
  H      -4.884315     -5.498753      0.954063
  H      -4.577357     -7.251120      1.100318
  H      -1.903713     -3.357191      1.041945
  H      -3.519213     -3.829736      0.497667
  H      -1.536136     -5.355634      2.267490
  H      -2.255535     -5.913080      0.733708
  C      -3.672107     -1.889670      2.391693
  C      -2.627767     -0.945033      2.412267
  C      -2.891398      0.423010      2.355528
  C      -4.211098      0.841911      2.270950
  F      -4.467543      2.176096      2.244441
  C      -5.281262     -0.062089      2.225701
  C      -6.688468      0.354826      2.215409
  O      -7.641161     -0.417812      2.204434
  C      -7.075664      1.845182      2.243161
  O      -7.439855      2.450206      1.266445
  C      -7.093426      2.431666      3.680833
  O      -6.756399      1.793258      4.636334
  Cl     -7.620773      4.116026      3.752616
  C      -4.985689     -1.435208      2.274327
  C      -7.165459     -4.979154      4.141917
  C      -8.307605     -5.788126      4.275274
  C      -9.360143     -5.354822      5.103763
  C      -9.292021     -4.158129      5.807526
  F     -10.302402     -3.830822      6.637965
  C      -8.163950     -3.320823      5.664706
  C      -7.871866     -2.053059      6.362521
  O      -8.672923     -1.457619      7.042167
  C      -6.408629     -1.317918      6.099676
  O      -3.941000     -3.110178      6.576307
  C      -6.116398     -0.328677      7.212748
  O      -6.884563      0.432060      7.707558
  Cl     -4.359298     -0.264432      7.736097
  C      -7.194055     -3.756608      4.794095
  C      -3.441120     -5.916935      6.522133
  C      -2.380493     -6.062945      7.438820
  C      -2.613497     -6.027178      8.812273
  C      -3.907818     -5.834714      9.276707
  F      -4.109911     -5.742689     10.612596
  C      -5.000439     -5.754463      8.398955
  C      -6.385218     -5.509958      8.814181
  O      -7.362162     -5.612735      8.075955
  C      -6.784512     -5.052363     10.221501
  O      -7.021386     -5.801964     11.136294
  C      -7.006320     -3.516221     10.276932
  O      -6.602653     -2.776250      9.427527
  Cl     -7.828296     -2.975737     11.749339
  C      -4.743570     -5.830082      7.022648
  H      -1.597535     -1.291318      2.512962
  H      -2.092053      1.162965      2.395269
  H      -5.815392     -2.142722      2.256416
  H      -8.385244     -6.762079      3.791048
  H     -10.239413     -5.985070      5.242108
  H      -6.356512     -3.100520      4.673103
  H      -1.355900     -6.148372      7.073479
  H      -1.796452     -6.110787      9.529167
  H      -5.589177     -5.750572      6.337459
  N      -4.475938     -3.038166      5.457869
  N      -5.272691     -1.715339      5.201236
  H      -4.573083     -0.975442      5.341965
  H      -6.942068     -0.682744      5.357695
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.547205394768
  N      -3.417018     -3.275128      2.542008
  C      -2.828361     -3.897409      1.346905
  C      -2.458440     -5.338596      1.651463
  N      -3.520005     -5.988442      2.463985
  C      -4.730707     -6.324661      1.669545
  C      -5.938282     -6.425041      2.591408
  N      -5.960450     -5.267286      3.487946
  Mo     -4.194902     -4.422876      3.988736
  N      -3.244088     -5.780383      5.137957
  C      -2.312959     -6.703231      4.479537
  C      -2.981716     -7.171243      3.191410
  H      -2.109904     -7.575615      5.120379
  H      -1.340835     -6.223652      4.266571
  H      -3.829415     -7.818105      3.452582
  H      -2.293382     -7.740172      2.542863
  H      -6.852600     -6.454558      1.974190
  H      -5.915769     -7.367491      3.171779
  H      -4.892659     -5.508290      0.952457
  H      -4.578375     -7.259078      1.101721
  H      -1.918825     -3.356292      1.031732
  H      -3.537808     -3.830539      0.499447
  H      -1.542598     -5.352989      2.259295
  H      -2.265911     -5.911697      0.727772
  C      -3.667165     -1.886916      2.394363
  C      -2.616644     -0.949274      2.420023
  C      -2.870790      0.420660      2.365131
  C      -4.187393      0.848598      2.277570
  F      -4.434952      2.184488      2.255349
  C      -5.263417     -0.048214      2.227042
  C      -6.667640      0.377940      2.216467
  O      -7.625867     -0.387811      2.204258
  C      -7.045582      1.870559      2.234202
  O      -7.392549      2.475598      1.251253
  C      -7.077497      2.460184      3.670410
  O      -6.748343      1.824162      4.630321
  Cl     -7.610988      4.142898      3.734116
  C      -4.977228     -1.423479      2.273536
  C      -7.170647     -4.991683      4.143589
  C      -8.305715     -5.808761      4.287280
  C      -9.356248     -5.381389      5.121333
  C      -9.291991     -4.182969      5.822029
  F     -10.297628     -3.862822      6.660910
  C      -8.172377     -3.336495      5.666588
  C      -7.880666     -2.069048      6.365559
  O      -8.678175     -1.488558      7.063103
  C      -6.433995     -1.310848      6.084942
  O      -3.950928     -3.098967      6.566698
  C      -6.135975     -0.327935      7.203948
  O      -6.905738      0.426121      7.706693
  Cl     -4.376788     -0.255055      7.712120
  C      -7.206063     -3.765048      4.787984
  C      -3.440479     -5.910427      6.520894
  C      -2.377655     -6.054690      7.435422
  C      -2.608001     -6.020694      8.809371
  C      -3.901882     -5.831655      9.276554
  F      -4.101709     -5.741747     10.612955
  C      -4.996259     -5.752821      8.400922
  C      -6.381083     -5.513114      8.819024
  O      -7.358814     -5.616773      8.082015
  C      -6.778491     -5.058472     10.227843
  O      -7.021913     -5.810622     11.138784
  C      -7.007567     -3.523424     10.283767
  O      -6.609380     -2.781513      9.433367
  Cl     -7.833471     -2.987363     11.755635
  C      -4.742027     -5.826376      7.024098
  H      -1.589155     -1.302860      2.523387
  H      -2.066610      1.155086      2.409395
  H      -5.811620     -2.125259      2.251692
  H      -8.378000     -6.785599      3.808035
  H     -10.229263     -6.018422      5.267953
  H      -6.381502     -3.093406      4.659230
  H      -1.353568     -6.137574      7.068102
  H      -1.789313     -6.103216      9.524514
  H      -5.589298     -5.748277      6.340777
  N      -4.494394     -3.037575      5.451896
  N      -5.301890     -1.720221      5.188997
  H      -4.599063     -0.980697      5.311225
  H      -6.968816     -0.668797      5.351689
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.548915757882
  N      -3.419916     -3.273656      2.544413
  C      -2.837835     -3.896282      1.345809
  C      -2.464616     -5.336832      1.648773
  N      -3.524076     -5.988693      2.462313
  C      -4.732588     -6.331315      1.667354
  C      -5.940427     -6.435178      2.588267
  N      -5.967560     -5.275682      3.482218
  Mo     -4.207006     -4.423051      3.985545
  N      -3.250471     -5.774083      5.136901
  C      -2.315991     -6.694943      4.479851
  C      -2.982396     -7.168093      3.192611
  H      -2.109413     -7.565080      5.122561
  H      -1.345849     -6.211749      4.265989
  H      -3.828071     -7.817237      3.454727
  H      -2.291899     -7.736277      2.545713
  H      -6.854338     -6.469665      1.970715
  H      -5.914273     -7.376286      3.170637
  H      -4.897353     -5.516775      0.948793
  H      -4.575702     -7.265939      1.101108
  H      -1.930675     -3.354207      1.025577
  H      -3.552139     -3.830055      0.502408
  H      -1.547860     -5.349653      2.255201
  H      -2.272417     -5.909094      0.724501
  C      -3.661071     -1.883654      2.398734
  C      -2.604659     -0.952909      2.432607
  C      -2.849496      0.418809      2.379398
  C      -4.162805      0.855523      2.285369
  F      -4.401671      2.192980      2.265920
  C      -5.244255     -0.034273      2.226204
  C      -6.645520      0.400737      2.210218
  O      -7.608883     -0.358501      2.195995
  C      -7.014890      1.895261      2.224530
  O      -7.336758      2.506086      1.236691
  C      -7.070917      2.479821      3.662040
  O      -6.754829      1.841155      4.624651
  Cl     -7.600749      4.163822      3.722488
  C      -4.967277     -1.411528      2.270992
  C      -7.177735     -5.004459      4.139218
  C      -8.305290     -5.830245      4.291747
  C      -9.354965     -5.409527      5.130118
  C      -9.295914     -4.209482      5.828014
  F     -10.297623     -3.897101      6.674411
  C      -8.185243     -3.353372      5.661271
  C      -7.895037     -2.086609      6.362514
  O      -8.688984     -1.521939      7.077767
  C      -6.464852     -1.305763      6.066750
  O      -3.967085     -3.089277      6.557326
  C      -6.163100     -0.329046      7.192209
  O      -6.935506      0.417769      7.701875
  Cl     -4.402824     -0.246871      7.688644
  C      -7.221380     -3.773809      4.775689
  C      -3.445257     -5.904341      6.519952
  C      -2.380643     -6.047896      7.432704
  C      -2.608300     -6.016089      8.807085
  C      -3.901395     -5.829239      9.276984
  F      -4.098938     -5.741510     10.613920
  C      -4.997334     -5.749747      8.403574
  C      -6.381258     -5.511653      8.825799
  O      -7.360766     -5.613416      8.091088
  C      -6.774260     -5.061655     10.237592
  O      -7.011751     -5.816521     11.147867
  C      -6.977213     -3.523565     10.307640
  O      -6.575868     -2.781957      9.458706
  Cl     -7.773598     -2.985001     11.794807
  C      -4.745923     -5.821484      7.025960
  H      -1.580173     -1.313603      2.541116
  H      -2.040819      1.147829      2.430360
  H      -5.806047     -2.107741      2.242502
  H      -8.370967     -6.809857      3.817187
  H     -10.221436     -6.053748      5.283944
  H      -6.409936     -3.086902      4.639885
  H      -1.357111     -6.129270      7.063547
  H      -1.788085     -6.098653      9.520471
  H      -5.594741     -5.743357      6.344554
  N      -4.517180     -3.037814      5.445531
  N      -5.334679     -1.725949      5.175451
  H      -4.629246     -0.987135      5.281237
  H      -7.000109     -0.656853      5.341206
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.550468732905
  N      -3.423215     -3.272621      2.544895
  C      -2.850235     -3.896195      1.341934
  C      -2.473832     -5.336135      1.643105
  N      -3.529989     -5.989356      2.459850
  C      -4.737891     -6.338490      1.666735
  C      -5.944424     -6.444607      2.589002
  N      -5.974252     -5.282729      3.479613
  Mo     -4.217350     -4.422976      3.981965
  N      -3.253740     -5.767063      5.134910
  C      -2.317083     -6.686184      4.477852
  C      -2.983620     -7.164976      3.192888
  H      -2.105847     -7.553868      5.122315
  H      -1.349297     -6.199539      4.261077
  H      -3.826860     -7.816119      3.457917
  H      -2.292249     -7.732913      2.546710
  H      -6.859078     -6.484144      1.972864
  H      -5.913972     -7.383949      3.173989
  H      -4.906369     -5.526256      0.946398
  H      -4.577860     -7.273756      1.102431
  H      -1.945896     -3.353671      1.014648
  H      -3.570965     -3.830676      0.503970
  H      -1.555088     -5.347501      2.246496
  H      -2.283789     -5.907985      0.718138
  C      -3.654989     -1.880779      2.401132
  C      -2.592432     -0.957342      2.441833
  C      -2.827501      0.416142      2.389803
  C      -4.137329      0.862079      2.289889
  F      -4.366933      2.201098      2.272902
  C      -5.224493     -0.020242      2.222987
  C      -6.622705      0.423934      2.201255
  O      -7.591354     -0.328658      2.190881
  C      -6.983208      1.920477      2.214582
  O      -7.286658      2.536951      1.224450
  C      -7.060892      2.498034      3.654065
  O      -6.754962      1.855742      4.617567
  Cl     -7.596497      4.180045      3.715546
  C      -4.957162     -1.399510      2.267093
  C      -7.182731     -5.015150      4.140857
  C      -8.302234     -5.849359      4.306219
  C      -9.348665     -5.434864      5.151513
  C      -9.292730     -4.232952      5.845767
  F     -10.287741     -3.927791      6.702539
  C      -8.191651     -3.367522      5.664207
  C      -7.900660     -2.101957      6.367623
  O      -8.687624     -1.553282      7.103547
  C      -6.487636     -1.299534      6.052089
  O      -3.974400     -3.077581      6.546382
  C      -6.179338     -0.328182      7.182476
  O      -6.952641      0.411737      7.700884
  Cl     -4.416318     -0.236162      7.662338
  C      -7.232794     -3.780004      4.768736
  C      -3.445391     -5.896384      6.518387
  C      -2.378318     -6.038103      7.428669
  C      -2.602883     -6.007373      8.803605
  C      -3.895391     -5.823608      9.276499
  F      -4.090357     -5.737655     10.613966
  C      -4.993318     -5.745876      8.405434
  C      -6.377329     -5.513563      8.830859
  O      -7.357837     -5.618276      8.097976
  C      -6.768406     -5.068678     10.244801
  O      -7.012833     -5.827698     11.149751
  C      -6.987253     -3.532829     10.315421
  O      -6.595076     -2.786923      9.465833
  Cl     -7.791905     -3.003280     11.801425
  C      -4.744910     -5.815905      7.027360
  H      -1.571087     -1.325499      2.554837
  H      -2.014100      1.139441      2.446543
  H      -5.800490     -2.089844      2.232646
  H      -8.362515     -6.832015      3.837211
  H     -10.208013     -6.086111      5.315324
  H      -6.434680     -3.078620      4.622644
  H      -1.355431     -6.117187      7.057265
  H      -1.780864     -6.088624      9.515065
  H      -5.595550     -5.739344      6.348021
  N      -4.533739     -3.036279      5.438851
  N      -5.361430     -1.730214      5.163051
  H      -4.653379     -0.992061      5.250735
  H      -7.025558     -0.644499      5.335000
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.551884878711
  N      -3.427164     -3.271436      2.547097
  C      -2.861145     -3.894653      1.340387
  C      -2.481247     -5.333868      1.639450
  N      -3.534906     -5.989222      2.457613
  C      -4.740754     -6.345036      1.664285
  C      -5.947241     -6.454823      2.585979
  N      -5.981994     -5.291110      3.473644
  Mo     -4.229893     -4.423753      3.978413
  N      -3.260976     -5.761235      5.133158
  C      -2.320498     -6.677631      4.477188
  C      -2.984586     -7.161450      3.193110
  H      -2.105213     -7.543043      5.123311
  H      -1.355002     -6.186790      4.259605
  H      -3.825489     -7.815280      3.458981
  H      -2.290974     -7.728129      2.548239
  H      -6.861625     -6.499736      1.969798
  H      -5.912704     -7.392728      3.173053
  H      -4.912332     -5.534783      0.942420
  H      -4.576029     -7.280487      1.101637
  H      -1.959507     -3.350887      1.007822
  H      -3.586996     -3.829796      0.506804
  H      -1.561286     -5.343776      2.240947
  H      -2.292034     -5.904750      0.713723
  C      -3.649360     -1.877738      2.406591
  C      -2.580709     -0.961799      2.456674
  C      -2.805912      0.413457      2.407757
  C      -4.112057      0.868833      2.301537
  F      -4.332457      2.209364      2.290218
  C      -5.204798     -0.005871      2.224592
  C      -6.599846      0.447477      2.198650
  O      -7.573648     -0.298342      2.181711
  C      -6.951458      1.945863      2.201742
  O      -7.234877      2.562008      1.205497
  C      -7.048748      2.526134      3.638895
  O      -6.754312      1.886066      4.607531
  Cl     -7.590920      4.206343      3.690473
  C      -4.947210     -1.387161      2.265474
  C      -7.189780     -5.027947      4.137450
  C      -8.300472     -5.871444      4.314309
  C      -9.344672     -5.463959      5.165498
  C      -9.293314     -4.260172      5.856290
  F     -10.282406     -3.962843      6.722523
  C      -8.202675     -3.384596      5.660874
  C      -7.912267     -2.120446      6.367235
  O      -8.692571     -1.588889      7.123255
  C      -6.516942     -1.295858      6.034418
  O      -3.988833     -3.067424      6.535821
  C      -6.204274     -0.329385      7.169785
  O      -6.979712      0.402804      7.696101
  Cl     -4.439387     -0.225825      7.635227
  C      -7.247878     -3.788302      4.756566
  C      -3.450335     -5.890563      6.516891
  C      -2.380798     -6.031123      7.424687
  C      -2.601842     -6.001902      8.800157
  C      -3.893398     -5.820515      9.276432
  F      -4.085225     -5.736091     10.614501
  C      -4.993443     -5.743124      8.408210
  C      -6.376611     -5.513425      8.838182
  O      -7.358785     -5.615627      8.107393
  C      -6.762908     -5.073349     10.255152
  O      -7.004960     -5.835695     11.157953
  C      -6.965848     -3.535965     10.336830
  O      -6.574964     -2.789132      9.487611
  Cl     -7.750732     -3.007320     11.833760
  C      -4.748625     -5.811555      7.029300
  H      -1.562737     -1.337602      2.574797
  H      -1.987927      1.130877      2.472476
  H      -5.794988     -2.071533      2.223329
  H      -8.353909     -6.857083      3.850688
  H     -10.196457     -6.122728      5.338434
  H      -6.463177     -3.072993      4.600580
  H      -1.358686     -6.108460      7.050836
  H      -1.777892     -6.082554      9.509448
  H      -5.601179     -5.735351      6.352311
  N      -4.555376     -3.036445      5.431830
  N      -5.392983     -1.736094      5.149477
  H      -4.683416     -0.998569      5.220678
  H      -7.056934     -0.635372      5.324746
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.553161044765
  N      -3.430622     -3.270242      2.548827
  C      -2.872302     -3.893277      1.338212
  C      -2.489454     -5.331991      1.635028
  N      -3.540649     -5.989133      2.454852
  C      -4.744664     -6.351406      1.661661
  C      -5.950856     -6.464136      2.583113
  N      -5.989791     -5.298341      3.467411
  Mo     -4.241960     -4.424500      3.974111
  N      -3.268173     -5.755250      5.131011
  C      -2.324341     -6.669138      4.475845
  C      -2.986439     -7.157929      3.192917
  H      -2.104988     -7.532320      5.123541
  H      -1.361094     -6.174380      4.257097
  H      -3.825074     -7.814201      3.459960
  H      -2.290913     -7.723626      2.549263
  H      -6.865174     -6.514347      1.967241
  H      -5.912353     -7.400385      3.172583
  H      -4.919174     -5.543267      0.938110
  H      -4.575693     -7.287196      1.100849
  H      -1.973316     -3.348659      0.999981
  H      -3.603547     -3.828836      0.509317
  H      -1.568125     -5.340828      2.234392
  H      -2.301514     -5.901986      0.708509
  C      -3.643152     -1.874743      2.411675
  C      -2.568766     -0.966196      2.472247
  C      -2.784378      0.410681      2.425604
  C      -4.086689      0.875149      2.310853
  F      -4.298077      2.217036      2.302254
  C      -5.184561      0.007915      2.222549
  C      -6.576408      0.470121      2.187306
  O      -7.555104     -0.269228      2.168338
  C      -6.919637      1.970247      2.190616
  O      -7.176966      2.594204      1.192232
  C      -7.044147      2.541906      3.629238
  O      -6.764468      1.896807      4.598984
  Cl     -7.582041      4.223380      3.680725
  C      -4.936472     -1.375196      2.261627
  C      -7.196394     -5.039308      4.134595
  C      -8.297755     -5.892038      4.324690
  C      -9.338827     -5.491487      5.182685
  C      -9.291405     -4.285653      5.869478
  F     -10.273272     -3.995881      6.746301
  C      -8.211733     -3.400117      5.658785
  C      -7.920796     -2.137907      6.368483
  O      -8.691986     -1.623664      7.146129
  C      -6.543206     -1.292696      6.017189
  O      -4.000475     -3.056969      6.524777
  C      -6.225529     -0.330106      7.156509
  O      -7.002426      0.394630      7.690959
  Cl     -4.458325     -0.214472      7.606482
  C      -7.262037     -3.794978      4.744450
  C      -3.454670     -5.883570      6.515098
  C      -2.382396     -6.022986      7.420033
  C      -2.599408     -5.994520      8.796109
  C      -3.889783     -5.814772      9.276096
  F      -4.078025     -5.731264     10.614780
  C      -4.992221     -5.737772      8.410975
  C      -6.374453     -5.510801      8.845749
  O      -7.358643     -5.612897      8.117815
  C      -6.755908     -5.076810     10.266050
  O      -7.000950     -5.843712     11.164185
  C      -6.955619     -3.539602     10.356203
  O      -6.567678     -2.789475      9.508636
  Cl     -7.732256     -3.016851     11.859566
  C      -4.751454     -5.805319      7.031296
  H      -1.554335     -1.349435      2.596753
  H      -1.962137      1.122390      2.498732
  H      -5.788351     -2.053791      2.210487
  H      -8.344600     -6.880726      3.866792
  H     -10.182581     -6.157760      5.365850
  H      -6.490727     -3.066604      4.576802
  H      -1.361231     -6.099072      7.043398
  H      -1.773321     -6.074515      9.502984
  H      -5.606115     -5.729527      6.356905
  N      -4.574800     -3.036036      5.424697
  N      -5.421645     -1.741804      5.135775
  H      -4.710805     -1.004980      5.190426
  H      -7.085854     -0.627198      5.314263
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.554330187129
  N      -3.434946     -3.269362      2.550966
  C      -2.883641     -3.891354      1.336474
  C      -2.497663     -5.329531      1.630587
  N      -3.546411     -5.988795      2.451839
  C      -4.748421     -6.357574      1.658409
  C      -5.954457     -6.473864      2.579436
  N      -5.998080     -5.306175      3.460536
  Mo     -4.254665     -4.425995      3.969913
  N      -3.276531     -5.750276      5.128661
  C      -2.328657     -6.660951      4.474317
  C      -2.988152     -7.154364      3.192088
  H      -2.105131     -7.522038      5.123336
  H      -1.367794     -6.161775      4.255019
  H      -3.824371     -7.813495      3.459685
  H      -2.290326     -7.718476      2.549555
  H      -6.868574     -6.529570      1.963721
  H      -5.911739     -7.408591      3.171055
  H      -4.925917     -5.551376      0.933400
  H      -4.574809     -7.293467      1.099199
  H      -1.987382     -3.345435      0.993187
  H      -3.619912     -3.827286      0.511993
  H      -1.575006     -5.337391      2.227868
  H      -2.310920     -5.898369      0.703132
  C      -3.637637     -1.871970      2.418295
  C      -2.557468     -0.971144      2.490471
  C      -2.763176      0.407364      2.447591
  C      -4.061385      0.881389      2.324683
  F      -4.263515      2.224587      2.321986
  C      -5.164457      0.022009      2.223898
  C      -6.552994      0.493319      2.181359
  O      -7.536548     -0.239436      2.156240
  C      -6.887545      1.995144      2.177101
  O      -7.126038      2.619697      1.174418
  C      -7.033274      2.567255      3.613580
  O      -6.766167      1.922870      4.587382
  Cl     -7.579843      4.246048      3.657171
  C      -4.926150     -1.362990      2.259503
  C      -7.203364     -5.051461      4.131427
  C      -8.294676     -5.913647      4.335666
  C      -9.332060     -5.519987      5.200971
  C      -9.288395     -4.311862      5.883389
  F     -10.262371     -4.029355      6.771165
  C      -8.220486     -3.416171      5.656444
  C      -7.928780     -2.156147      6.369652
  O      -8.689525     -1.659849      7.169492
  C      -6.569576     -1.290423      5.999678
  O      -4.012773     -3.046682      6.513538
  C      -6.247129     -0.330303      7.141660
  O      -7.025573      0.386804      7.684165
  Cl     -4.477478     -0.200753      7.575014
  C      -7.276619     -3.802287      4.731660
  C      -3.460142     -5.877772      6.513169
  C      -2.384938     -6.015773      7.415081
  C      -2.597726     -5.987611      8.791771
  C      -3.886918     -5.809595      9.275572
  F      -4.071397     -5.726596     10.614874
  C      -4.991887     -5.733666      8.413738
  C      -6.373195     -5.509688      8.853441
  O      -7.359241     -5.610431      8.128065
  C      -6.749528     -5.080923     10.276878
  O      -6.993010     -5.851778     11.172067
  C      -6.943510     -3.543638     10.375673
  O      -6.561586     -2.791080      9.527615
  Cl     -7.706483     -3.025337     11.887656
  C      -4.755355     -5.800527      7.033275
  H      -1.546806     -1.362156      2.621244
  H      -1.936669      1.113039      2.530379
  H      -5.782151     -2.035532      2.198605
  H      -8.334715     -6.905448      3.883788
  H     -10.167360     -6.193760      5.395052
  H      -6.518592     -3.061906      4.550974
  H      -1.364776     -6.090456      7.035519
  H      -1.769427     -6.066565      9.496171
  H      -5.612197     -5.725384      6.361564
  N      -4.594535     -3.036194      5.417345
  N      -5.450349     -1.748078      5.121746
  H      -4.738957     -1.011844      5.159865
  H      -7.115261     -0.621156      5.302947
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.555396373213
  N      -3.439251     -3.268440      2.553591
  C      -2.894294     -3.888897      1.335435
  C      -2.505574     -5.326712      1.626563
  N      -3.552319     -5.988234      2.448497
  C      -4.751851     -6.363231      1.654157
  C      -5.958073     -6.483285      2.574145
  N      -6.006779     -5.313892      3.452096
  Mo     -4.267886     -4.427927      3.965259
  N      -3.286363     -5.745997      5.126105
  C      -2.334299     -6.653277      4.472750
  C      -2.990498     -7.150811      3.190789
  H      -2.106983     -7.512491      5.122908
  H      -1.375686     -6.149719      4.253536
  H      -3.824447     -7.812869      3.458252
  H      -2.290059     -7.713111      2.549539
  H      -6.871705     -6.544439      1.958212
  H      -5.911342     -7.416555      3.167782
  H      -4.931914     -5.558766      0.927837
  H      -4.573330     -7.299050      1.096391
  H      -2.000522     -3.341646      0.987864
  H      -3.635027     -3.824886      0.514935
  H      -1.581864     -5.333971      2.222175
  H      -2.319715     -5.894139      0.698086
  C      -3.632201     -1.869252      2.425967
  C      -2.546784     -0.975970      2.511801
  C      -2.743004      0.404033      2.472749
  C      -4.036916      0.887203      2.339573
  F      -4.230240      2.231563      2.341227
  C      -5.144546      0.035461      2.224277
  C      -6.529624      0.515584      2.170820
  O      -7.517731     -0.210752      2.138690
  C      -6.855844      2.019014      2.164880
  O      -7.068173      2.649513      1.160121
  C      -7.028475      2.585280      3.600788
  O      -6.777362      1.937313      4.576551
  Cl     -7.570824      4.265407      3.641206
  C      -4.915654     -1.351238      2.256527
  C      -7.210928     -5.063759      4.126425
  C      -8.291640     -5.935541      4.345094
  C      -9.325285     -5.548839      5.217665
  C      -9.285626     -4.338293      5.895404
  F     -10.251503     -4.062856      6.794010
  C      -8.229948     -3.432446      5.652092
  C      -7.937268     -2.174948      6.369166
  O      -8.686203     -1.696872      7.191420
  C      -6.596441     -1.289820      5.981129
  O      -4.026446     -3.037238      6.502563
  C      -6.269917     -0.331026      7.124897
  O      -7.049970      0.378528      7.674936
  Cl     -4.498048     -0.186705      7.542030
  C      -7.292124     -3.809793      4.716804
  C      -3.466804     -5.872164      6.511024
  C      -2.388368     -6.009302      7.409448
  C      -2.596101     -5.981025      8.786817
  C      -3.883600     -5.803379      9.275096
  F      -4.063383     -5.720060     10.615068
  C      -4.991490     -5.727372      8.417154
  C      -6.371145     -5.503920      8.862743
  O      -7.359813     -5.602197      8.140789
  C      -6.740698     -5.081423     10.290026
  O      -6.987446     -5.857013     11.180249
  C      -6.925134     -3.543893     10.399799
  O      -6.543831     -2.788236      9.554402
  Cl     -7.676750     -3.031031     11.919431
  C      -4.760086     -5.794430      7.035747
  H      -1.540090     -1.374500      2.650207
  H      -1.912719      1.103874      2.566442
  H      -5.775307     -2.017934      2.184164
  H      -8.324561     -6.930383      3.899245
  H     -10.151787     -6.230127      5.422761
  H      -6.547223     -3.058341      4.522193
  H      -1.369491     -6.083620      7.026439
  H      -1.765270     -6.059514      9.488278
  H      -5.619389     -5.719166      6.367183
  N      -4.614935     -3.037020      5.410001
  N      -5.478855     -1.755309      5.107046
  H      -4.767391     -1.019624      5.129269
  H      -7.145045     -0.617444      5.289307
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.556067644354
  N      -3.440122     -3.270708      2.548069
  C      -2.895476     -3.892809      1.329862
  C      -2.505852     -5.329630      1.623621
  N      -3.554717     -5.987255      2.446496
  C      -4.752220     -6.366506      1.648568
  C      -5.959902     -6.488969      2.565696
  N      -6.011031     -5.318567      3.442059
  Mo     -4.277814     -4.426221      3.956060
  N      -3.292831     -5.737534      5.121510
  C      -2.338500     -6.645641      4.472662
  C      -2.993681     -7.148034      3.193037
  H      -2.109830     -7.502030      5.126105
  H      -1.380146     -6.141894      4.252101
  H      -3.827454     -7.809886      3.461538
  H      -2.292875     -7.711757      2.553498
  H      -6.873139     -6.553412      1.949496
  H      -5.910938     -7.421222      3.160820
  H      -4.932593     -5.563217      0.921050
  H      -4.568820     -7.301987      1.091830
  H      -2.002484     -3.345372      0.980388
  H      -3.637197     -3.830520      0.510143
  H      -1.582819     -5.335607      2.220150
  H      -2.319232     -5.899667      0.696921
  C      -3.629850     -1.871171      2.420750
  C      -2.543129     -0.980076      2.515906
  C      -2.735592      0.400398      2.479475
  C      -4.027495      0.887319      2.341104
  F      -4.217858      2.231858      2.346675
  C      -5.136705      0.038765      2.218071
  C      -6.520478      0.522988      2.165883
  O      -7.510834     -0.200126      2.127351
  C      -6.842107      2.027708      2.164009
  O      -7.045862      2.663044      1.159859
  C      -7.018956      2.591584      3.600391
  O      -6.767751      1.945459      4.577076
  Cl     -7.566001      4.270206      3.640720
  C      -4.911121     -1.348625      2.245399
  C      -7.214098     -5.068861      4.121110
  C      -8.287753     -5.946159      4.347579
  C      -9.316913     -5.563758      5.228382
  C      -9.277743     -4.353402      5.907968
  F     -10.237902     -4.086177      6.815261
  C      -8.230765     -3.438446      5.657259
  C      -7.937163     -2.182043      6.382623
  O      -8.676103     -1.710301      7.218522
  C      -6.597562     -1.301978      5.983590
  O      -4.049347     -3.025507      6.498854
  C      -6.271706     -0.342392      7.123955
  O      -7.053883      0.361283      7.678485
  Cl     -4.495320     -0.186004      7.529506
  C      -7.297943     -3.813673      4.707543
  C      -3.473150     -5.858359      6.507227
  C      -2.394676     -5.990625      7.407052
  C      -2.602099     -5.962235      8.784415
  C      -3.890204     -5.789021      9.272531
  F      -4.071127     -5.707114     10.612424
  C      -4.997789     -5.716257      8.413984
  C      -6.378067     -5.501604      8.861972
  O      -7.366948     -5.602750      8.141592
  C      -6.746822     -5.085599     10.291301
  O      -6.997731     -5.865888     11.176220
  C      -6.919598     -3.547716     10.413267
  O      -6.530622     -2.787445      9.575608
  Cl     -7.668956     -3.041612     11.937386
  C      -4.766281     -5.782423      7.032702
  H      -1.538263     -1.381605      2.658908
  H      -1.903942      1.097648      2.579929
  H      -5.772160     -2.012861      2.165991
  H      -8.317582     -6.941614      3.902771
  H     -10.138343     -6.249045      5.440283
  H      -6.561599     -3.053809      4.499711
  H      -1.375302     -6.063318      7.024871
  H      -1.770367     -6.037620      9.485116
  H      -5.626257     -5.712444      6.364400
  N      -4.635499     -3.034093      5.403539
  N      -5.489764     -1.764481      5.111919
  H      -4.769613     -1.014928      5.132637
  H      -7.144845     -0.619997      5.303304
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.557088333159
  N      -3.444508     -3.270251      2.550132
  C      -2.905391     -3.890620      1.328487
  C      -2.513524     -5.327243      1.619352
  N      -3.561002     -5.986687      2.442669
  C      -4.755942     -6.371765      1.643306
  C      -5.964150     -6.497923      2.559037
  N      -6.020180     -5.325976      3.432539
  Mo     -4.291535     -4.428181      3.950565
  N      -3.303367     -5.733190      5.118575
  C      -2.345002     -6.638206      4.470921
  C      -2.996992     -7.144659      3.191557
  H      -2.112901     -7.492776      5.125525
  H      -1.388679     -6.130505      4.250479
  H      -3.828765     -7.809084      3.459884
  H      -2.293679     -7.706875      2.553470
  H      -6.876798     -6.567463      1.942517
  H      -5.911434     -7.428789      3.156028
  H      -4.938457     -5.569926      0.914700
  H      -4.567585     -7.306958      1.087774
  H      -2.014646     -3.341863      0.975426
  H      -3.651031     -3.828263      0.512320
  H      -1.589679     -5.332907      2.214576
  H      -2.327670     -5.896014      0.691758
  C      -3.624678     -1.868986      2.428335
  C      -2.533268     -0.985400      2.538791
  C      -2.716501      0.396426      2.507343
  C      -4.003827      0.892459      2.358221
  F      -4.185751      2.237925      2.370053
  C      -5.117076      0.051546      2.219136
  C      -6.497288      0.544542      2.156488
  O      -7.491923     -0.172292      2.109464
  C      -6.810762      2.050670      2.150918
  O      -6.993258      2.688783      1.144359
  C      -7.011941      2.612233      3.584988
  O      -6.775402      1.965303      4.564822
  Cl     -7.565196      4.288907      3.618763
  C      -4.900607     -1.337410      2.241944
  C      -7.221535     -5.080653      4.116023
  C      -8.283808     -5.967312      4.358589
  C      -9.307765     -5.591548      5.247758
  C      -9.271674     -4.378679      5.922336
  F     -10.222276     -4.118162      6.841350
  C      -8.237997     -3.453698      5.654144
  C      -7.942574     -2.200156      6.383841
  O      -8.667288     -1.746838      7.242493
  C      -6.621041     -1.303404      5.966581
  O      -4.063732     -3.015775      6.487271
  C      -6.291099     -0.343316      7.107045
  O      -7.074642      0.353083      7.668694
  Cl     -4.512248     -0.168811      7.493699
  C      -7.312750     -3.820491      4.692308
  C      -3.480369     -5.851696      6.504869
  C      -2.398799     -5.982398      7.401422
  C      -2.601409     -5.953187      8.779451
  C      -3.888049     -5.780909      9.271621
  F      -4.064864     -5.698554     10.612137
  C      -4.998413     -5.709379      8.416668
  C      -6.377398     -5.497550      8.870361
  O      -7.368560     -5.596926      8.153156
  C      -6.740007     -5.088190     10.303388
  O      -6.990984     -5.873315     11.184024
  C      -6.905340     -3.550519     10.436247
  O      -6.520128     -2.786662      9.600219
  Cl     -7.641774     -3.050985     11.969025
  C      -4.771674     -5.775738      7.034640
  H      -1.532613     -1.394383      2.689909
  H      -1.881512      1.087766      2.620149
  H      -5.764915     -1.995781      2.150149
  H      -8.306843     -6.965799      3.920105
  H     -10.119800     -6.284084      5.471855
  H      -6.589795     -3.050782      4.467832
  H      -1.380624     -6.054550      7.016010
  H      -1.767206     -6.027365      9.477333
  H      -5.634050     -5.706703      6.369310
  N      -4.656044     -3.034786      5.395150
  N      -5.516020     -1.772544      5.098312
  H      -4.796153     -1.023055      5.104125
  H      -7.171051     -0.618097      5.291224
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.558060819762
  N      -3.448880     -3.269806      2.553093
  C      -2.913890     -3.887829      1.328424
  C      -2.520414     -5.324505      1.616124
  N      -3.567384     -5.985949      2.438559
  C      -4.759182     -6.375891      1.636625
  C      -5.968637     -6.506019      2.549946
  N      -6.029913     -5.333100      3.421271
  Mo     -4.305919     -4.430558      3.944924
  N      -3.315456     -5.729875      5.115688
  C      -2.353281     -6.631960      4.469353
  C      -3.001512     -7.141630      3.189664
  H      -2.118567     -7.485123      5.124864
  H      -1.398600     -6.120754      4.249768
  H      -3.831772     -7.808314      3.457035
  H      -2.295503     -7.702414      2.553312
  H      -6.880224     -6.579967      1.932383
  H      -5.912880     -7.435876      3.148243
  H      -4.942994     -5.574875      0.907412
  H      -4.565761     -7.310428      1.081770
  H      -2.024887     -3.337695      0.973201
  H      -3.662429     -3.824948      0.514946
  H      -1.596303     -5.330405      2.210884
  H      -2.334655     -5.891594      0.687522
  C      -3.619852     -1.866927      2.437481
  C      -2.524554     -0.990544      2.565528
  C      -2.699236      0.392490      2.539827
  C      -3.981774      0.897129      2.378203
  F      -4.155954      2.243363      2.396023
  C      -5.098193      0.063518      2.220812
  C      -6.474649      0.564913      2.144777
  O      -7.473128     -0.145823      2.086687
  C      -6.780317      2.072297      2.137091
  O      -6.936718      2.714851      1.128945
  C      -7.009964      2.629767      3.568406
  O      -6.790779      1.980820      4.551010
  Cl     -7.563291      4.306560      3.595930
  C      -4.890250     -1.326813      2.238713
  C      -7.229654     -5.092468      4.109007
  C      -8.280191     -5.988413      4.367460
  C      -9.298822     -5.619152      5.264872
  C      -9.265854     -4.403673      5.934302
  F     -10.207116     -4.149299      6.864362
  C      -8.245685     -3.468889      5.649087
  C      -7.948615     -2.218191      6.383171
  O      -8.658223     -1.782991      7.263813
  C      -6.644522     -1.306918      5.948555
  O      -4.080211     -3.006883      6.476069
  C      -6.311176     -0.345009      7.088347
  O      -7.096053      0.344093      7.656909
  Cl     -4.530173     -0.151037      7.455716
  C      -7.328355     -3.827518      4.675207
  C      -3.488690     -5.845620      6.502596
  C      -2.403698     -5.975405      7.395314
  C      -2.600629     -5.945118      8.774087
  C      -3.885304     -5.772638      9.271010
  F      -4.057107     -5.689095     10.612217
  C      -4.998867     -5.701236      8.420311
  C      -6.375836     -5.490041      8.880725
  O      -7.369965     -5.585744      8.167346
  C      -6.730621     -5.088487     10.318145
  O      -6.987538     -5.878926     11.192315
  C      -6.881020     -3.550703     10.464938
  O      -6.492538     -2.783291      9.633851
  Cl     -7.607010     -3.057740     12.005046
  C      -4.777835     -5.768345      7.037371
  H      -1.528281     -1.406613      2.725895
  H      -1.861593      1.078171      2.666601
  H      -5.757223     -1.979599      2.133103
  H      -8.296393     -6.989708      3.934987
  H     -10.101388     -6.318679      5.500954
  H      -6.618589     -3.049154      4.433196
  H      -1.387019     -6.047994      7.006101
  H      -1.763587     -6.018681      9.468616
  H      -5.642914     -5.699472      6.375515
  N      -4.677582     -3.036349      5.386446
  N      -5.541903     -1.781760      5.084207
  H      -4.823078     -1.032368      5.076613
  H      -7.196663     -0.618492      5.277220
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.558990953789
  N      -3.453586     -3.269586      2.556319
  C      -2.921708     -3.884884      1.328937
  C      -2.527117     -5.321784      1.613322
  N      -3.574041     -5.985292      2.434270
  C      -4.762611     -6.379443      1.629331
  C      -5.973637     -6.513494      2.539900
  N      -6.040061     -5.339874      3.409433
  Mo     -4.320497     -4.433245      3.939355
  N      -3.328167     -5.727240      5.112924
  C      -2.362355     -6.626497      4.467830
  C      -3.006792     -7.138935      3.187554
  H      -2.125442     -7.478513      5.124051
  H      -1.409110     -6.112069      4.249374
  H      -3.835793     -7.807628      3.453758
  H      -2.298114     -7.698424      2.553041
  H      -6.883988     -6.591333      1.921007
  H      -5.915290     -7.442566      3.139176
  H      -4.947287     -5.578904      0.899782
  H      -4.564322     -7.313170      1.074868
  H      -2.034054     -3.333379      0.972547
  H      -3.672399     -3.821181      0.517496
  H      -1.602999     -5.328287      2.208021
  H      -2.341172     -5.886979      0.683641
  C      -3.615571     -1.865133      2.447400
  C      -2.516952     -0.995891      2.594428
  C      -2.683432      0.388243      2.575293
  C      -3.960913      0.901364      2.400458
  F      -4.127738      2.248223      2.425237
  C      -5.079915      0.075030      2.223313
  C      -6.452383      0.584767      2.132672
  O      -7.454440     -0.119911      2.062225
  C      -6.750194      2.093357      2.121777
  O      -6.881676      2.738899      1.111933
  C      -7.008300      2.648262      3.549080
  O      -6.807360      1.998102      4.534809
  Cl     -7.564498      4.324295      3.568440
  C      -4.880207     -1.316583      2.235709
  C      -7.237894     -5.103866      4.101855
  C      -8.276431     -6.008690      4.376768
  C      -9.289106     -5.645324      5.282712
  C      -9.258732     -4.426996      5.946562
  F     -10.190358     -4.177821      6.887431
  C      -8.252229     -3.482918      5.644023
  C      -7.953126     -2.234971      6.382183
  O      -8.646436     -1.817554      7.284381
  C      -6.666422     -1.310648      5.930082
  O      -4.096116     -2.997519      6.464542
  C      -6.329546     -0.345230      7.067903
  O      -7.115406      0.336607      7.643619
  Cl     -4.546434     -0.129804      7.413582
  C      -7.343668     -3.834158      4.657902
  C      -3.497197     -5.839672      6.500581
  C      -2.408597     -5.968296      7.389209
  C      -2.599646     -5.936436      8.768753
  C      -3.882348     -5.763912      9.270511
  F      -4.049156     -5.679162     10.612433
  C      -4.999237     -5.693274      8.424242
  C      -6.374241     -5.483988      8.891661
  O      -7.371319     -5.575972      8.182130
  C      -6.721073     -5.091048     10.333654
  O      -6.980756     -5.887204     11.201814
  C      -6.858222     -3.553578     10.494837
  O      -6.469420     -2.782024      9.667833
  Cl     -7.570815     -3.068494     12.043917
  C      -4.784105     -5.761149      7.040444
  H      -1.525257     -1.418919      2.764581
  H      -1.843620      1.068271      2.717243
  H      -5.749450     -1.963818      2.115544
  H      -8.286167     -7.012716      3.950348
  H     -10.082171     -6.351342      5.531151
  H      -6.646815     -3.048578      4.397182
  H      -1.393503     -6.041339      6.996024
  H      -1.759679     -6.009091      9.459830
  H      -5.651979     -5.692836      6.382160
  N      -4.698295     -3.037759      5.377296
  N      -5.566318     -1.790893      5.069438
  H      -4.849092     -1.041670      5.048819
  H      -7.220716     -0.619873      5.262159
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.559877107346
  N      -3.458502     -3.269575      2.560092
  C      -2.928480     -3.881672      1.330403
  C      -2.533325     -5.318976      1.611293
  N      -3.580789     -5.984662      2.429853
  C      -4.765783     -6.382372      1.621218
  C      -5.978847     -6.520458      2.528359
  N      -6.050628     -5.346503      3.396492
  Mo     -4.335462     -4.436354      3.933807
  N      -3.341943     -5.725520      5.110208
  C      -2.372619     -6.622044      4.466455
  C      -3.012876     -7.136621      3.185179
  H      -2.134115     -7.473225      5.123203
  H      -1.420527     -6.104704      4.249682
  H      -3.840936     -7.807131      3.449686
  H      -2.301402     -7.694843      2.552688
  H      -6.887627     -6.601697      1.907609
  H      -5.918454     -7.449017      3.128237
  H      -4.950780     -5.581956      0.891583
  H      -4.562622     -7.315106      1.066885
  H      -2.041678     -3.328806      0.974089
  H      -3.680392     -3.816728      0.520173
  H      -1.609572     -5.326507      2.206499
  H      -2.346739     -5.881983      0.680449
  C      -3.611778     -1.863653      2.458417
  C      -2.510616     -1.001399      2.626208
  C      -2.669472      0.383705      2.614425
  C      -3.941637      0.904994      2.425336
  F      -4.101714      2.252332      2.457467
  C      -5.062392      0.085786      2.226690
  C      -6.430599      0.603625      2.119668
  O      -7.435766     -0.095116      2.034853
  C      -6.720731      2.113347      2.106313
  O      -6.825124      2.762424      1.095556
  C      -7.009175      2.665076      3.528826
  O      -6.828465      2.013032      4.517266
  Cl     -7.564919      4.341451      3.540049
  C      -4.870395     -1.306957      2.232859
  C      -7.246652     -5.115229      4.093418
  C      -8.273072     -6.028589      4.384532
  C      -9.279721     -5.670637      5.298768
  C      -9.251838     -4.449349      5.956858
  F     -10.174129     -4.204636      6.907805
  C      -8.258898     -3.496445      5.637483
  C      -7.957695     -2.251185      6.379531
  O      -8.634124     -1.851113      7.302336
  C      -6.688116     -1.315210      5.910566
  O      -4.112910     -2.988333      6.453095
  C      -6.348034     -0.345091      7.045561
  O      -7.134691      0.329233      7.628722
  Cl     -4.563090     -0.106679      7.367946
  C      -7.359428     -3.840989      4.639432
  C      -3.506266     -5.834097      6.498686
  C      -2.413708     -5.961769      7.382701
  C      -2.598185     -5.927943      8.763063
  C      -3.878570     -5.754723      9.270192
  F      -4.039665     -5.668148     10.612866
  C      -4.999148     -5.684359      8.428904
  C      -6.371733     -5.475891      8.904059
  O      -7.372173     -5.562937      8.198836
  C      -6.709464     -5.092899     10.351147
  O      -6.974840     -5.895271     11.211843
  C      -6.829796     -3.555955     10.528815
  O      -6.437672     -2.779996      9.707615
  Cl     -7.530215     -3.079612     12.086373
  C      -4.790648     -5.753450      7.044162
  H      -1.523709     -1.431144      2.806940
  H      -1.828150      1.058190      2.772898
  H      -5.741330     -1.948799      2.097034
  H      -8.276482     -7.035179      3.963975
  H     -10.063414     -6.382686      5.559337
  H      -6.675076     -3.049539      4.359550
  H      -1.400451     -6.035875      6.985068
  H      -1.755009     -5.999876      9.450286
  H      -5.661556     -5.685368      6.389836
  N      -4.719194     -3.039542      5.367875
  N      -5.590155     -1.800434      5.053803
  H      -4.874982     -1.051303      5.020881
  H      -7.244345     -0.622676      5.245170
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.560723573956
  N      -3.463567     -3.269716      2.564184
  C      -2.934564     -3.878312      1.332450
  C      -2.539440     -5.316235      1.609658
  N      -3.587830     -5.984068      2.425371
  C      -4.769240     -6.384739      1.612767
  C      -5.984572     -6.526674      2.516228
  N      -6.061486     -5.352601      3.383251
  Mo     -4.350421     -4.439643      3.928448
  N      -3.356123     -5.724393      5.107595
  C      -2.383501     -6.618323      4.465096
  C      -3.019656     -7.134592      3.182643
  H      -2.143813     -7.468928      5.122187
  H      -1.432350     -6.098381      4.250228
  H      -3.846994     -7.806689      3.445322
  H      -2.305483     -7.691688      2.552208
  H      -6.891659     -6.610808      1.893399
  H      -5.922590     -7.454919      3.116438
  H      -4.954174     -5.584202      0.883212
  H      -4.561472     -7.316410      1.058389
  H      -2.048170     -3.324214      0.977121
  H      -3.687010     -3.811693      0.522828
  H      -1.616226     -5.325237      2.205636
  H      -2.352092     -5.876869      0.677568
  C      -3.608412     -1.862385      2.470176
  C      -2.505547     -1.006964      2.660293
  C      -2.657372      0.378975      2.656397
  C      -3.923917      0.908142      2.451954
  F      -4.077866      2.255796      2.491995
  C      -5.045563      0.095914      2.230264
  C      -6.409245      0.621578      2.105505
  O      -7.417007     -0.071429      2.004889
  C      -6.691927      2.132357      2.089688
  O      -6.769271      2.784578      1.078489
  C      -7.011537      2.681163      3.506414
  O      -6.852318      2.027226      4.497310
  Cl     -7.567194      4.357729      3.508815
  C      -4.860717     -1.297811      2.229760
  C      -7.255494     -5.125909      4.084988
  C      -8.269743     -6.047238      4.392618
  C      -9.269858     -5.693945      5.315292
  C      -9.243873     -4.469554      5.967354
  F     -10.156711     -4.228388      6.928033
  C      -8.264343     -3.508494      5.631158
  C      -7.960398     -2.265893      6.376828
  O      -8.618894     -1.882682      7.319684
  C      -6.707941     -1.319580      5.890893
  O      -4.128720     -2.978661      6.441558
  C      -6.364328     -0.343475      7.021900
  O      -7.151232      0.323150      7.613203
  Cl     -4.577706     -0.080323      7.318056
  C      -7.374762     -3.847278      4.621082
  C      -3.515352     -5.828580      6.497006
  C      -2.418693     -5.954895      7.376227
  C      -2.596456     -5.918733      8.757402
  C      -3.874539     -5.745220      9.269949
  F      -4.029924     -5.656874     10.613385
  C      -4.998922     -5.675891      8.433792
  C      -6.369168     -5.469688      8.916952
  O      -7.372978     -5.552405      8.216208
  C      -6.697666     -5.096889     10.369098
  O      -6.965791     -5.905565     11.223021
  C      -6.803406     -3.560924     10.562875
  O      -6.411197     -2.780261      9.746266
  Cl     -7.488437     -3.094166     12.130373
  C      -4.797164     -5.746127      7.048153
  H      -1.523665     -1.443178      2.852436
  H      -1.815245      1.048017      2.832649
  H      -5.732735     -1.934431      2.077357
  H      -8.267310     -7.056303      3.977909
  H     -10.044339     -6.411408      5.588155
  H      -6.702510     -3.051396      4.321339
  H      -1.407334     -6.029880      6.974032
  H      -1.750007     -5.989511      9.440700
  H      -5.671181     -5.678823      6.397860
  N      -4.738975     -3.041071      5.358358
  N      -5.612275     -1.809696      5.037701
  H      -4.899448     -1.060725      4.992593
  H      -7.266172     -0.625994      5.227428
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.561535232770
  N      -3.468511     -3.269938      2.569105
  C      -2.939553     -3.874531      1.335572
  C      -2.545193     -5.313354      1.608691
  N      -3.595060     -5.983387      2.420768
  C      -4.772717     -6.386187      1.603640
  C      -5.990673     -6.531969      2.502912
  N      -6.072637     -5.358191      3.369331
  Mo     -4.365451     -4.443259      3.923367
  N      -3.371045     -5.724319      5.104998
  C      -2.395402     -6.615829      4.463680
  C      -3.027330     -7.132975      3.179676
  H      -2.155170     -7.466266      5.120828
  H      -1.444868     -6.093695      4.251207
  H      -3.854295     -7.806404      3.440061
  H      -2.310503     -7.689005      2.551317
  H      -6.895836     -6.618347      1.877598
  H      -5.927684     -7.460241      3.102990
  H      -4.957047     -5.585130      0.874464
  H      -4.560521     -7.316621      1.048892
  H      -2.053022     -3.319337      0.982390
  H      -3.691712     -3.805564      0.525847
  H      -1.622786     -5.324462      2.205840
  H      -2.356858     -5.871252      0.675191
  C      -3.605304     -1.861303      2.483347
  C      -2.501877     -1.012450      2.697940
  C      -2.647522      0.374168      2.702411
  C      -3.908077      0.910748      2.480898
  F      -4.056775      2.258542      2.529206
  C      -5.029440      0.105203      2.234119
  C      -6.388310      0.638152      2.089752
  O      -7.397868     -0.049477      1.971094
  C      -6.664099      2.149851      2.072265
  O      -6.712664      2.805799      1.061669
  C      -7.017410      2.694750      3.482211
  O      -6.881966      2.038071      4.474855
  Cl     -7.571708      4.371889      3.476019
  C      -4.850930     -1.289307      2.226544
  C      -7.264650     -5.136089      4.075844
  C      -8.266820     -6.064871      4.399666
  C      -9.260224     -5.715630      5.330641
  C      -9.235720     -4.488152      5.976730
  F     -10.139332     -4.249848      6.946563
  C      -8.269225     -3.519558      5.624316
  C      -7.962051     -2.279702      6.373555
  O      -8.601949     -1.912931      7.335663
  C      -6.726492     -1.324309      5.871099
  O      -4.144394     -2.969395      6.430502
  C      -6.379227     -0.341365      6.997302
  O      -7.165804      0.317287      7.597512
  Cl     -4.591279     -0.052151      7.264736
  C      -7.390042     -3.853375      4.602389
  C      -3.524779     -5.823736      6.495400
  C      -2.423780     -5.948796      7.369437
  C      -2.594359     -5.910036      8.751432
  C      -3.869896     -5.735808      9.269757
  F      -4.019053     -5.645275     10.613962
  C      -4.998336     -5.667239      8.439125
  C      -6.365927     -5.462594      8.930759
  O      -7.373403     -5.540751      8.234965
  C      -6.684324     -5.100075     10.388021
  O      -6.956974     -5.914760     11.234777
  C      -6.773464     -3.565317     10.598083
  O      -6.380077     -2.780345      9.786271
  Cl     -7.443287     -3.107814     12.175071
  C      -4.803810     -5.738968      7.052561
  H      -1.525326     -1.454773      2.902774
  H      -1.805550      1.037981      2.898076
  H      -5.723196     -1.921015      2.056224
  H      -8.258944     -7.076230      3.990539
  H     -10.025799     -6.437923      5.615518
  H      -6.729376     -3.054386      4.282633
  H      -1.414503     -6.025014      6.962354
  H      -1.744454     -5.979736      9.430526
  H      -5.681087     -5.672276      6.406575
  N      -4.758176     -3.042971      5.349136
  N      -5.633028     -1.819179      5.021407
  H      -4.922712     -1.070441      4.964542
  H      -7.286564     -0.630152      5.208910
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.562312938470
  N      -3.473239     -3.270197      2.574807
  C      -2.943466     -3.870397      1.339708
  C      -2.550557     -5.310387      1.608409
  N      -3.602432     -5.982619      2.416127
  C      -4.776192     -6.386741      1.593953
  C      -5.997114     -6.536281      2.488557
  N      -6.083970     -5.363170      3.354849
  Mo     -4.380421     -4.447087      3.918587
  N      -3.386571     -5.725139      5.102512
  C      -2.408203     -6.614483      4.462325
  C      -3.035832     -7.131746      3.176429
  H      -2.168082     -7.465136      5.119279
  H      -1.457949     -6.090607      4.252696
  H      -3.862777     -7.806218      3.434119
  H      -2.316433     -7.686834      2.550178
  H      -6.900137     -6.624238      1.860377
  H      -5.933717     -7.464901      3.088070
  H      -4.959386     -5.584805      0.865411
  H      -4.559781     -7.315798      1.038557
  H      -2.056273     -3.314287      0.989724
  H      -3.694574     -3.798451      0.529224
  H      -1.629213     -5.324175      2.207101
  H      -2.361017     -5.865242      0.673370
  C      -3.602431     -1.860361      2.497735
  C      -2.499682     -1.017816      2.738775
  C      -2.639998      0.369337      2.751798
  C      -3.894110      0.912892      2.511465
  F      -4.038450      2.260649      2.568292
  C      -5.013956      0.113731      2.237834
  C      -6.367704      0.653422      2.072321
  O      -7.378188     -0.029206      1.933664
  C      -6.637226      2.165903      2.053964
  O      -6.656101      2.826026      1.045076
  C      -7.026332      2.705948      3.456043
  O      -6.916351      2.045844      4.449588
  Cl     -7.579418      4.383570      3.441497
  C      -4.840955     -1.281383      2.223031
  C      -7.273992     -5.145609      4.066092
  C      -8.264295     -6.081269      4.405738
  C      -9.250801     -5.735478      5.344888
  C      -9.227312     -4.504986      5.985135
  F     -10.121873     -4.268951      6.963639
  C      -8.273396     -3.529511      5.617148
  C      -7.962425     -2.292487      6.369905
  O      -8.583096     -1.941751      7.350512
  C      -6.743597     -1.329113      5.851322
  O      -4.159542     -2.960330      6.419842
  C      -6.392499     -0.338533      6.971874
  O      -7.178080      0.311929      7.581787
  Cl     -4.603742     -0.021941      7.207824
  C      -7.405063     -3.859110      4.583543
  C      -3.534528     -5.819386      6.493963
  C      -2.429079     -5.943336      7.362587
  C      -2.592228     -5.901823      8.745391
  C      -3.865074     -5.726577      9.269660
  F      -4.007799     -5.633925     10.614647
  C      -4.997665     -5.658471      8.444780
  C      -6.362391     -5.455129      8.945221
  O      -7.373673     -5.527906      8.254589
  C      -6.670032     -5.103222     10.407675
  O      -6.947357     -5.923814     11.247178
  C      -6.740834     -3.570012     10.634493
  O      -6.346178     -2.780900      9.827403
  Cl     -7.393472     -3.121909     12.221562
  C      -4.810637     -5.731850      7.057309
  H      -1.528832     -1.465892      2.957633
  H      -1.799202      1.028129      2.968351
  H      -5.712601     -1.908483      2.033626
  H      -8.251421     -7.094757      4.001943
  H     -10.007830     -6.462017      5.641463
  H      -6.755426     -3.058284      4.243862
  H      -1.422012     -6.021134      6.950446
  H      -1.738805     -5.970644      9.420138
  H      -5.691248     -5.665674      6.415795
  N      -4.776529     -3.044993      5.340214
  N      -5.652338     -1.828644      5.004965
  H      -4.944609     -1.080235      4.936626
  H      -7.305469     -0.634938      5.189824
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.563057108956
  N      -3.477812     -3.270571      2.581097
  C      -2.946359     -3.866082      1.344725
  C      -2.555454     -5.307410      1.608838
  N      -3.609832     -5.981812      2.411500
  C      -4.779469     -6.386589      1.583733
  C      -6.003699     -6.539844      2.473136
  N      -6.095409     -5.367741      3.339705
  Mo     -4.395386     -4.451117      3.913983
  N      -3.402721     -5.726734      5.100109
  C      -2.421881     -6.614188      4.461124
  C      -3.045041     -7.130897      3.173005
  H      -2.182530     -7.465383      5.117708
  H      -1.471577     -6.089005      4.254796
  H      -3.872300     -7.806153      3.427574
  H      -2.323102     -7.685153      2.548941
  H      -6.904339     -6.628809      1.841680
  H      -5.940458     -7.469101      3.071699
  H      -4.961028     -5.583489      0.856018
  H      -4.558938     -7.314153      1.027490
  H      -2.058035     -3.309212      0.998916
  H      -3.695668     -3.790652      0.532843
  H      -1.635448     -5.324301      2.209466
  H      -2.364419     -5.859002      0.672202
  C      -3.599862     -1.859672      2.512986
  C      -2.499037     -1.023252      2.782169
  C      -2.634789      0.364303      2.803887
  C      -3.881929      0.914505      2.543267
  F      -4.022734      2.262067      2.608778
  C      -4.999038      0.121528      2.241305
  C      -6.347295      0.667556      2.053577
  O      -7.357818     -0.010313      1.893044
  C      -6.611124      2.180718      2.035711
  O      -6.599674      2.845816      1.029967
  C      -7.037286      2.714646      3.429034
  O      -6.953717      2.050262      4.422322
  Cl     -7.589040      4.392757      3.407103
  C      -4.830804     -1.274036      2.219078
  C      -7.283558     -5.154758      4.055455
  C      -8.262241     -6.096831      4.410266
  C      -9.241845     -5.754059      5.357350
  C      -9.219081     -4.520692      5.992016
  F     -10.104889     -4.286548      6.978675
  C      -8.277273     -3.538865      5.609298
  C      -7.962120     -2.304763      6.365572
  O      -8.563194     -1.969763      7.363839
  C      -6.759884     -1.334224      5.831487
  O      -4.174580     -2.951490      6.409458
  C      -6.404988     -0.335394      6.945699
  O      -7.188968      0.306531      7.566128
  Cl     -4.616207      0.010018      7.147478
  C      -7.420024     -3.864825      4.564329
  C      -3.544631     -5.815329      6.492643
  C      -2.434627     -5.938518      7.355603
  C      -2.590043     -5.894050      8.739201
  C      -3.859979     -5.717108      9.269623
  F      -3.995960     -5.622187     10.615392
  C      -4.996809     -5.648723      8.450744
  C      -6.358345     -5.445582      8.960290
  O      -7.373577     -5.511394      8.274991
  C      -6.654500     -5.105537     10.428213
  O      -6.938306     -5.932273     11.259477
  C      -6.704149     -3.574429     10.673337
  O      -6.306701     -2.781033      9.871897
  Cl     -7.339310     -3.136637     12.270541
  C      -4.817615     -5.724113      7.062391
  H      -1.534329     -1.476818      3.016256
  H      -1.796181      1.018205      3.042588
  H      -5.700999     -1.896736      2.009563
  H      -8.244691     -7.112263      4.011474
  H      -9.990701     -6.484360      5.665124
  H      -6.780858     -3.063269      4.205165
  H      -1.429935     -6.018542      6.938210
  H      -1.733035     -5.962401      9.409426
  H      -5.701631     -5.658067      6.425553
  N      -4.794394     -3.047154      5.331456
  N      -5.670740     -1.838187      4.988322
  H      -4.965693     -1.090096      4.908887
  H      -7.323575     -0.640573      5.170115
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.563770457361
  N      -3.482453     -3.271196      2.587624
  C      -2.948568     -3.861856      1.350287
  C      -2.560013     -5.304598      1.609832
  N      -3.617289     -5.981115      2.406884
  C      -4.782547     -6.386090      1.573050
  C      -6.010373     -6.543024      2.456776
  N      -6.106965     -5.372178      3.323888
  Mo     -4.410454     -4.455372      3.909367
  N      -3.419430     -5.728872      5.097753
  C      -2.436313     -6.614703      4.460104
  C      -3.054850     -7.130425      3.169533
  H      -2.198268     -7.466652      5.116239
  H      -1.485697     -6.088577      4.257413
  H      -3.882680     -7.806247      3.420684
  H      -2.330384     -7.683983      2.547777
  H      -6.908401     -6.632594      1.821690
  H      -5.947736     -7.473127      3.054115
  H      -4.962081     -5.581639      0.846274
  H      -4.557910     -7.312085      1.015859
  H      -2.058757     -3.304351      1.009430
  H      -3.695434     -3.782643      0.536461
  H      -1.641597     -5.324805      2.212749
  H      -2.367166     -5.852840      0.671629
  C      -3.597695     -1.859370      2.528658
  C      -2.499943     -1.029126      2.827513
  C      -2.631709      0.358701      2.858440
  C      -3.871251      0.915483      2.576510
  F      -4.009184      2.262691      2.651206
  C      -4.984459      0.128770      2.244707
  C      -6.326742      0.681048      2.034111
  O      -7.336479      0.007968      1.849828
  C      -6.585214      2.194861      2.018572
  O      -6.543491      2.865927      1.017584
  C      -7.048637      2.721243      3.402551
  O      -6.991707      2.051581      4.394184
  Cl     -7.599090      4.399817      3.374836
  C      -4.820465     -1.267127      2.214547
  C      -7.293354     -5.163888      4.043940
  C      -8.260571     -6.112026      4.413355
  C      -9.233279     -5.771960      5.368160
  C      -9.211094     -4.535828      5.997447
  F     -10.088384     -4.303331      6.991850
  C      -8.281054     -3.548056      5.600719
  C      -7.961403     -2.316916      6.360466
  O      -8.542497     -1.997458      7.375640
  C      -6.775854     -1.339754      5.811333
  O      -4.189568     -2.942539      6.398942
  C      -6.417299     -0.332036      6.918491
  O      -7.199078      0.300810      7.550380
  Cl     -4.629554      0.043964      7.083266
  C      -7.435080     -3.870837      4.544670
  C      -3.554963     -5.811186      6.491404
  C      -2.440294     -5.933829      7.348461
  C      -2.587669     -5.886023      8.732833
  C      -3.854490     -5.706756      9.269591
  F      -3.983467     -5.609390     10.616138
  C      -4.995643     -5.637637      8.456954
  C      -6.353709     -5.433952      8.975887
  O      -7.372985     -5.491418      8.296100
  C      -6.637745     -5.106612     10.449404
  O      -6.928267     -5.939589     11.272060
  C      -6.664858     -3.578227     10.713668
  O      -6.264476     -2.780391      9.918161
  Cl     -7.281047     -3.151685     12.321502
  C      -4.824611     -5.715459      7.067766
  H      -1.541933     -1.488145      3.077822
  H      -1.796245      1.007638      3.120538
  H      -5.688475     -1.885397      1.983895
  H      -8.238544     -7.129252      4.019313
  H      -9.974236     -6.505655      5.686707
  H      -6.805911     -3.069511      4.166555
  H      -1.438138     -6.016677      6.925644
  H      -1.727007     -5.954156      9.398371
  H      -5.712118     -5.649301      6.435818
  N      -4.811968     -3.049298      5.322559
  N      -5.688747     -1.847845      4.971158
  H      -4.986597     -1.099952      4.880849
  H      -7.341575     -0.647285      5.149562
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.564987822104
  N      -3.491117     -3.276650      2.594393
  C      -2.949395     -3.859359      1.358784
  C      -2.566421     -5.303695      1.613374
  N      -3.627991     -5.983712      2.400252
  C      -4.786710     -6.387863      1.558934
  C      -6.018895     -6.549515      2.434669
  N      -6.121203     -5.380796      3.301190
  Mo     -4.429286     -4.466374      3.900852
  N      -3.439827     -5.736223      5.090924
  C      -2.453479     -6.617542      4.455400
  C      -3.067736     -7.132421      3.163152
  H      -2.216149     -7.470479      5.110604
  H      -1.503201     -6.089253      4.256609
  H      -3.895624     -7.809252      3.411238
  H      -2.340294     -7.684665      2.543676
  H      -6.913122     -6.639062      1.794267
  H      -5.957987     -7.480869      3.030249
  H      -4.963186     -5.581302      0.833672
  H      -4.557164     -7.311805      1.000378
  H      -2.055654     -3.301556      1.029075
  H      -3.689160     -3.774241      0.539018
  H      -1.651559     -5.328380      2.221447
  H      -2.368947     -5.847593      0.673663
  C      -3.601010     -1.863894      2.550130
  C      -2.508695     -1.042499      2.890021
  C      -2.636844      0.345259      2.939480
  C      -3.866417      0.911224      2.633806
  F      -4.001649      2.257403      2.725869
  C      -4.973217      0.133791      2.260399
  C      -6.307020      0.695328      2.021369
  O      -7.313549      0.029558      1.796342
  C      -6.559586      2.209970      2.019830
  O      -6.480790      2.893983      1.029747
  C      -7.070563      2.719488      3.392587
  O      -7.055713      2.035315      4.375405
  Cl     -7.614624      4.400633      3.367276
  C      -4.813535     -1.262377      2.213908
  C      -7.305574     -5.176248      4.023792
  C      -8.257168     -6.132684      4.409899
  C      -9.219501     -5.793259      5.375455
  C      -9.194304     -4.552844      5.998992
  F     -10.059893     -4.320905      7.003313
  C      -8.276535     -3.558897      5.586534
  C      -7.952588     -2.332196      6.350649
  O      -8.517903     -2.029105      7.379530
  C      -6.783767     -1.353198      5.791648
  O      -4.202459     -2.942990      6.385740
  C      -6.417628     -0.333770      6.890325
  O      -7.192084      0.287594      7.541340
  Cl     -4.632149      0.081392      6.998938
  C      -7.452649     -3.881870      4.515471
  C      -3.568325     -5.809390      6.485959
  C      -2.448271     -5.925614      7.336787
  C      -2.586423     -5.868346      8.721721
  C      -3.849693     -5.685286      9.264609
  F      -3.970775     -5.577269     10.611593
  C      -4.995965     -5.621137      8.459209
  C      -6.349193     -5.411956      8.989292
  O      -7.374168     -5.466330      8.318172
  C      -6.614552     -5.080196     10.465955
  O      -6.904150     -5.910553     11.291532
  C      -6.622332     -3.551989     10.731559
  O      -6.227584     -2.757757      9.930008
  Cl     -7.215428     -3.120034     12.346785
  C      -4.834529     -5.708965      7.069318
  H      -1.559558     -1.509142      3.159152
  H      -1.806602      0.986860      3.234179
  H      -5.677991     -1.874273      1.954561
  H      -8.230313     -7.151931      4.021411
  H      -9.951916     -6.529245      5.708087
  H      -6.831243     -3.086112      4.117444
  H      -1.448816     -6.010062      6.908089
  H      -1.721447     -5.931066      9.382170
  H      -5.725974     -5.645098      6.442759
  N      -4.826296     -3.059677      5.310400
  N      -5.698280     -1.860599      4.950551
  H      -5.002579     -1.115171      4.854931
  H      -7.351297     -0.664611      5.126200
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.566110473249
  N      -3.504811     -3.283529      2.599994
  C      -2.952259     -3.857845      1.367566
  C      -2.573951     -5.303067      1.618804
  N      -3.639642     -5.987534      2.394810
  C      -4.790401     -6.391990      1.545150
  C      -6.027575     -6.557821      2.411772
  N      -6.136393     -5.390482      3.276754
  Mo     -4.450274     -4.478688      3.891863
  N      -3.460100     -5.742410      5.083941
  C      -2.469662     -6.618769      4.451417
  C      -3.079943     -7.134729      3.158238
  H      -2.231908     -7.472139      5.106169
  H      -1.520083     -6.087980      4.255638
  H      -3.906892     -7.813239      3.404751
  H      -2.349275     -7.685550      2.541047
  H      -6.917120     -6.647996      1.764822
  H      -5.969140     -7.490356      3.005921
  H      -4.963599     -5.583894      0.820663
  H      -4.555203     -7.314234      0.985917
  H      -2.053995     -3.299703      1.050791
  H      -3.682681     -3.767559      0.539711
  H      -1.663351     -5.330381      2.233075
  H      -2.369707     -5.843388      0.678406
  C      -3.611715     -1.870048      2.570529
  C      -2.526110     -1.059186      2.954146
  C      -2.650405      0.328205      3.023866
  C      -3.868131      0.904706      2.692450
  F      -4.000919      2.249443      2.803754
  C      -4.966654      0.138422      2.273361
  C      -6.289694      0.711195      2.002845
  O      -7.292014      0.054528      1.735322
  C      -6.536547      2.226550      2.023684
  O      -6.424582      2.926230      1.047503
  C      -7.088292      2.716366      3.386845
  O      -7.099547      2.019933      4.360418
  Cl     -7.597181      4.409266      3.377430
  C      -4.812036     -1.257912      2.209978
  C      -7.320198     -5.188237      3.999034
  C      -8.254097     -6.154596      4.403055
  C      -9.204367     -5.814459      5.380662
  C      -9.174856     -4.569920      5.998827
  F     -10.027195     -4.340531      7.014521
  C      -8.268445     -3.569385      5.571674
  C      -7.941673     -2.346731      6.339621
  O      -8.499936     -2.056118      7.376253
  C      -6.788266     -1.370685      5.776235
  O      -4.214730     -2.946953      6.373926
  C      -6.412417     -0.338757      6.864837
  O      -7.174376      0.268710      7.541733
  Cl     -4.629824      0.111976      6.912146
  C      -7.472824     -3.893819      4.482657
  C      -3.581688     -5.804897      6.480475
  C      -2.455643     -5.908684      7.324601
  C      -2.584028     -5.838300      8.709767
  C      -3.844261     -5.655066      9.258617
  F      -3.956581     -5.533049     10.605683
  C      -4.996583     -5.603749      8.460941
  C      -6.345945     -5.392047      9.001088
  O      -7.376367     -5.457231      8.339884
  C      -6.594611     -5.052534     10.479565
  O      -6.883018     -5.878612     11.309846
  C      -6.593271     -3.523588     10.740334
  O      -6.188530     -2.735048      9.938441
  Cl     -7.149176     -3.086549     12.367505
  C      -4.844812     -5.704598      7.070639
  H      -1.587309     -1.534750      3.242953
  H      -1.826713      0.961099      3.353678
  H      -5.671759     -1.861849      1.918156
  H      -8.221478     -7.176137      4.021685
  H      -9.927641     -6.552000      5.729325
  H      -6.853046     -3.107358      4.068896
  H      -1.458852     -5.992392      6.889628
  H      -1.714282     -5.890558      9.364828
  H      -5.740610     -5.648510      6.449642
  N      -4.838155     -3.072241      5.298607
  N      -5.703376     -1.872778      4.929415
  H      -5.013779     -1.126066      4.833765
  H      -7.358709     -0.690767      5.103552
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.566722999502
  N      -3.516801     -3.289528      2.604332
  C      -2.956555     -3.857516      1.373554
  C      -2.582084     -5.303954      1.621800
  N      -3.651619     -5.991231      2.389915
  C      -4.796081     -6.395369      1.532701
  C      -6.038133     -6.562516      2.391486
  N      -6.151123     -5.395485      3.255473
  Mo     -4.469077     -4.487803      3.885002
  N      -3.477751     -5.746877      5.078566
  C      -2.485129     -6.621317      4.448078
  C      -3.093035     -7.138008      3.154051
  H      -2.247667     -7.475190      5.102536
  H      -1.535337     -6.090075      4.254206
  H      -3.919827     -7.816951      3.399895
  H      -2.360644     -7.688740      2.538614
  H      -6.923631     -6.652525      1.738819
  H      -5.983150     -7.496041      2.984586
  H      -4.965520     -5.586176      0.808430
  H      -4.557019     -7.316618      0.973234
  H      -2.054353     -3.299990      1.066640
  H      -3.679491     -3.762300      0.539414
  H      -1.674521     -5.333646      2.240401
  H      -2.373059     -5.841738      0.680904
  C      -3.619225     -1.875301      2.587500
  C      -2.539490     -1.076661      3.011166
  C      -2.658203      0.310281      3.098862
  C      -3.863530      0.898281      2.743952
  F      -3.992971      2.241560      2.872896
  C      -4.954241      0.144340      2.283291
  C      -6.266076      0.728970      1.986611
  O      -7.263064      0.083200      1.675822
  C      -6.506700      2.244431      2.030474
  O      -6.358832      2.961386      1.071381
  C      -7.093244      2.713237      3.385961
  O      -7.178100      1.986704      4.333663
  Cl     -7.642717      4.393987      3.376504
  C      -4.806093     -1.251772      2.203832
  C      -7.334649     -5.194000      3.977806
  C      -8.252759     -6.168306      4.400378
  C      -9.190184     -5.826763      5.390016
  C      -9.155863     -4.579242      6.003179
  F      -9.994826     -4.353114      7.030350
  C      -8.259604     -3.573329      5.561937
  C      -7.928026     -2.353265      6.331636
  O      -8.480332     -2.070898      7.374594
  C      -6.787703     -1.382121      5.762504
  O      -4.223441     -2.946946      6.364737
  C      -6.401478     -0.337772      6.838387
  O      -7.149493      0.259820      7.537802
  Cl     -4.623684      0.146391      6.824196
  C      -7.490967     -3.898624      4.454776
  C      -3.591461     -5.799870      6.476597
  C      -2.458804     -5.892539      7.312799
  C      -2.576390     -5.812083      8.698285
  C      -3.833386     -5.631530      9.254678
  F      -3.935956     -5.500350     10.602029
  C      -4.992294     -5.592285      8.465834
  C      -6.338137     -5.384317      9.017083
  O      -7.373418     -5.454511      8.364769
  C      -6.572183     -5.038741     10.497177
  O      -6.848210     -5.862736     11.333651
  C      -6.553535     -3.509859     10.757418
  O      -6.194506     -2.721380      9.934090
  Cl     -7.146662     -3.061476     12.368571
  C      -4.850941     -5.701660      7.074865
  H      -1.611826     -1.562402      3.318199
  H      -1.840598      0.933507      3.460659
  H      -5.661571     -1.846422      1.881868
  H      -8.215767     -7.192193      4.026479
  H      -9.904780     -6.565025      5.754604
  H      -6.868948     -3.121703      4.028309
  H      -1.465119     -5.975184      6.870547
  H      -1.701462     -5.855388      9.347034
  H      -5.751704     -5.653935      6.460452
  N      -4.846270     -3.080412      5.289491
  N      -5.704577     -1.881759      4.909022
  H      -5.018036     -1.131201      4.812690
  H      -7.361574     -0.712776      5.081996
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.567695048951
  N      -3.525457     -3.291350      2.611968
  C      -2.959181     -3.852909      1.380320
  C      -2.586302     -5.301363      1.622719
  N      -3.660156     -5.991985      2.383243
  C      -4.798673     -6.395459      1.516668
  C      -6.046403     -6.565975      2.367299
  N      -6.165379     -5.400475      3.233485
  Mo     -4.487769     -4.494496      3.880327
  N      -3.497062     -5.752096      5.075557
  C      -2.502333     -6.626383      4.446163
  C      -3.104834     -7.140544      3.148160
  H      -2.267424     -7.481775      5.099585
  H      -1.551366     -6.095462      4.256988
  H      -3.932942     -7.819474      3.389694
  H      -2.370246     -7.690822      2.535037
  H      -6.927957     -6.655773      1.709325
  H      -5.993632     -7.500998      2.958236
  H      -4.964319     -5.584437      0.793548
  H      -4.554750     -7.314711      0.956117
  H      -2.054648     -3.294624      1.081638
  H      -3.676873     -3.752385      0.542310
  H      -1.681085     -5.334505      2.244535
  H      -2.373727     -5.834881      0.680239
  C      -3.620543     -1.876513      2.607034
  C      -2.551131     -1.087478      3.072931
  C      -2.667300      0.298771      3.174580
  C      -3.859434      0.895646      2.791270
  F      -3.989163      2.237226      2.935305
  C      -4.938021      0.151647      2.287674
  C      -6.239481      0.743940      1.962544
  O      -7.226207      0.106263      1.605624
  C      -6.478396      2.258646      2.024702
  O      -6.304753      2.990204      1.080968
  C      -7.113381      2.703493      3.366364
  O      -7.208325      1.968275      4.306687
  Cl     -7.630097      4.394675      3.378156
  C      -4.792482     -1.243715      2.194714
  C      -7.348562     -5.204940      3.959032
  C      -8.251541     -6.185597      4.401849
  C      -9.178149     -5.848668      5.401956
  C      -9.144984     -4.600296      6.010493
  F      -9.972068     -4.379631      7.048346
  C      -8.263055     -3.587963      5.555185
  C      -7.926365     -2.370966      6.328984
  O      -8.465580     -2.099942      7.382557
  C      -6.801788     -1.395839      5.749426
  O      -4.241509     -2.944334      6.357541
  C      -6.412696     -0.341270      6.814321
  O      -7.153782      0.240227      7.533619
  Cl     -4.647729      0.192405      6.742598
  C      -7.511046     -3.905807      4.430868
  C      -3.602543     -5.796653      6.474831
  C      -2.464262     -5.882564      7.304132
  C      -2.572917     -5.794150      8.689938
  C      -3.826923     -5.612662      9.252914
  F      -3.921510     -5.473335     10.600230
  C      -4.990779     -5.580305      8.471264
  C      -6.333625     -5.372860      9.030273
  O      -7.372182     -5.440526      8.383211
  C      -6.556187     -5.017541     10.510034
  O      -6.840878     -5.834556     11.350352
  C      -6.518836     -3.487810     10.763603
  O      -6.133007     -2.708721      9.943252
  Cl     -7.059822     -3.029141     12.390420
  C      -4.858204     -5.697151      7.080279
  H      -1.635610     -1.581216      3.402649
  H      -1.859227      0.914092      3.569718
  H      -5.640792     -1.830816      1.841331
  H      -8.208609     -7.211586      4.034439
  H      -9.881614     -6.590996      5.779760
  H      -6.892497     -3.131826      3.989538
  H      -1.473393     -5.966120      6.855833
  H      -1.693805     -5.831957      9.333316
  H      -5.763051     -5.654233      6.471548
  N      -4.864927     -3.086292      5.282939
  N      -5.721467     -1.895288      4.893310
  H      -5.037278     -1.140098      4.792468
  H      -7.381186     -0.734615      5.065974
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.568397461126
  N      -3.535085     -3.292291      2.618813
  C      -2.965018     -3.848746      1.385775
  C      -2.593227     -5.299075      1.622625
  N      -3.670827     -5.991832      2.377092
  C      -4.804301     -6.394076      1.502098
  C      -6.057487     -6.566386      2.345126
  N      -6.181127     -5.402137      3.213495
  Mo     -4.506802     -4.498825      3.877532
  N      -3.515582     -5.756075      5.073330
  C      -2.520767     -6.631722      4.443964
  C      -3.119576     -7.142529      3.142622
  H      -2.289095     -7.488691      5.096416
  H      -1.568233     -6.102255      4.258482
  H      -3.949868     -7.820193      3.380406
  H      -2.384116     -7.693330      2.531254
  H      -6.935512     -6.655131      1.682516
  H      -6.007479     -7.502572      2.934376
  H      -4.965615     -5.581503      0.779770
  H      -4.556577     -7.311839      0.941049
  H      -2.058777     -3.289957      1.093397
  H      -3.679140     -3.743470      0.545504
  H      -1.689555     -5.335727      2.246419
  H      -2.378868     -5.828838      0.678577
  C      -3.621304     -1.876877      2.624130
  C      -2.565684     -1.098046      3.136352
  C      -2.679367      0.287473      3.249832
  C      -3.854666      0.894041      2.831351
  F      -3.984811      2.234083      2.987796
  C      -4.917183      0.160976      2.279909
  C      -6.204351      0.762551      1.916669
  O      -7.179931      0.133981      1.515974
  C      -6.446344      2.275317      2.009626
  O      -6.235828      3.032542      1.094188
  C      -7.117007      2.686452      3.344901
  O      -7.241522      1.926279      4.261812
  Cl     -7.615357      4.382225      3.393259
  C      -4.774739     -1.233999      2.176940
  C      -7.363361     -5.213174      3.943369
  C      -8.250646     -6.200245      4.404049
  C      -9.166129     -5.869560      5.415009
  C      -9.134983     -4.619964      6.019957
  F      -9.950912     -4.404431      7.067625
  C      -8.267826     -3.601573      5.551185
  C      -7.926393     -2.385775      6.326918
  O      -8.451889     -2.124146      7.390313
  C      -6.815157     -1.406089      5.736723
  O      -4.260701     -2.936397      6.351624
  C      -6.422022     -0.343514      6.789709
  O      -7.150940      0.217450      7.536638
  Cl     -4.669165      0.229756      6.663383
  C      -7.532106     -3.910933      4.411119
  C      -3.609616     -5.791213      6.473935
  C      -2.464202     -5.868478      7.294346
  C      -2.561686     -5.770501      8.680409
  C      -3.811842     -5.589078      9.252181
  F      -3.896349     -5.441072     10.599309
  C      -4.981905     -5.565912      8.479815
  C      -6.321184     -5.360587      9.048103
  O      -7.365386     -5.452886      8.413411
  C      -6.532510     -5.004853     10.529342
  O      -6.816191     -5.820810     11.371072
  C      -6.501869     -3.474400     10.779754
  O      -6.111590     -2.695985      9.960777
  Cl     -7.009997     -3.018601     12.417954
  C      -4.860346     -5.691668      7.088777
  H      -1.665221     -1.600280      3.493443
  H      -1.883703      0.894320      3.681435
  H      -5.613408     -1.812772      1.788414
  H      -8.202107     -7.227563      4.040544
  H      -9.858495     -6.616336      5.804561
  H      -6.917052     -3.139631      3.957759
  H      -1.476879     -5.952536      6.838422
  H      -1.677277     -5.801222      9.316842
  H      -5.770390     -5.655491      6.487359
  N      -4.884024     -3.088199      5.277599
  N      -5.738901     -1.906603      4.876833
  H      -5.057761     -1.146863      4.772404
  H      -7.402368     -0.755329      5.050242
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.568923708008
  N      -3.544940     -3.292505      2.626769
  C      -2.973702     -3.844501      1.391316
  C      -2.601971     -5.296389      1.622507
  N      -3.682249     -5.990721      2.372474
  C      -4.811582     -6.391488      1.490175
  C      -6.069770     -6.564580      2.326275
  N      -6.197121     -5.401366      3.196821
  Mo     -4.525089     -4.501382      3.878076
  N      -3.532194     -5.759573      5.072964
  C      -2.538512     -6.637098      4.442420
  C      -3.135039     -7.143720      3.138212
  H      -2.310352     -7.495834      5.093695
  H      -1.584294     -6.109546      4.259923
  H      -3.967890     -7.819514      3.372666
  H      -2.399604     -7.695444      2.527899
  H      -6.944713     -6.651673      1.659656
  H      -6.022736     -7.501681      2.914222
  H      -4.968484     -5.577618      0.768396
  H      -4.560865     -7.308166      0.929002
  H      -2.066564     -3.285069      1.103260
  H      -3.686262     -3.735043      0.550530
  H      -1.698924     -5.336307      2.246926
  H      -2.387429     -5.822595      0.676673
  C      -3.620701     -1.876539      2.641322
  C      -2.580760     -1.109781      3.201372
  C      -2.690939      0.274950      3.326429
  C      -3.846893      0.893124      2.872275
  F      -3.976614      2.231400      3.042706
  C      -4.891905      0.172985      2.272514
  C      -6.164020      0.784415      1.872355
  O      -7.121190      0.166879      1.414458
  C      -6.410003      2.294958      1.993739
  O      -6.182017      3.073450      1.100872
  C      -7.134954      2.669406      3.311785
  O      -7.263331      1.894373      4.215574
  Cl     -7.607454      4.370442      3.397851
  C      -4.752813     -1.221512      2.158315
  C      -7.378025     -5.219777      3.932055
  C      -8.249264     -6.213630      4.407798
  C      -9.153950     -5.890421      5.429640
  C      -9.126103     -4.639079      6.031906
  F      -9.931023     -4.428783      7.089110
  C      -8.274219     -3.614695      5.550199
  C      -7.929328     -2.397703      6.324907
  O      -8.442123     -2.142082      7.396180
  C      -6.828688     -1.412858      5.723789
  O      -4.281925     -2.923644      6.349159
  C      -6.432112     -0.343434      6.763741
  O      -7.146561      0.199036      7.537308
  Cl     -4.694780      0.271913      6.578226
  C      -7.553458     -3.915514      4.396753
  C      -3.613555     -5.786293      6.474691
  C      -2.460936     -5.854077      7.285938
  C      -2.547820     -5.749874      8.672340
  C      -3.794545     -5.573398      9.253591
  F      -3.869453     -5.421245     10.600745
  C      -4.970665     -5.560601      8.490579
  C      -6.307507     -5.366179      9.068106
  O      -7.355305     -5.467140      8.440750
  C      -6.510821     -5.000861     10.548190
  O      -6.784078     -5.811541     11.398375
  C      -6.466507     -3.469420     10.790989
  O      -6.100030     -2.695322      9.956976
  Cl     -6.974796     -2.999548     12.425196
  C      -4.859386     -5.690311      7.099173
  H      -1.697660     -1.621864      3.586611
  H      -1.909157      0.871820      3.795526
  H      -5.581003     -1.790519      1.734346
  H      -8.194966     -7.241587      4.046234
  H      -9.834957     -6.642142      5.829736
  H      -6.941893     -3.145940      3.934749
  H      -1.477022     -5.936542      6.822419
  H      -1.658229     -5.773524      9.301809
  H      -5.774644     -5.662726      6.505160
  N      -4.903396     -3.086968      5.274910
  N      -5.756803     -1.916343      4.859652
  H      -5.078781     -1.151626      4.752455
  H      -7.425865     -0.775640      5.033603
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.569426643878
  N      -3.550637     -3.293463      2.634921
  C      -2.980289     -3.841997      1.397035
  C      -2.609948     -5.295268      1.623310
  N      -3.693186     -5.989661      2.368773
  C      -4.818754     -6.387460      1.479851
  C      -6.081554     -6.560024      2.308877
  N      -6.211463     -5.397879      3.180968
  Mo     -4.540654     -4.502886      3.879361
  N      -3.547788     -5.763643      5.072698
  C      -2.556560     -6.643872      4.441204
  C      -3.151739     -7.145345      3.134621
  H      -2.333340     -7.504666      5.091452
  H      -1.600034     -6.119343      4.261653
  H      -3.988046     -7.818153      3.365608
  H      -2.416889     -7.698988      2.525414
  H      -6.953557     -6.644310      1.638222
  H      -6.038508     -7.497999      2.895723
  H      -4.970380     -5.572176      0.758587
  H      -4.566122     -7.303549      0.918735
  H      -2.072280     -3.282547      1.112157
  H      -3.692391     -3.728677      0.556553
  H      -1.707574     -5.339051      2.248378
  H      -2.395952     -5.818379      0.675709
  C      -3.615123     -1.877176      2.658478
  C      -2.591853     -1.123797      3.265043
  C      -2.697556      0.260089      3.400135
  C      -3.833413      0.890284      2.913116
  F      -3.962416      2.226646      3.097613
  C      -4.861183      0.183422      2.269364
  C      -6.119274      0.804493      1.839993
  O      -7.054523      0.200536      1.322965
  C      -6.370506      2.311507      1.992814
  O      -6.124387      3.114981      1.127655
  C      -7.139753      2.644541      3.297846
  O      -7.326132      1.832673      4.158940
  Cl     -7.675481      4.325619      3.394388
  C      -4.724791     -1.209954      2.141536
  C      -7.390487     -5.223817      3.921931
  C      -8.247076     -6.224196      4.408911
  C      -9.142879     -5.908333      5.440153
  C      -9.118625     -4.654947      6.040431
  F      -9.912772     -4.449133      7.106547
  C      -8.281093     -3.624983      5.547310
  C      -7.933309     -2.406987      6.320878
  O      -8.433104     -2.157082      7.399324
  C      -6.841384     -1.415632      5.709896
  O      -4.303408     -2.908829      6.347235
  C      -6.442370     -0.342424      6.740140
  O      -7.142679      0.183245      7.537309
  Cl     -4.724284      0.317652      6.498449
  C      -7.572444     -3.918806      4.384234
  C      -3.617687     -5.781661      6.475199
  C      -2.459503     -5.842029      7.279054
  C      -2.538841     -5.733124      8.665695
  C      -3.783007     -5.560284      9.254293
  F      -3.850703     -5.405056     10.601349
  C      -4.963559     -5.554766      8.498228
  C      -6.299383     -5.370808      9.081393
  O      -7.348113     -5.462832      8.454069
  C      -6.498693     -4.989860     10.558190
  O      -6.778926     -5.789588     11.416275
  C      -6.432490     -3.456972     10.787594
  O      -6.036841     -2.697904      9.952823
  Cl     -6.887461     -2.970702     12.432727
  C      -4.859559     -5.686899      7.106800
  H      -1.727118     -1.646267      3.676961
  H      -1.930110      0.846500      3.904651
  H      -5.542306     -1.769115      1.684885
  H      -8.187361     -7.252087      4.047691
  H      -9.813304     -6.664908      5.848860
  H      -6.965686     -3.149468      3.915501
  H      -1.478203     -5.924272      6.809974
  H      -1.645508     -5.751884      9.290030
  H      -5.778570     -5.666198      6.518216
  N      -4.921621     -3.083819      5.271889
  N      -5.773653     -1.923467      4.841723
  H      -5.098356     -1.155151      4.732183
  H      -7.448704     -0.790989      5.017350
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.569895535481
  N      -3.559589     -3.293882      2.637137
  C      -2.991873     -3.840596      1.397634
  C      -2.620878     -5.293370      1.622326
  N      -3.704812     -5.987961      2.364991
  C      -4.826817     -6.385724      1.472412
  C      -6.091578     -6.559182      2.296654
  N      -6.224977     -5.397102      3.167170
  Mo     -4.555986     -4.502709      3.877296
  N      -3.560839     -5.761819      5.069779
  C      -2.571370     -6.643430      4.438193
  C      -3.166641     -7.143672      3.131939
  H      -2.350664     -7.504626      5.088888
  H      -1.613822     -6.120461      4.259039
  H      -4.004688     -7.814582      3.362190
  H      -2.432053     -7.699260      2.523979
  H      -6.961609     -6.643617      1.623371
  H      -6.049607     -7.497045      2.883882
  H      -4.976041     -5.570400      0.750683
  H      -4.571536     -7.301816      0.912373
  H      -2.084688     -3.280005      1.112738
  H      -3.705529     -3.727397      0.558420
  H      -1.718906     -5.337924      2.247899
  H      -2.406846     -5.815080      0.673875
  C      -3.614901     -1.877465      2.665003
  C      -2.608537     -1.133185      3.309817
  C      -2.708868      0.251334      3.443854
  C      -3.823983      0.891162      2.922409
  F      -3.949515      2.227743      3.107300
  C      -4.836163      0.193468      2.245092
  C      -6.079727      0.823083      1.784657
  O      -7.002631      0.226183      1.238805
  C      -6.342077      2.326117      1.966292
  O      -6.069368      3.153761      1.132749
  C      -7.103787      2.633652      3.282579
  O      -7.303415      1.799996      4.118743
  Cl     -7.603951      4.321377      3.433979
  C      -4.702627     -1.200089      2.114203
  C      -7.400291     -5.233262      3.916395
  C      -8.240458     -6.241500      4.415231
  C      -9.129185     -5.932991      5.454517
  C      -9.110177     -4.677596      6.051517
  F      -9.893003     -4.476405      7.126529
  C      -8.289013     -3.640509      5.546652
  C      -7.939040     -2.424446      6.322275
  O      -8.421581     -2.186197      7.410520
  C      -6.861548     -1.421493      5.701278
  O      -4.325121     -2.892499      6.338299
  C      -6.460490     -0.348655      6.729372
  O      -7.145474      0.152044      7.554828
  Cl     -4.764221      0.357491      6.442844
  C      -7.591490     -3.928442      4.375216
  C      -3.617778     -5.767143      6.473101
  C      -2.453434     -5.817344      7.268775
  C      -2.523441     -5.701461      8.655348
  C      -3.763862     -5.532218      9.252588
  F      -3.822718     -5.372750     10.599534
  C      -4.949807     -5.533778      8.505262
  C      -6.282490     -5.358231      9.098567
  O      -7.335807     -5.473108      8.482593
  C      -6.472838     -4.999654     10.582370
  O      -6.756748     -5.811257     11.427938
  C      -6.428787     -3.468875     10.830718
  O      -6.060079     -2.691979     10.000316
  Cl     -6.917670     -3.006363     12.473049
  C      -4.855293     -5.671675      7.113514
  H      -1.761363     -1.662784      3.748074
  H      -1.954539      0.830872      3.975366
  H      -5.509156     -1.752529      1.630603
  H      -8.173582     -7.269219      4.055175
  H      -9.787512     -6.695262      5.871970
  H      -6.995877     -3.156400      3.896485
  H      -1.475179     -5.899508      6.793411
  H      -1.625551     -5.713652      9.273306
  H      -5.778688     -5.658783      6.531614
  N      -4.942368     -3.079342      5.263259
  N      -5.798698     -1.928728      4.825499
  H      -5.128616     -1.157494      4.711902
  H      -7.481348     -0.805703      5.011885
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.570226253211
  N      -3.565195     -3.294196      2.641126
  C      -3.000419     -3.839935      1.400042
  C      -2.630072     -5.292476      1.624327
  N      -3.716521     -5.986088      2.362896
  C      -4.834440     -6.382262      1.465412
  C      -6.102154     -6.554366      2.283645
  N      -6.238385     -5.391681      3.151978
  Mo     -4.570606     -4.500672      3.875877
  N      -3.576276     -5.759863      5.067785
  C      -2.588724     -6.643999      4.437712
  C      -3.183680     -7.142590      3.131344
  H      -2.372228     -7.505735      5.089253
  H      -1.629317     -6.123903      4.259927
  H      -4.024306     -7.810696      3.360270
  H      -2.449467     -7.701104      2.525408
  H      -6.969476     -6.637961      1.606616
  H      -6.063607     -7.492152      2.871354
  H      -4.979364     -5.566945      0.742828
  H      -4.577325     -7.298828      0.906838
  H      -2.093667     -3.279065      1.114806
  H      -3.715291     -3.726970      0.561839
  H      -1.729474     -5.337990      2.251798
  H      -2.414710     -5.813366      0.675617
  C      -3.609905     -1.877629      2.674666
  C      -2.620153     -1.145375      3.357857
  C      -2.711903      0.239514      3.491947
  C      -3.803579      0.891183      2.937094
  F      -3.921644      2.228511      3.121210
  C      -4.800261      0.205157      2.225843
  C      -6.026685      0.846371      1.735378
  O      -6.934536      0.260337      1.154064
  C      -6.296195      2.344494      1.948527
  O      -6.032205      3.190361      1.130904
  C      -7.097031      2.614550      3.250386
  O      -7.312339      1.759242      4.060545
  Cl     -7.611820      4.294900      3.430069
  C      -4.673033     -1.188516      2.090868
  C      -7.410394     -5.237949      3.908684
  C      -8.235934     -6.254248      4.415692
  C      -9.120755     -5.952307      5.460402
  C      -9.108064     -4.695348      6.055134
  F      -9.885158     -4.498462      7.134731
  C      -8.300093     -3.651393      5.542435
  C      -7.948027     -2.438010      6.321000
  O      -8.416576     -2.210495      7.417144
  C      -6.882017     -1.423730      5.693435
  O      -4.350360     -2.875298      6.330144
  C      -6.476388     -0.356125      6.722560
  O      -7.139506      0.116454      7.581275
  Cl     -4.793122      0.375168      6.405095
  C      -7.611066     -3.934581      4.365453
  C      -3.622281     -5.751697      6.471742
  C      -2.453216     -5.791412      7.260914
  C      -2.516270     -5.667767      8.647183
  C      -3.754011     -5.502776      9.250759
  F      -3.806937     -5.339556     10.597588
  C      -4.944037     -5.513279      8.510353
  C      -6.273919     -5.348918      9.112943
  O      -7.330580     -5.487564      8.507995
  C      -6.455676     -5.011580     10.603085
  O      -6.710262     -5.838201     11.443498
  C      -6.404298     -3.485096     10.876103
  O      -6.059974     -2.693782     10.048997
  Cl     -6.858934     -3.049943     12.535673
  C      -4.856656     -5.656655      7.118658
  H      -1.793368     -1.684368      3.822536
  H      -1.970305      0.810415      4.050057
  H      -5.468396     -1.732330      1.579619
  H      -8.161927     -7.281518      4.056028
  H      -9.769471     -6.719694      5.883367
  H      -7.026226     -3.158716      3.880414
  H      -1.477174     -5.873148      6.780959
  H      -1.614935     -5.672355      9.260247
  H      -5.783325     -5.652578      6.541895
  N      -4.963789     -3.072897      5.253995
  N      -5.824160     -1.929658      4.808550
  H      -5.157813     -1.156235      4.693137
  H      -7.513827     -0.815972      5.008513
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.570568700107
  N      -3.577382     -3.293707      2.644665
  C      -3.017255     -3.837301      1.400506
  C      -2.642667     -5.288313      1.624573
  N      -3.728412     -5.983972      2.361068
  C      -4.842550     -6.382583      1.460742
  C      -6.111338     -6.556038      2.275422
  N      -6.252311     -5.392062      3.140550
  Mo     -4.586930     -4.499572      3.874842
  N      -3.588934     -5.755475      5.065141
  C      -2.600799     -6.639143      4.436301
  C      -3.195559     -7.139064      3.130808
  H      -2.384834     -7.500306      5.088950
  H      -1.641404     -6.118999      4.258576
  H      -4.035853     -7.807372      3.360158
  H      -2.460605     -7.698313      2.526235
  H      -6.976764     -6.642184      1.596060
  H      -6.072829     -7.493219      2.864200
  H      -4.986877     -5.568427      0.736773
  H      -4.581972     -7.299274      0.903820
  H      -2.113451     -3.273681      1.111937
  H      -3.735785     -3.727404      0.565058
  H      -1.742503     -5.331225      2.252833
  H      -2.425131     -5.808322      0.675755
  C      -3.613518     -1.876972      2.684381
  C      -2.638577     -1.157405      3.401609
  C      -2.720361      0.227901      3.536468
  C      -3.787964      0.892584      2.951187
  F      -3.895399      2.231260      3.132621
  C      -4.771040      0.219258      2.209595
  C      -5.979218      0.874343      1.691062
  O      -6.864661      0.304245      1.061920
  C      -6.248157      2.370926      1.920737
  O      -5.967393      3.228069      1.120678
  C      -7.057375      2.629397      3.220183
  O      -7.293877      1.763014      4.011887
  Cl     -7.529383      4.317960      3.435587
  C      -4.652577     -1.174971      2.072172
  C      -7.419528     -5.252645      3.907720
  C      -8.226188     -6.279873      4.423960
  C      -9.107224     -5.986768      5.474906
  C      -9.105254     -4.728242      6.066823
  F      -9.877420     -4.538156      7.150885
  C      -8.314451     -3.674552      5.545374
  C      -7.962599     -2.462749      6.325584
  O      -8.416426     -2.246911      7.429977
  C      -6.913275     -1.433526      5.688745
  O      -4.380661     -2.857285      6.320168
  C      -6.502325     -0.371075      6.718695
  O      -7.144434      0.080315      7.603907
  Cl     -4.843091      0.397842      6.354642
  C      -7.633869     -3.952188      4.363154
  C      -3.623603     -5.733900      6.469613
  C      -2.449459     -5.759352      7.251361
  C      -2.505027     -5.629942      8.637419
  C      -3.740236     -5.476048      9.248377
  F      -3.786452     -5.310430     10.595328
  C      -4.935006     -5.500892      8.515976
  C      -6.262456     -5.358833      9.130000
  O      -7.321454     -5.485219      8.526756
  C      -6.434874     -5.027078     10.623057
  O      -6.690129     -5.857397     11.459459
  C      -6.383586     -3.502316     10.904248
  O      -6.049913     -2.705928     10.077960
  Cl     -6.836850     -3.075897     12.566586
  C      -4.854960     -5.645597      7.123946
  H      -1.832408     -1.706384      3.889939
  H      -1.989780      0.789733      4.117839
  H      -5.437620     -1.709468      1.535586
  H      -8.141539     -7.306641      4.065465
  H      -9.743094     -6.761420      5.904042
  H      -7.065687     -3.168964      3.871549
  H      -1.475620     -5.836141      6.766101
  H      -1.599834     -5.623424      9.244791
  H      -5.785167     -5.654470      6.552992
  N      -4.990319     -3.068248      5.243725
  N      -5.860985     -1.934455      4.791600
  H      -5.200044     -1.157213      4.671731
  H      -7.560726     -0.835265      5.011001
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.570869845386
  N      -3.587425     -3.292411      2.647114
  C      -3.032120     -3.834353      1.399863
  C      -2.654459     -5.284319      1.623965
  N      -3.740269     -5.981818      2.358247
  C      -4.851271     -6.382874      1.455716
  C      -6.120626     -6.557165      2.268247
  N      -6.265731     -5.391393      3.129794
  Mo     -4.602198     -4.497121      3.871308
  N      -3.602053     -5.749675      5.060274
  C      -2.612741     -6.633158      4.433930
  C      -3.206858     -7.135394      3.129226
  H      -2.397019     -7.493260      5.088212
  H      -1.653349     -6.113016      4.256338
  H      -4.046300     -7.804484      3.359208
  H      -2.470840     -7.695028      2.526163
  H      -6.984691     -6.646702      1.587316
  H      -6.081770     -7.493520      2.858328
  H      -4.995583     -5.570055      0.730276
  H      -4.587904     -7.299676      0.900230
  H      -2.131139     -3.268612      1.107271
  H      -3.754262     -3.727330      0.567254
  H      -1.755269     -5.324677      2.253776
  H      -2.433748     -5.803784      0.675499
  C      -3.616089     -1.875759      2.693745
  C      -2.653552     -1.169030      3.440046
  C      -2.723058      0.216627      3.574377
  C      -3.765560      0.894137      2.959975
  F      -3.860616      2.234548      3.137048
  C      -4.735862      0.233239      2.190804
  C      -5.920579      0.904739      1.639987
  O      -6.786362      0.351141      0.970480
  C      -6.189429      2.397440      1.894181
  O      -5.901282      3.268064      1.111415
  C      -7.015634      2.632907      3.187482
  O      -7.283023      1.747696      3.948411
  Cl     -7.474422      4.320958      3.435466
  C      -4.630673     -1.161916      2.054944
  C      -7.427123     -5.266341      3.908191
  C      -8.215944     -6.303997      4.432763
  C      -9.094749     -6.019982      5.488590
  C      -9.105248     -4.761051      6.078199
  F      -9.874313     -4.578844      7.165734
  C      -8.330349     -3.697563      5.550528
  C      -7.977505     -2.489071      6.334142
  O      -8.416997     -2.286713      7.446826
  C      -6.945856     -1.444177      5.689852
  O      -4.410952     -2.843653      6.308297
  C      -6.527910     -0.390557      6.725679
  O      -7.154685      0.043856      7.629887
  Cl     -4.898659      0.421147      6.319291
  C      -7.655403     -3.969165      4.364258
  C      -3.627875     -5.715122      6.465110
  C      -2.449259     -5.728469      7.239728
  C      -2.497437     -5.591819      8.625414
  C      -3.730012     -5.444453      9.242587
  F      -3.769461     -5.272583     10.589277
  C      -4.929244     -5.480546      8.517519
  C      -6.253481     -5.350987      9.141985
  O      -7.315416     -5.475167      8.543971
  C      -6.414157     -5.041532     10.641540
  O      -6.668640     -5.885279     11.464641
  C      -6.365499     -3.521629     10.947307
  O      -6.037701     -2.711055     10.132615
  Cl     -6.805907     -3.124497     12.620575
  C      -4.856325     -5.630219      7.125863
  H      -1.868348     -1.728252      3.950241
  H      -2.001907      0.769655      4.175670
  H      -5.405652     -1.687022      1.494848
  H      -8.119991     -7.330277      4.076139
  H      -9.717961     -6.802320      5.922313
  H      -7.107338     -3.175467      3.866905
  H      -1.477653     -5.802282      6.749496
  H      -1.588707     -5.575191      9.227298
  H      -5.789551     -5.649128      6.560102
  N      -5.016898     -3.064452      5.231510
  N      -5.900325     -1.936975      4.778265
  H      -5.243131     -1.157330      4.653114
  H      -7.607883     -0.849806      5.023857
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.571123913298
  N      -3.599338     -3.289735      2.649851
  C      -3.046958     -3.829134      1.399767
  C      -2.665722     -5.278327      1.623368
  N      -3.751592     -5.979043      2.355316
  C      -4.859194     -6.384153      1.450289
  C      -6.129536     -6.560295      2.261058
  N      -6.280177     -5.392536      3.119270
  Mo     -4.619690     -4.494293      3.866246
  N      -3.616887     -5.741615      5.055560
  C      -2.624433     -6.624182      4.432773
  C      -3.215740     -7.130285      3.127973
  H      -2.407792     -7.482506      5.089118
  H      -1.665643     -6.102744      4.255906
  H      -4.053233     -7.801685      3.358302
  H      -2.477458     -7.688854      2.526755
  H      -6.992184     -6.655070      1.578885
  H      -6.088956     -7.495436      2.852827
  H      -5.004320     -5.572906      0.723256
  H      -4.592191     -7.300669      0.896236
  H      -2.148599     -3.261032      1.104227
  H      -3.771709     -3.724422      0.569335
  H      -1.767865     -5.315646      2.255242
  H      -2.440677     -5.796999      0.675536
  C      -3.622675     -1.873402      2.704733
  C      -2.675608     -1.178502      3.481643
  C      -2.734592      0.207294      3.617249
  C      -3.750396      0.896620      2.972504
  F      -3.836319      2.238190      3.148063
  C      -4.703765      0.247456      2.172736
  C      -5.860352      0.934816      1.582606
  O      -6.697365      0.398206      0.864846
  C      -6.131973      2.423597      1.857287
  O      -5.824808      3.307158      1.096410
  C      -6.965497      2.640044      3.149072
  O      -7.263806      1.738625      3.879125
  Cl     -7.389413      4.330712      3.440719
  C      -4.610982     -1.148439      2.038330
  C      -7.435610     -5.281720      3.908778
  C      -8.205889     -6.328982      4.443399
  C      -9.082008     -6.053970      5.504039
  C      -9.106851     -4.794825      6.090629
  F      -9.874275     -4.620656      7.180788
  C      -8.348410     -3.721969      5.556516
  C      -7.995132     -2.514370      6.341039
  O      -8.422452     -2.323076      7.460785
  C      -6.981058     -1.456751      5.689460
  O      -4.445621     -2.831386      6.295352
  C      -6.554716     -0.409526      6.728939
  O      -7.161195      0.001130      7.657742
  Cl     -4.942991      0.424179      6.298734
  C      -7.678877     -3.987219      4.365415
  C      -3.635945     -5.695747      6.460734
  C      -2.452814     -5.693971      7.227999
  C      -2.493247     -5.549970      8.613271
  C      -3.723519     -5.412511      9.236661
  F      -3.756430     -5.235575     10.583259
  C      -4.927081     -5.464079      8.519373
  C      -6.247855     -5.350033      9.154972
  O      -7.312745     -5.479863      8.564263
  C      -6.396045     -5.055597     10.659258
  O      -6.625640     -5.912385     11.476313
  C      -6.347333     -3.539974     10.984435
  O      -6.033197     -2.717619     10.176256
  Cl     -6.738744     -3.169558     12.676209
  C      -4.861454     -5.618863      7.128117
  H      -1.912323     -1.747372      4.013869
  H      -2.025586      0.751879      4.240329
  H      -5.373366     -1.664117      1.452788
  H      -8.097772     -7.355221      4.090398
  H      -9.691843     -6.844067      5.942800
  H      -7.152063     -3.182193      3.862893
  H      -1.483544     -5.761918      6.732308
  H      -1.580978     -5.521020      9.209257
  H      -5.797773     -5.650331      6.567971
  N      -5.046549     -3.061353      5.217874
  N      -5.943397     -1.940082      4.763240
  H      -5.289057     -1.158460      4.631710
  H      -7.656387     -0.865012      5.035456
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.571336125445
  N      -3.610770     -3.286998      2.652188
  C      -3.062462     -3.823147      1.398455
  C      -2.679349     -5.272588      1.619341
  N      -3.765013     -5.976082      2.350488
  C      -4.871044     -6.383728      1.444063
  C      -6.141858     -6.561509      2.254793
  N      -6.296096     -5.392503      3.111576
  Mo     -4.637302     -4.491544      3.860600
  N      -3.630962     -5.734165      5.049827
  C      -2.636786     -6.616796      4.428732
  C      -3.226406     -7.125825      3.123687
  H      -2.418878     -7.473647      5.086500
  H      -1.678441     -6.094599      4.251730
  H      -4.062220     -7.799095      3.354856
  H      -2.486947     -7.683144      2.522998
  H      -7.004178     -6.660789      1.572868
  H      -6.098700     -7.495698      2.847708
  H      -5.017193     -5.573036      0.716560
  H      -4.602066     -7.299547      0.890137
  H      -2.165679     -3.254005      1.100487
  H      -3.789871     -3.718036      0.570647
  H      -1.781808     -5.308899      2.251702
  H      -2.452442     -5.789985      0.671422
  C      -3.627921     -1.871269      2.717467
  C      -2.698324     -1.189233      3.526597
  C      -2.746567      0.196431      3.666352
  C      -3.734328      0.898469      2.992678
  F      -3.812503      2.240493      3.171063
  C      -4.668425      0.262302      2.160511
  C      -5.793312      0.965829      1.528712
  O      -6.599414      0.444659      0.765859
  C      -6.068066      2.451000      1.821625
  O      -5.764100      3.342951      1.069365
  C      -6.924845      2.646520      3.101072
  O      -7.245434      1.731769      3.804842
  Cl     -7.348985      4.333372      3.415910
  C      -4.587788     -1.133944      2.024147
  C      -7.444162     -5.293885      3.913695
  C      -8.195828     -6.348873      4.460274
  C      -9.064789     -6.082069      5.528659
  C      -9.100958     -4.822735      6.112786
  F      -9.862963     -4.655962      7.208166
  C      -8.359842     -3.742092      5.569890
  C      -8.004175     -2.532469      6.351568
  O      -8.419451     -2.348198      7.477589
  C      -7.006596     -1.467602      5.690174
  O      -4.473896     -2.819745      6.282867
  C      -6.568308     -0.421561      6.726925
  O      -7.154080     -0.028408      7.676467
  Cl     -4.980668      0.437935      6.261247
  C      -7.699931     -4.001051      4.370925
  C      -3.641531     -5.679719      6.455372
  C      -2.451974     -5.662169      7.212183
  C      -2.480923     -5.512586      8.597196
  C      -3.707396     -5.387367      9.230290
  F      -3.729931     -5.207663     10.577002
  C      -4.916799     -5.455004      8.524009
  C      -6.233074     -5.357521      9.172792
  O      -7.301398     -5.500931      8.592092
  C      -6.367019     -5.076575     10.681171
  O      -6.588718     -5.943918     11.489363
  C      -6.354563     -3.563253     11.018158
  O      -6.065898     -2.726480     10.215456
  Cl     -6.749280     -3.216572     12.714489
  C      -4.862030     -5.613337      7.132703
  H      -1.957640     -1.768569      4.079066
  H      -2.051217      0.731279      4.312783
  H      -5.336515     -1.638441      1.411935
  H      -8.077944     -7.375218      4.110630
  H      -9.660639     -6.878937      5.974520
  H      -7.193183     -3.186543      3.862376
  H      -1.486556     -5.722625      6.708096
  H      -1.563714     -5.471562      9.184724
  H      -5.802852     -5.657586      6.580884
  N      -5.070979     -3.058124      5.205544
  N      -5.979839     -1.943017      4.748541
  H      -5.327427     -1.160305      4.608367
  H      -7.694056     -0.877871      5.047507
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.571508331320
  N      -3.624707     -3.281101      2.657179
  C      -3.079111     -3.814051      1.400591
  C      -2.691976     -5.262712      1.619088
  N      -3.776387     -5.969700      2.349069
  C      -4.879852     -6.379999      1.440506
  C      -6.151069     -6.562685      2.249938
  N      -6.311465     -5.394287      3.107014
  Mo     -4.656676     -4.487315      3.858243
  N      -3.645600     -5.724662      5.048233
  C      -2.649112     -6.606501      4.428555
  C      -3.235385     -7.117920      3.122769
  H      -2.429888     -7.461922      5.087634
  H      -1.691647     -6.082462      4.252007
  H      -4.069655     -7.793408      3.353312
  H      -2.493841     -7.673085      2.522867
  H      -7.012554     -6.666690      1.567771
  H      -6.103548     -7.496339      2.843277
  H      -5.027442     -5.568872      0.713714
  H      -4.607486     -7.294270      0.885886
  H      -2.184243     -3.242866      1.101071
  H      -3.808918     -3.709539      0.575012
  H      -1.794681     -5.297323      2.251890
  H      -2.463389     -5.778615      0.670891
  C      -3.636497     -1.865995      2.728430
  C      -2.723962     -1.192984      3.564350
  C      -2.758960      0.193706      3.699268
  C      -3.718569      0.905982      2.995661
  F      -3.785182      2.249877      3.167467
  C      -4.636316      0.279187      2.139270
  C      -5.729342      0.995789      1.465193
  O      -6.510843      0.481894      0.672875
  C      -6.004727      2.481698      1.761691
  O      -5.696888      3.375088      1.013090
  C      -6.857930      2.676859      3.043088
  O      -7.195189      1.759507      3.734481
  Cl     -7.249633      4.367084      3.381405
  C      -4.567648     -1.118125      2.006994
  C      -7.453506     -5.309823      3.919904
  C      -8.186637     -6.374488      4.471954
  C      -9.049879     -6.120146      5.547622
  C      -9.099046     -4.861390      6.132832
  F      -9.853744     -4.705398      7.235000
  C      -8.376969     -3.771314      5.584191
  C      -8.025133     -2.558337      6.364117
  O      -8.433473     -2.381098      7.493959
  C      -7.041938     -1.484211      5.698261
  O      -4.509657     -2.810266      6.278082
  C      -6.597902     -0.440677      6.735779
  O      -7.172812     -0.062900      7.698241
  Cl     -5.045776      0.461533      6.236342
  C      -7.723851     -4.020303      4.378693
  C      -3.649454     -5.664382      6.454008
  C      -2.454601     -5.630377      7.202028
  C      -2.474892     -5.479179      8.587040
  C      -3.698674     -5.368916      9.228559
  F      -3.713513     -5.188905     10.575360
  C      -4.912079     -5.450648      8.530943
  C      -6.225237     -5.369792      9.188848
  O      -7.295496     -5.524017      8.614863
  C      -6.351287     -5.104715     10.700771
  O      -6.547275     -5.984452     11.502397
  C      -6.336446     -3.596097     11.056741
  O      -6.064981     -2.747812     10.260108
  Cl     -6.700993     -3.272908     12.764646
  C      -4.865534     -5.609647      7.139358
  H      -2.004112     -1.779678      4.136253
  H      -2.075131      0.721763      4.363247
  H      -5.302979     -1.613564      1.371634
  H      -8.058003     -7.399323      4.121422
  H      -9.630890     -6.925410      5.998054
  H      -7.236495     -3.195632      3.867364
  H      -1.492372     -5.681136      6.690836
  H      -1.553995     -5.426834      9.167771
  H      -5.809713     -5.665787      6.594276
  N      -5.101053     -3.055392      5.199360
  N      -6.023492     -1.947575      4.742146
  H      -5.375134     -1.161693      4.596930
  H      -7.740750     -0.895667      5.066330
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.571661249019
  N      -3.631839     -3.275348      2.661959
  C      -3.089247     -3.805902      1.403073
  C      -2.702227     -5.254981      1.618622
  N      -3.787011     -5.962833      2.347247
  C      -4.889508     -6.371574      1.436954
  C      -6.160798     -6.558213      2.244923
  N      -6.324286     -5.392006      3.104298
  Mo     -4.671398     -4.482597      3.856312
  N      -3.657585     -5.717405      5.046684
  C      -2.662158     -6.600568      4.426763
  C      -3.247541     -7.111583      3.120745
  H      -2.443690     -7.455649      5.086471
  H      -1.704391     -6.076990      4.249992
  H      -4.082539     -7.786544      3.350296
  H      -2.505755     -7.666619      2.521087
  H      -7.021950     -6.663291      1.562595
  H      -6.110379     -7.492383      2.837228
  H      -5.037017     -5.558256      0.712566
  H      -4.616210     -7.284220      0.880075
  H      -2.194494     -3.234675      1.103443
  H      -3.820418     -3.699886      0.579013
  H      -1.804829     -5.291362      2.251186
  H      -2.474705     -5.769369      0.669354
  C      -3.640837     -1.861198      2.738733
  C      -2.750875     -1.192622      3.602337
  C      -2.781085      0.194097      3.734743
  C      -3.716272      0.910583      3.003399
  F      -3.779142      2.255843      3.169140
  C      -4.612483      0.288193      2.122601
  C      -5.676930      1.012709      1.412219
  O      -6.422794      0.509041      0.580621
  C      -5.950803      2.499374      1.711872
  O      -5.614983      3.396919      0.980832
  C      -6.836362      2.689316      2.972678
  O      -7.222785      1.765376      3.630002
  Cl     -7.190387      4.381531      3.341459
  C      -4.546350     -1.108852      1.989914
  C      -7.460600     -5.317444      3.926603
  C      -8.179344     -6.388756      4.483678
  C      -9.035558     -6.143338      5.566621
  C      -9.091299     -4.884575      6.153032
  F      -9.835759     -4.735964      7.263019
  C      -8.384696     -3.788356      5.598325
  C      -8.035738     -2.571471      6.375717
  O      -8.440618     -2.396968      7.507079
  C      -7.060171     -1.492908      5.706988
  O      -4.533282     -2.802072      6.276898
  C      -6.607834     -0.452483      6.744090
  O      -7.165686     -0.091823      7.723131
  Cl     -5.070227      0.462910      6.227578
  C      -7.740149     -4.030207      4.386323
  C      -3.654322     -5.653712      6.452635
  C      -2.454295     -5.607646      7.192163
  C      -2.466313     -5.458102      8.577344
  C      -3.687018     -5.360212      9.227521
  F      -3.694254     -5.183068     10.574601
  C      -4.904066     -5.449954      8.537965
  C      -6.214173     -5.382228      9.203545
  O      -7.286509     -5.541295      8.634653
  C      -6.334129     -5.132362     10.718366
  O      -6.519478     -6.021404     11.512299
  C      -6.326207     -3.627459     11.088890
  O      -6.068088     -2.769209     10.298391
  Cl     -6.691897     -3.322626     12.800069
  C      -4.865743     -5.606883      7.145649
  H      -2.050245     -1.782799      4.194172
  H      -2.113322      0.718610      4.417569
  H      -5.265807     -1.599161      1.332715
  H      -8.044595     -7.412167      4.131324
  H      -9.604923     -6.954028      6.022098
  H      -7.266183     -3.199763      3.871785
  H      -1.495431     -5.650210      6.673981
  H      -1.541960     -5.398464      9.151814
  H      -5.813125     -5.670072      6.606891
  N      -5.119970     -3.051389      5.196630
  N      -6.050137     -1.948622      4.738840
  H      -5.404469     -1.161246      4.589729
  H      -7.765534     -0.902478      5.083890
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.571823076126
  N      -3.643892     -3.268090      2.667746
  C      -3.105046     -3.795335      1.405854
  C      -2.714861     -5.243768      1.617914
  N      -3.797474     -5.954417      2.346083
  C      -4.898597     -6.363784      1.434565
  C      -6.168903     -6.558391      2.241119
  N      -6.337656     -5.395666      3.103635
  Mo     -4.688625     -4.479175      3.855295
  N      -3.669535     -5.708913      5.046838
  C      -2.673623     -6.590940      4.425580
  C      -3.257362     -7.102469      3.119607
  H      -2.453859     -7.445380      5.085654
  H      -1.716916     -6.065457      4.248141
  H      -4.091741     -7.778515      3.348033
  H      -2.514135     -7.655960      2.520254
  H      -7.029663     -6.665494      1.558684
  H      -6.113233     -7.493453      2.831563
  H      -5.048428     -5.548113      0.713320
  H      -4.622455     -7.273880      0.874707
  H      -2.211646     -3.222427      1.105523
  H      -3.838445     -3.689300      0.583918
  H      -1.816354     -5.280417      2.248836
  H      -2.489130     -5.755956      0.666972
  C      -3.649005     -1.854523      2.747950
  C      -2.778217     -1.190812      3.634471
  C      -2.800789      0.196679      3.762525
  C      -3.710335      0.919774      3.004907
  F      -3.764574      2.266581      3.164514
  C      -4.589983      0.303085      2.104367
  C      -5.628049      1.034940      1.359859
  O      -6.356782      0.530771      0.514274
  C      -5.890408      2.529219      1.641962
  O      -5.548704      3.414344      0.899062
  C      -6.773125      2.746096      2.900267
  O      -7.185067      1.834853      3.558406
  Cl     -7.096105      4.447075      3.256398
  C      -4.530523     -1.094812      1.976346
  C      -7.468661     -5.332708      3.934923
  C      -8.170886     -6.411435      4.498606
  C      -9.020397     -6.175664      5.588507
  C      -9.083686     -4.916652      6.175250
  F      -9.819290     -4.775098      7.291652
  C      -8.393967     -3.814246      5.613924
  C      -8.053760     -2.591886      6.387864
  O      -8.461444     -2.416474      7.517760
  C      -7.085482     -1.508732      5.717286
  O      -4.562267     -2.795725      6.279811
  C      -6.627462     -0.470057      6.754022
  O      -7.166540     -0.128597      7.750447
  Cl     -5.111364      0.465919      6.214820
  C      -7.758852     -4.048537      4.394995
  C      -3.658401     -5.643365      6.452957
  C      -2.452899     -5.583075      7.183321
  C      -2.455739     -5.437388      8.568626
  C      -3.672387     -5.356412      9.229106
  F      -3.671284     -5.186839     10.576933
  C      -4.893252     -5.456660      8.548982
  C      -6.198593     -5.409029      9.225264
  O      -7.274123     -5.572900      8.663446
  C      -6.310704     -5.168484     10.742150
  O      -6.476873     -6.064173     11.532788
  C      -6.330015     -3.665728     11.119903
  O      -6.093773     -2.798919     10.332175
  Cl     -6.696909     -3.375704     12.833422
  C      -4.864601     -5.608250      7.155054
  H      -2.096479     -1.784596      4.244478
  H      -2.146120      0.716754      4.461226
  H      -5.237309     -1.579268      1.301258
  H      -8.028801     -7.433201      4.144550
  H      -9.577540     -6.991719      6.049344
  H      -7.297827     -3.213710      3.876736
  H      -1.497970     -5.613739      6.657173
  H      -1.527660     -5.368759      9.136079
  H      -5.815507     -5.679604      6.623588
  N      -5.143022     -3.050047      5.197107
  N      -6.081979     -1.955439      4.738084
  H      -5.441697     -1.164510      4.585426
  H      -7.796450     -0.916660      5.101852
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.572015218358
  N      -3.656258     -3.262326      2.672409
  C      -3.121342     -3.785937      1.407093
  C      -2.727391     -5.233872      1.615351
  N      -3.807209     -5.948025      2.343432
  C      -4.906651     -6.359579      1.430809
  C      -6.175538     -6.564209      2.235749
  N      -6.350123     -5.405661      3.102033
  Mo     -4.705984     -4.479259      3.852140
  N      -3.681584     -5.701808      5.046564
  C      -2.684118     -6.581513      4.423793
  C      -3.265661     -7.094497      3.118029
  H      -2.461962     -7.435028      5.084259
  H      -1.729195     -6.052927      4.245443
  H      -4.098710     -7.772457      3.345169
  H      -2.520068     -7.646119      2.519748
  H      -7.035663     -6.673135      1.552825
  H      -6.114251     -7.500685      2.823386
  H      -5.060261     -5.541613      0.713026
  H      -4.626392     -7.266550      0.867621
  H      -2.229567     -3.210900      1.106073
  H      -3.856797     -3.680397      0.587115
  H      -1.827212     -5.270694      2.243783
  H      -2.504057     -5.743382      0.662305
  C      -3.657381     -1.849260      2.757485
  C      -2.804381     -1.191691      3.665502
  C      -2.821627      0.195786      3.794400
  C      -3.707604      0.926043      3.015941
  F      -3.753728      2.273923      3.173287
  C      -4.571713      0.316295      2.096332
  C      -5.586693      1.056748      1.326649
  O      -6.302808      0.555321      0.469544
  C      -5.826578      2.559617      1.590192
  O      -5.465647      3.429334      0.838462
  C      -6.714799      2.810129      2.838552
  O      -7.161644      1.915635      3.496499
  Cl     -6.994691      4.521879      3.179611
  C      -4.518350     -1.081876      1.969029
  C      -7.476339     -5.353541      3.941068
  C      -8.161727     -6.438685      4.514139
  C      -9.003237     -6.210324      5.611353
  C      -9.073009     -4.949986      6.195828
  F      -9.799606     -4.813520      7.318217
  C      -8.400247     -3.842465      5.625683
  C      -8.073743     -2.612249      6.393422
  O      -8.491036     -2.429913      7.518399
  C      -7.110013     -1.527692      5.720531
  O      -4.591586     -2.791976      6.283170
  C      -6.645877     -0.488190      6.754745
  O      -7.165804     -0.159710      7.765632
  Cl     -5.167566      0.482256      6.175059
  C      -7.776125     -4.071785      4.399827
  C      -3.663057     -5.634746      6.452709
  C      -2.452441     -5.562281      7.174245
  C      -2.446538     -5.419172      8.559367
  C      -3.658884     -5.350993      9.229522
  F      -3.649674     -5.185371     10.577522
  C      -4.883437     -5.459425      8.558220
  C      -6.183599     -5.423574      9.244181
  O      -7.263037     -5.589928      8.690118
  C      -6.287947     -5.193612     10.763067
  O      -6.432413     -6.095435     11.550943
  C      -6.331341     -3.693247     11.148413
  O      -6.113257     -2.818879     10.363921
  Cl     -6.694283     -3.417618     12.865084
  C      -4.864164     -5.608091      7.163092
  H      -2.140753     -1.789666      4.291171
  H      -2.179572      0.710061      4.508948
  H      -5.214272     -1.559832      1.278112
  H      -8.012556     -7.459311      4.159800
  H      -9.548274     -7.030253      6.079555
  H      -7.324977     -3.236183      3.875184
  H      -1.501582     -5.582259      6.640362
  H      -1.515073     -5.341892      9.120230
  H      -5.818307     -5.684155      6.638185
  N      -5.165051     -3.052345      5.197302
  N      -6.110813     -1.968497      4.733685
  H      -5.477274     -1.173196      4.576136
  H      -7.823089     -0.932977      5.110260
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.572279970831
  N      -3.667620     -3.256461      2.672765
  C      -3.139541     -3.779330      1.403492
  C      -2.740096     -5.226136      1.610177
  N      -3.815739     -5.942950      2.340830
  C      -4.914179     -6.360099      1.429440
  C      -6.180088     -6.574761      2.235085
  N      -6.359795     -5.419286      3.104004
  Mo     -4.720293     -4.478587      3.848066
  N      -3.689981     -5.692102      5.046061
  C      -2.690011     -6.568497      4.421873
  C      -3.270693     -7.085807      3.118181
  H      -2.463271     -7.419842      5.083588
  H      -1.738064     -6.035523      4.240622
  H      -4.101198     -7.766481      3.345836
  H      -2.522525     -7.636002      2.521601
  H      -7.040183     -6.686048      1.552442
  H      -6.113163     -7.512295      2.820350
  H      -5.074076     -5.541647      0.713713
  H      -4.629079     -7.264434      0.864174
  H      -2.251042     -3.201816      1.097855
  H      -3.879134     -3.677524      0.587067
  H      -1.837188     -5.261147      2.234654
  H      -2.520076     -5.734203      0.655488
  C      -3.662512     -1.843428      2.759397
  C      -2.816527     -1.193049      3.678927
  C      -2.822844      0.194381      3.805704
  C      -3.690393      0.932281      3.014551
  F      -3.721323      2.281688      3.167262
  C      -4.550526      0.329850      2.086284
  C      -5.551092      1.079906      1.305976
  O      -6.272742      0.581805      0.452313
  C      -5.767333      2.588174      1.561384
  O      -5.392603      3.446566      0.803402
  C      -6.657895      2.863196      2.803494
  O      -7.130459      1.981460      3.461270
  Cl     -6.899020      4.582484      3.137578
  C      -4.508890     -1.068750      1.961762
  C      -7.481864     -5.377519      3.949758
  C      -8.151779     -6.469439      4.529340
  C      -8.988665     -6.246905      5.631497
  C      -9.067698     -4.984093      6.212003
  F      -9.790717     -4.851794      7.336703
  C      -8.408797     -3.871558      5.634868
  C      -8.103602     -2.631179      6.393453
  O      -8.540387     -2.435161      7.508295
  C      -7.137376     -1.545724      5.722043
  O      -4.623669     -2.787936      6.288818
  C      -6.666342     -0.512395      6.759771
  O      -7.160469     -0.204303      7.789762
  Cl     -5.229899      0.496895      6.142315
  C      -7.790708     -4.099287      4.407192
  C      -3.664701     -5.623278      6.451978
  C      -2.450230     -5.541669      7.166416
  C      -2.437841     -5.400154      8.551205
  C      -3.646431     -5.341618      9.229140
  F      -3.630694     -5.176902     10.576804
  C      -4.874044     -5.456841      8.564513
  C      -6.169528     -5.428357      9.257899
  O      -7.253276     -5.587103      8.709254
  C      -6.269423     -5.210179     10.778360
  O      -6.397407     -6.117266     11.562967
  C      -6.343934     -3.712255     11.169919
  O      -6.136940     -2.830919     10.390127
  Cl     -6.711871     -3.450649     12.887510
  C      -4.861883     -5.603154      7.168621
  H      -2.167648     -1.795621      4.315507
  H      -2.184600      0.702442      4.528134
  H      -5.201177     -1.540405      1.262786
  H      -7.994691     -7.488788      4.174551
  H      -9.523531     -7.070044      6.105607
  H      -7.347118     -3.263653      3.877882
  H      -1.502753     -5.552480      6.626371
  H      -1.504006     -5.314763      9.107119
  H      -5.818233     -5.681751      6.648199
  N      -5.186706     -3.054128      5.197827
  N      -6.139508     -1.982295      4.729506
  H      -5.513899     -1.181150      4.568356
  H      -7.849982     -0.945557      5.116999
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.572645335868
  N      -3.676243     -3.253143      2.670494
  C      -3.154018     -3.776304      1.397960
  C      -2.750886     -5.222525      1.603931
  N      -3.823715     -5.941397      2.336626
  C      -4.920356     -6.366721      1.426677
  C      -6.183542     -6.589523      2.233886
  N      -6.367528     -5.435159      3.103220
  Mo     -4.731980     -4.479525      3.841360
  N      -3.697548     -5.682968      5.043565
  C      -2.693672     -6.555265      4.419000
  C      -3.274058     -7.079234      3.118225
  H      -2.461160     -7.403803      5.082383
  H      -1.745172     -6.017466      4.234407
  H      -4.101174     -7.763153      3.347858
  H      -2.523094     -7.628706      2.524281
  H      -7.043423     -6.703559      1.551209
  H      -6.112987     -7.527776      2.817445
  H      -5.087170     -5.549725      0.710948
  H      -4.629293     -7.269067      0.861195
  H      -2.268701     -3.196739      1.087402
  H      -3.897110     -3.678670      0.584435
  H      -1.846012     -5.255577      2.225508
  H      -2.532473     -5.729461      0.648220
  C      -3.664589     -1.840117      2.759580
  C      -2.822815     -1.198871      3.689316
  C      -2.820272      0.187895      3.819253
  C      -3.672970      0.934079      3.021125
  F      -3.691803      2.283713      3.176100
  C      -4.530435      0.340218      2.083846
  C      -5.522965      1.099830      1.302965
  O      -6.251481      0.609259      0.450987
  C      -5.721593      2.609269      1.558561
  O      -5.329743      3.462211      0.802590
  C      -6.621485      2.896428      2.791495
  O      -7.110907      2.021584      3.447074
  Cl     -6.840778      4.619963      3.121260
  C      -4.499787     -1.058307      1.957826
  C      -7.486613     -5.401257      3.953497
  C      -8.142336     -6.497473      4.543295
  C      -8.975975     -6.275623      5.648367
  C      -9.064816     -5.009592      6.220529
  F      -9.786673     -4.878492      7.345833
  C      -8.416442     -3.893541      5.635407
  C      -8.131785     -2.644307      6.384105
  O      -8.589530     -2.432406      7.487456
  C      -7.159540     -1.560163      5.715266
  O      -4.653207     -2.785070      6.290681
  C      -6.675081     -0.539323      6.759881
  O      -7.130766     -0.255659      7.813798
  Cl     -5.286347      0.512937      6.098736
  C      -7.802543     -4.124609      4.408016
  C      -3.666931     -5.609873      6.449142
  C      -2.450294     -5.524078      7.158983
  C      -2.433872     -5.380256      8.543270
  C      -3.639693     -5.324279      9.225731
  F      -3.619472     -5.155243     10.572550
  C      -4.869828     -5.443677      8.565120
  C      -6.161023     -5.414179      9.264397
  O      -7.249324     -5.560089      8.720631
  C      -6.256302     -5.213681     10.787004
  O      -6.371291     -6.128258     11.564894
  C      -6.350464     -3.719455     11.190857
  O      -6.146882     -2.829788     10.419446
  Cl     -6.717784     -3.476284     12.911031
  C      -4.862042     -5.591229      7.169450
  H      -2.187158     -1.807356      4.333449
  H      -2.185071      0.688651      4.549511
  H      -5.189812     -1.523873      1.252494
  H      -7.976735     -7.516893      4.192520
  H      -9.501730     -7.100112      6.130187
  H      -7.362717     -3.291890      3.871622
  H      -1.504923     -5.531459      6.615250
  H      -1.498706     -5.289299      9.096229
  H      -5.819485     -5.670510      6.651223
  N      -5.205072     -3.057320      5.194377
  N      -6.161399     -1.997176      4.720051
  H      -5.543484     -1.190249      4.554839
  H      -7.869133     -0.952601      5.114707
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.573122418382
  N      -3.681397     -3.250511      2.666346
  C      -3.163258     -3.775772      1.391857
  C      -2.758935     -5.221933      1.598389
  N      -3.830890     -5.941742      2.332780
  C      -4.925711     -6.377052      1.425193
  C      -6.186151     -6.604192      2.236905
  N      -6.371970     -5.448172      3.104290
  Mo     -4.737994     -4.478550      3.835386
  N      -3.700520     -5.672747      5.039551
  C      -2.692203     -6.540909      4.415227
  C      -3.274816     -7.073780      3.118732
  H      -2.452515     -7.386149      5.080366
  H      -1.747272     -5.998815      4.226304
  H      -4.097669     -7.761079      3.353264
  H      -2.522207     -7.623548      2.527054
  H      -7.046506     -6.721625      1.555039
  H      -6.114321     -7.542629      2.819777
  H      -5.099987     -5.563703      0.707077
  H      -4.628647     -7.278261      0.861394
  H      -2.281067     -3.194882      1.075509
  H      -3.909372     -3.682636      0.580677
  H      -1.853301     -5.252626      2.218846
  H      -2.539405     -5.728526      0.642859
  C      -3.665010     -1.837368      2.756701
  C      -2.821807     -1.204522      3.691204
  C      -2.811348      0.181486      3.824853
  C      -3.655240      0.934072      3.025167
  F      -3.664750      2.283106      3.184192
  C      -4.513688      0.347042      2.082640
  C      -5.502412      1.114354      1.307290
  O      -6.237577      0.633812      0.454522
  C      -5.692580      2.620770      1.567632
  O      -5.282548      3.472976      0.819448
  C      -6.608047      2.907989      2.788738
  O      -7.102998      2.034005      3.442362
  Cl     -6.822322      4.633466      3.115943
  C      -4.494008     -1.051379      1.955019
  C      -7.489679     -5.419262      3.956389
  C      -8.135420     -6.518155      4.554073
  C      -8.969931     -6.293041      5.658582
  C      -9.070005     -5.024731      6.221471
  F      -9.796637     -4.894037      7.344027
  C      -8.425629     -3.905351      5.631948
  C      -8.156707     -2.650508      6.372088
  O      -8.633109     -2.423001      7.464823
  C      -7.175079     -1.568263      5.708942
  O      -4.675751     -2.782973      6.290544
  C      -6.669278     -0.572182      6.767542
  O      -7.073701     -0.320133      7.848943
  Cl     -5.326089      0.524517      6.068197
  C      -7.810158     -4.142898      4.409172
  C      -3.667103     -5.593985      6.444783
  C      -2.451249     -5.510000      7.154439
  C      -2.434900     -5.361594      8.538524
  C      -3.640007     -5.302636      9.220352
  F      -3.618926     -5.126637     10.566259
  C      -4.871446     -5.423325      8.559132
  C      -6.159651     -5.387915      9.261692
  O      -7.251440     -5.518421      8.720846
  C      -6.251828     -5.213960     10.787057
  O      -6.360162     -6.140493     11.551767
  C      -6.354350     -3.725473     11.212662
  O      -6.145925     -2.824188     10.455819
  Cl     -6.718012     -3.509474     12.936994
  C      -4.863179     -5.573679      7.164810
  H      -2.194707     -1.818698      4.338144
  H      -2.175804      0.676604      4.558708
  H      -5.183161     -1.513552      1.246677
  H      -7.961126     -7.538327      4.209629
  H      -9.489621     -7.118142      6.146075
  H      -7.370318     -3.313524      3.867563
  H      -1.505607     -5.520007      6.611185
  H      -1.500053     -5.269143      9.091832
  H      -5.819813     -5.653289      6.645149
  N      -5.217606     -3.059376      5.189397
  N      -6.175624     -2.007617      4.712281
  H      -5.564553     -1.194534      4.544662
  H      -7.881424     -0.951915      5.114332
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.573583712647
  N      -3.685625     -3.248287      2.663185
  C      -3.171561     -3.774652      1.386627
  C      -2.766444     -5.221012      1.592845
  N      -3.837627     -5.941794      2.328677
  C      -4.930615     -6.385491      1.422821
  C      -6.188616     -6.617460      2.238041
  N      -6.376550     -5.460783      3.104374
  Mo     -4.744468     -4.478030      3.828992
  N      -3.704485     -5.663343      5.035612
  C      -2.692586     -6.528399      4.411715
  C      -3.276433     -7.068863      3.118605
  H      -2.447130     -7.370719      5.078532
  H      -1.750571     -5.982780      4.219435
  H      -4.095833     -7.758812      3.357108
  H      -2.522287     -7.618931      2.529087
  H      -7.049394     -6.738017      1.556984
  H      -6.114781     -7.556226      2.819934
  H      -5.111490     -5.574734      0.703397
  H      -4.628020     -7.285203      0.859838
  H      -2.291907     -3.192725      1.065567
  H      -3.920439     -3.684583      0.577705
  H      -1.859984     -5.250370      2.212049
  H      -2.546550     -5.727006      0.637171
  C      -3.665164     -1.835158      2.756408
  C      -2.824546     -1.210287      3.698855
  C      -2.808338      0.174741      3.837725
  C      -3.642322      0.933376      3.034838
  F      -3.645065      2.281696      3.198534
  C      -4.497599      0.353059      2.084060
  C      -5.478949      1.128241      1.310076
  O      -6.220238      0.656674      0.456871
  C      -5.662985      2.631590      1.577014
  O      -5.233342      3.484404      0.839758
  C      -6.599116      2.916061      2.782843
  O      -7.104853      2.041153      3.428223
  Cl     -6.811209      4.642446      3.111285
  C      -4.486217     -1.044947      1.952701
  C      -7.492709     -5.436595      3.958369
  C      -8.128752     -6.536911      4.565436
  C      -8.962611     -6.308666      5.670299
  C      -9.072218     -5.038415      6.224279
  F      -9.800311     -4.907347      7.346052
  C      -8.433208     -3.916794      5.628907
  C      -8.178125     -2.655835      6.359624
  O      -8.672176     -2.412581      7.441533
  C      -7.188265     -1.577117      5.700787
  O      -4.696691     -2.780935      6.288960
  C      -6.660805     -0.603565      6.770109
  O      -7.012786     -0.383317      7.875493
  Cl     -5.369607      0.540928      6.033367
  C      -7.817526     -4.159740      4.408756
  C      -3.668640     -5.580165      6.440587
  C      -2.453104     -5.498272      7.149547
  C      -2.436033     -5.347195      8.533613
  C      -3.640336     -5.285247      9.215405
  F      -3.618089     -5.103927     10.560559
  C      -4.873167     -5.404974      8.554015
  C      -6.158547     -5.362427      9.259739
  O      -7.253951     -5.471156      8.721073
  C      -6.247950     -5.211838     10.787149
  O      -6.351994     -6.148775     11.539771
  C      -6.351657     -3.728609     11.232590
  O      -6.136722     -2.817719     10.488878
  Cl     -6.713082     -3.535847     12.959992
  C      -4.865189     -5.557230      7.160791
  H      -2.207057     -1.829991      4.349637
  H      -2.175583      0.664297      4.577740
  H      -5.172376     -1.503360      1.239092
  H      -7.946740     -7.557952      4.227726
  H      -9.475562     -7.134121      6.164424
  H      -7.377741     -3.334135      3.860906
  H      -1.507486     -5.510588      6.606238
  H      -1.501117     -5.254438      9.086781
  H      -5.821402     -5.635589      6.640163
  N      -5.229305     -3.061495      5.183591
  N      -6.188420     -2.018644      4.702951
  H      -5.584218     -1.200099      4.531649
  H      -7.890623     -0.951793      5.111979
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.574156445591
  N      -3.685278     -3.247364      2.660006
  C      -3.173504     -3.775134      1.382581
  C      -2.769564     -5.222028      1.588785
  N      -3.841486     -5.942945      2.325948
  C      -4.933266     -6.393910      1.422173
  C      -6.189199     -6.627078      2.242982
  N      -6.377051     -5.468414      3.107407
  Mo     -4.744156     -4.475239      3.825005
  N      -3.702779     -5.654467      5.031048
  C      -2.688655     -6.518688      4.408468
  C      -3.275124     -7.066206      3.118418
  H      -2.438650     -7.358520      5.076778
  H      -1.748220     -5.971732      4.213666
  H      -4.091717     -7.757546      3.362582
  H      -2.521434     -7.617540      2.529666
  H      -7.051442     -6.751348      1.564217
  H      -6.114103     -7.565706      2.824758
  H      -5.119879     -5.586144      0.700746
  H      -4.626420     -7.292621      0.860510
  H      -2.295852     -3.192925      1.056943
  H      -3.924974     -3.686613      0.575749
  H      -1.863307     -5.250406      2.208313
  H      -2.547549     -5.728192      0.633943
  C      -3.664524     -1.834132      2.756468
  C      -2.825133     -1.214629      3.704124
  C      -2.807257      0.169400      3.849542
  C      -3.637927      0.931225      3.046922
  F      -3.641516      2.277974      3.217413
  C      -4.489716      0.354675      2.089693
  C      -5.466146      1.134313      1.318667
  O      -6.204447      0.672638      0.455706
  C      -5.652520      2.633623      1.587868
  O      -5.204112      3.487717      0.862290
  C      -6.612600      2.910584      2.775558
  O      -7.122768      2.032690      3.414085
  Cl     -6.838386      4.637325      3.099281
  C      -4.481531     -1.042867      1.952233
  C      -7.493606     -5.446190      3.960414
  C      -8.127205     -6.545214      4.572225
  C      -8.965098     -6.310978      5.673645
  C      -9.084111     -5.040464      6.220149
  F      -9.818423     -4.907106      7.338375
  C      -8.443758     -3.918030      5.623297
  C      -8.194175     -2.652496      6.344247
  O      -8.701278     -2.391913      7.417239
  C      -7.193512     -1.580475      5.692365
  O      -4.708015     -2.779440      6.284217
  C      -6.637365     -0.641560      6.776658
  O      -6.927120     -0.462192      7.905740
  Cl     -5.390717      0.551109      6.012203
  C      -7.820494     -4.166994      4.409278
  C      -3.667519     -5.567448      6.436117
  C      -2.454708     -5.494336      7.148172
  C      -2.439586     -5.341484      8.532963
  C      -3.645054     -5.271019      9.210282
  F      -3.624812     -5.085415     10.555115
  C      -4.878115     -5.382911      8.544667
  C      -6.162360     -5.326031      9.250722
  O      -7.259702     -5.411254      8.711848
  C      -6.250428     -5.207245     10.780402
  O      -6.358704     -6.159637     11.513009
  C      -6.339071     -3.732296     11.256423
  O      -6.109947     -2.808639     10.532651
  Cl     -6.699232     -3.572216     12.987491
  C      -4.866828     -5.537181      7.153327
  H      -2.212011     -1.839077      4.354428
  H      -2.177247      0.656268      4.593614
  H      -5.163913     -1.500366      1.234669
  H      -7.939625     -7.567830      4.242687
  H      -9.475610     -7.136495      6.170601
  H      -7.377496     -3.344097      3.858441
  H      -1.507064     -5.514905      6.608459
  H      -1.505529     -5.254918      9.088377
  H      -5.821364     -5.611625      6.628914
  N      -5.233968     -3.061778      5.175625
  N      -6.192804     -2.023667      4.694612
  H      -5.594215     -1.200182      4.521399
  H      -7.891236     -0.945392      5.110437
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.574868785915
  N      -3.685782     -3.246837      2.657284
  C      -3.177478     -3.774907      1.378535
  C      -2.773691     -5.222036      1.584214
  N      -3.845190     -5.943158      2.323467
  C      -4.936372     -6.399515      1.421702
  C      -6.190402     -6.634877      2.246365
  N      -6.379224     -5.475600      3.109956
  Mo     -4.746535     -4.472746      3.820521
  N      -3.703370     -5.646372      5.027304
  C      -2.687827     -6.510373      4.406087
  C      -3.275184     -7.063269      3.118149
  H      -2.434709     -7.347947      5.076039
  H      -1.748646     -5.962094      4.209476
  H      -4.089943     -7.755359      3.366355
  H      -2.521693     -7.615330      2.530000
  H      -7.053903     -6.762503      1.569761
  H      -6.112445     -7.573258      2.828152
  H      -5.127589     -5.593396      0.699544
  H      -4.626423     -7.297268      0.860531
  H      -2.301380     -3.192572      1.049111
  H      -3.931793     -3.686943      0.574233
  H      -1.866865     -5.249991      2.202937
  H      -2.551787     -5.728511      0.629658
  C      -3.663822     -1.833819      2.758223
  C      -2.830295     -1.219787      3.714960
  C      -2.810442      0.163235      3.866598
  C      -3.633902      0.929038      3.060392
  F      -3.637633      2.274662      3.235997
  C      -4.478337      0.357158      2.093837
  C      -5.445182      1.142400      1.319669
  O      -6.181424      0.688022      0.449946
  C      -5.636378      2.638314      1.595942
  O      -5.171333      3.497046      0.886062
  C      -6.621843      2.903337      2.764786
  O      -7.142046      2.019442      3.387342
  Cl     -6.857753      4.628096      3.096816
  C      -4.472781     -1.039807      1.949903
  C      -7.495378     -5.455589      3.963172
  C      -8.126143     -6.552852      4.580318
  C      -8.966107     -6.314263      5.679748
  C      -9.092641     -5.042848      6.219633
  F      -9.829245     -4.906304      7.336372
  C      -8.453739     -3.920902      5.619361
  C      -8.210639     -2.648169      6.328523
  O      -8.733813     -2.368913      7.389949
  C      -7.198880     -1.584860      5.683028
  O      -4.721400     -2.777111      6.279005
  C      -6.616851     -0.675049      6.777703
  O      -6.848630     -0.536081      7.924554
  Cl     -5.422451      0.569097      5.989935
  C      -7.825349     -4.174344      4.408821
  C      -3.667084     -5.556655      6.432513
  C      -2.454776     -5.488539      7.144542
  C      -2.438324     -5.336021      8.529974
  C      -3.643537     -5.261401      9.206589
  F      -3.622635     -5.075946     10.551538
  C      -4.877587     -5.367400      8.540330
  C      -6.160126     -5.301702      9.248461
  O      -7.259431     -5.363693      8.710303
  C      -6.246174     -5.203745     10.779311
  O      -6.350298     -6.167054     11.498289
  C      -6.333015     -3.735634     11.275789
  O      -6.101989     -2.802231     10.565190
  Cl     -6.694312     -3.599518     13.008805
  C      -4.866775     -5.521449      7.149814
  H      -2.224382     -1.849123      4.367297
  H      -2.186138      0.646758      4.617565
  H      -5.149722     -1.494336      1.225490
  H      -7.934700     -7.576922      4.257798
  H      -9.473474     -7.139748      6.180238
  H      -7.381141     -3.353991      3.854281
  H      -1.506795     -5.513421      6.605506
  H      -1.503728     -5.253826      9.084970
  H      -5.821191     -5.592583      6.624617
  N      -5.240440     -3.061236      5.167109
  N      -6.199034     -2.028144      4.684165
  H      -5.605110     -1.201057      4.508477
  H      -7.890636     -0.939016      5.107114
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.575700015824
  N      -3.672943     -3.256015      2.657892
  C      -3.162352     -3.779039      1.381892
  C      -2.760439     -5.225849      1.585848
  N      -3.832859     -5.945962      2.327320
  C      -4.927160     -6.395027      1.426610
  C      -6.184034     -6.621111      2.252334
  N      -6.371183     -5.461924      3.116048
  Mo     -4.733211     -4.466937      3.823589
  N      -3.692695     -5.650839      5.025606
  C      -2.681804     -6.523054      4.410004
  C      -3.265750     -7.071024      3.116904
  H      -2.435459     -7.361704      5.080709
  H      -1.738197     -5.979487      4.219555
  H      -4.085384     -7.757296      3.367048
  H      -2.518247     -7.623924      2.523137
  H      -7.050449     -6.751011      1.580825
  H      -6.101736     -7.557260      2.837933
  H      -5.112240     -5.586558      0.704949
  H      -4.623419     -7.295145      0.866228
  H      -2.283461     -3.199008      1.054686
  H      -3.918850     -3.681149      0.580014
  H      -1.855106     -5.256589      2.207170
  H      -2.538900     -5.735498      0.633229
  C      -3.661305     -1.843990      2.770960
  C      -2.838417     -1.224490      3.733961
  C      -2.831888      0.158332      3.895461
  C      -3.666615      0.920130      3.089836
  F      -3.697568      2.262847      3.271240
  C      -4.494893      0.344781      2.116799
  C      -5.453324      1.124443      1.328732
  O      -6.163863      0.664834      0.438040
  C      -5.685745      2.619950      1.601337
  O      -5.218474      3.493851      0.913841
  C      -6.706589      2.848887      2.744160
  O      -7.224077      1.946066      3.336698
  Cl     -7.012187      4.561344      3.085607
  C      -4.469899     -1.051592      1.957995
  C      -7.492191     -5.433090      3.961720
  C      -8.149272     -6.513171      4.571075
  C      -8.999309     -6.265035      5.659955
  C      -9.121574     -4.995836      6.202061
  F      -9.859228     -4.842159      7.316978
  C      -8.469891     -3.887487      5.606335
  C      -8.200173     -2.605013      6.299400
  O      -8.724218     -2.302938      7.356606
  C      -7.171675     -1.570500      5.666065
  O      -4.700918     -2.779302      6.258477
  C      -6.554226     -0.701263      6.770225
  O      -6.737971     -0.619692      7.929800
  Cl     -5.354965      0.566590      5.989182
  C      -7.818696     -4.141727      4.399599
  C      -3.661855     -5.563905      6.432580
  C      -2.450439     -5.511131      7.147491
  C      -2.430961     -5.367651      8.535783
  C      -3.638731     -5.282617      9.208731
  F      -3.620305     -5.112359     10.556415
  C      -4.871098     -5.366260      8.540649
  C      -6.159056     -5.284892      9.243721
  O      -7.254326     -5.322324      8.696026
  C      -6.243553     -5.192581     10.775761
  O      -6.349589     -6.168855     11.477222
  C      -6.304959     -3.734963     11.294636
  O      -6.089079     -2.790805     10.595006
  Cl     -6.688262     -3.620957     13.025980
  C      -4.861131     -5.514789      7.149687
  H      -2.223692     -1.855773      4.376592
  H      -2.218535      0.648019      4.650915
  H      -5.137966     -1.505617      1.225600
  H      -7.971884     -7.542480      4.258099
  H      -9.517550     -7.088689      6.152886
  H      -7.370308     -3.319217      3.847285
  H      -1.500682     -5.548424      6.612122
  H      -1.494233     -5.306043      9.088816
  H      -5.817008     -5.575691      6.625405
  N      -5.225936     -3.054837      5.148027
  N      -6.176903     -2.008101      4.670333
  H      -5.575245     -1.188945      4.495821
  H      -7.846902     -0.906822      5.092784
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.576865750955
  N      -3.679829     -3.254084      2.655453
  C      -3.174374     -3.778941      1.377521
  C      -2.769101     -5.224539      1.582661
  N      -3.838217     -5.944804      2.327082
  C      -4.931787     -6.399758      1.428868
  C      -6.185710     -6.631103      2.256079
  N      -6.376354     -5.472135      3.118951
  Mo     -4.742142     -4.465918      3.821210
  N      -3.696638     -5.643046      5.026145
  C      -2.683683     -6.512280      4.409781
  C      -3.267783     -7.065427      3.120006
  H      -2.433078     -7.348220      5.082343
  H      -1.742930     -5.965105      4.215511
  H      -4.085132     -7.753490      3.372177
  H      -2.518580     -7.618030      2.527842
  H      -7.052166     -6.763656      1.585002
  H      -6.099737     -7.566667      2.842050
  H      -5.121516     -5.593026      0.706562
  H      -4.625034     -7.299543      0.869330
  H      -2.297694     -3.198041      1.046332
  H      -3.933617     -3.684906      0.578114
  H      -1.861928     -5.252966      2.201239
  H      -2.549948     -5.734816      0.629671
  C      -3.660287     -1.842067      2.766418
  C      -2.835981     -1.229001      3.732114
  C      -2.817311      0.153774      3.890357
  C      -3.642715      0.922175      3.081956
  F      -3.661415      2.265446      3.263409
  C      -4.475708      0.353265      2.108607
  C      -5.433918      1.138971      1.324728
  O      -6.146648      0.684690      0.433822
  C      -5.653548      2.636327      1.597637
  O      -5.177936      3.506870      0.911583
  C      -6.675701      2.875984      2.737965
  O      -7.199567      1.979066      3.333860
  Cl     -6.966920      4.591716      3.074478
  C      -4.460658     -1.043326      1.951103
  C      -7.496853     -5.447585      3.965873
  C      -8.146041     -6.532119      4.576637
  C      -8.997813     -6.286559      5.665202
  C      -9.128080     -5.014364      6.202559
  F      -9.868845     -4.861861      7.314988
  C      -8.481661     -3.903825      5.603983
  C      -8.230630     -2.614320      6.289164
  O      -8.779866     -2.299994      7.329167
  C      -7.192112     -1.580053      5.663613
  O      -4.727246     -2.774425      6.263129
  C      -6.565903     -0.725781      6.776397
  O      -6.704398     -0.680148      7.943852
  Cl     -5.446249      0.608430      5.986690
  C      -7.829337     -4.159557      4.400459
  C      -3.660368     -5.553436      6.432479
  C      -2.445897     -5.496690      7.142320
  C      -2.421845     -5.351607      8.529882
  C      -3.626484     -5.269465      9.208569
  F      -3.602888     -5.098229     10.555713
  C      -4.861236     -5.357070      8.545590
  C      -6.145978     -5.278322      9.253017
  O      -7.243817     -5.314038      8.709777
  C      -6.228545     -5.200223     10.785406
  O      -6.323020     -6.181990     11.480860
  C      -6.314707     -3.746812     11.313591
  O      -6.104129     -2.795331     10.622181
  Cl     -6.700619     -3.649974     13.045212
  C      -4.856736     -5.505745      7.154111
  H      -2.229324     -1.864225      4.378386
  H      -2.201616      0.638308      4.647285
  H      -5.131192     -1.492123      1.217587
  H      -7.962664     -7.560632      4.263947
  H      -9.511853     -7.111280      6.160572
  H      -7.383047     -3.339038      3.846856
  H      -1.498374     -5.531489      6.602948
  H      -1.483138     -5.286168      9.079331
  H      -5.814479     -5.568174      6.633523
  N      -5.242496     -3.053968      5.147780
  N      -6.196370     -2.016092      4.665133
  H      -5.600066     -1.191626      4.490588
  H      -7.864008     -0.909135      5.093726
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.578057646629
  N      -3.680396     -3.252704      2.654230
  C      -3.178479     -3.778319      1.374723
  C      -2.773343     -5.223686      1.580734
  N      -3.839434     -5.942480      2.327769
  C      -4.935939     -6.396694      1.432963
  C      -6.186308     -6.632223      2.260454
  N      -6.378179     -5.474528      3.123909
  Mo     -4.747107     -4.465038      3.820701
  N      -3.698118     -5.640597      5.029045
  C      -2.685931     -6.508377      4.410293
  C      -3.269681     -7.061437      3.122502
  H      -2.434999     -7.343405      5.083933
  H      -1.746395     -5.959883      4.212832
  H      -4.086949     -7.749752      3.373334
  H      -2.519063     -7.613640      2.531178
  H      -7.053170     -6.764767      1.589756
  H      -6.096520     -7.567018      2.847052
  H      -5.126818     -5.589451      0.711773
  H      -4.632276     -7.297602      0.872648
  H      -2.301185     -3.198387      1.043774
  H      -3.937608     -3.685645      0.575714
  H      -1.864213     -5.252277      2.196150
  H      -2.559056     -5.734751      0.626630
  C      -3.655519     -1.841304      2.763291
  C      -2.840389     -1.227757      3.736110
  C      -2.825425      0.154660      3.894727
  C      -3.640977      0.924659      3.079288
  F      -3.659155      2.268392      3.264208
  C      -4.464779      0.357520      2.096384
  C      -5.418953      1.142528      1.301325
  O      -6.126450      0.682629      0.411894
  C      -5.636614      2.641665      1.574928
  O      -5.158226      3.513798      0.893604
  C      -6.665453      2.887359      2.710060
  O      -7.190842      1.992827      3.308560
  Cl     -6.952697      4.603266      3.041994
  C      -4.448496     -1.039196      1.942134
  C      -7.498520     -5.447488      3.971917
  C      -8.146466     -6.535146      4.581566
  C      -8.996649     -6.291709      5.671893
  C      -9.125021     -5.013666      6.205219
  F      -9.860381     -4.860507      7.319812
  C      -8.483730     -3.903790      5.600522
  C      -8.250936     -2.607538      6.279465
  O      -8.824898     -2.283549      7.301263
  C      -7.199467     -1.577809      5.665611
  O      -4.739881     -2.767723      6.269761
  C      -6.569662     -0.737162      6.788840
  O      -6.675165     -0.733801      7.961604
  Cl     -5.516795      0.640211      6.006001
  C      -7.832280     -4.164095      4.400841
  C      -3.659072     -5.553127      6.434302
  C      -2.440354     -5.494511      7.139520
  C      -2.413252     -5.352533      8.525811
  C      -3.614651     -5.273226      9.211450
  F      -3.586057     -5.104547     10.558339
  C      -4.850790     -5.359461      8.553466
  C      -6.135390     -5.282597      9.259806
  O      -7.233243     -5.307123      8.715137
  C      -6.220785     -5.218201     10.792511
  O      -6.318576     -6.204597     11.480926
  C      -6.319533     -3.769747     11.332528
  O      -6.098098     -2.811804     10.653611
  Cl     -6.712761     -3.690032     13.063320
  C      -4.851751     -5.504508      7.159773
  H      -2.240337     -1.861243      4.390121
  H      -2.217172      0.636972      4.659275
  H      -5.115538     -1.484784      1.203046
  H      -7.962743     -7.563242      4.266434
  H      -9.509155     -7.114878      6.170794
  H      -7.390165     -3.345394      3.846950
  H      -1.495422     -5.526083      6.595791
  H      -1.472655     -5.285887      9.072433
  H      -5.812056     -5.564109      6.643844
  N      -5.249843     -3.048763      5.150895
  N      -6.203751     -2.012854      4.663483
  H      -5.606560     -1.188846      4.489169
  H      -7.860514     -0.892832      5.098392
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.579072517697
  N      -3.676936     -3.254777      2.650740
  C      -3.177630     -3.780537      1.370522
  C      -2.772196     -5.225855      1.577762
  N      -3.836178     -5.943344      2.327910
  C      -4.935697     -6.396438      1.436267
  C      -6.184010     -6.632431      2.265429
  N      -6.375595     -5.474554      3.128447
  Mo     -4.745666     -4.464076      3.819162
  N      -3.695005     -5.639966      5.029680
  C      -2.683886     -6.508515      4.410804
  C      -3.267122     -7.061800      3.123556
  H      -2.433575     -7.342742      5.085599
  H      -1.744414     -5.960158      4.211938
  H      -4.084908     -7.749557      3.374180
  H      -2.516533     -7.614130      2.532269
  H      -7.051936     -6.765973      1.596435
  H      -6.091099     -7.565928      2.853601
  H      -5.126649     -5.589050      0.715327
  H      -4.635612     -7.298758      0.875886
  H      -2.300038     -3.201387      1.039092
  H      -3.937635     -3.688038      0.572432
  H      -1.861700     -5.254028      2.191177
  H      -2.561053     -5.738439      0.623686
  C      -3.651570     -1.843870      2.761583
  C      -2.845870     -1.229646      3.741629
  C      -2.839679      0.152475      3.905576
  C      -3.652302      0.923023      3.087269
  F      -3.678586      2.265867      3.278999
  C      -4.465055      0.356624      2.094933
  C      -5.417779      1.138853      1.292076
  O      -6.109242      0.676258      0.392608
  C      -5.639797      2.639204      1.562951
  O      -5.158165      3.513398      0.887121
  C      -6.679367      2.885565      2.688975
  O      -7.205954      1.991229      3.285828
  Cl     -6.978788      4.600341      3.010564
  C      -4.440423     -1.039545      1.936950
  C      -7.496802     -5.441996      3.975792
  C      -8.149358     -6.525988      4.588427
  C      -9.001155     -6.278839      5.676307
  C      -9.128279     -4.996913      6.203232
  F      -9.862016     -4.837728      7.317700
  C      -8.487289     -3.891826      5.592839
  C      -8.262313     -2.588173      6.261489
  O      -8.854397     -2.246962      7.267178
  C      -7.196261     -1.571100      5.661317
  O      -4.741457     -2.763676      6.266800
  C      -6.554932     -0.758997      6.798898
  O      -6.626713     -0.810893      7.973788
  Cl     -5.551346      0.657691      6.038325
  C      -7.830681     -4.157909      4.397147
  C      -3.656515     -5.552867      6.434596
  C      -2.436003     -5.499161      7.139203
  C      -2.408008     -5.360990      8.525258
  C      -3.608421     -5.278520      9.213033
  F      -3.578432     -5.116036     10.560559
  C      -4.844533     -5.355417      8.556027
  C      -6.130055     -5.272846      9.260202
  O      -7.226909     -5.282891      8.713043
  C      -6.215847     -5.227447     10.793559
  O      -6.314376     -6.223426     11.468090
  C      -6.318006     -3.787782     11.354749
  O      -6.093409     -2.819409     10.692150
  Cl     -6.721535     -3.734580     13.084529
  C      -4.847669     -5.497371      7.160997
  H      -2.247504     -1.862217      4.398206
  H      -2.239662      0.633931      4.677162
  H      -5.101736     -1.482767      1.191171
  H      -7.967682     -7.555729      4.277383
  H      -9.515206     -7.099164      6.177933
  H      -7.391307     -3.339636      3.841414
  H      -1.491787     -5.533716      6.594618
  H      -1.466586     -5.299941      9.071287
  H      -5.809533     -5.550680      6.647347
  N      -5.249940     -3.043538      5.145982
  N      -6.201513     -2.005013      4.657331
  H      -5.600918     -1.184224      4.483144
  H      -7.841474     -0.867898      5.098873
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.580043525712
  N      -3.667701     -3.259510      2.646069
  C      -3.168451     -3.785463      1.366413
  C      -2.764122     -5.231490      1.576201
  N      -3.827317     -5.946529      2.328455
  C      -4.931470     -6.393505      1.439139
  C      -6.179491     -6.626063      2.268487
  N      -6.367456     -5.467232      3.131105
  Mo     -4.737998     -4.465266      3.818469
  N      -3.688548     -5.646715      5.031731
  C      -2.680282     -6.517553      4.412387
  C      -3.262733     -7.067270      3.123747
  H      -2.433805     -7.352842      5.087236
  H      -1.739122     -5.971754      4.213687
  H      -4.082890     -7.753380      3.371078
  H      -2.512334     -7.620036      2.532561
  H      -7.048023     -6.757607      1.600127
  H      -6.087062     -7.558204      2.858738
  H      -5.118396     -5.584893      0.718672
  H      -4.639094     -7.298372      0.878282
  H      -2.289107     -3.207789      1.037117
  H      -3.927081     -3.692788      0.567089
  H      -1.852794     -5.259688      2.188412
  H      -2.555795     -5.745889      0.622395
  C      -3.646793     -1.849353      2.759631
  C      -2.859745     -1.230931      3.751764
  C      -2.876892      0.150585      3.926271
  C      -3.688284      0.918058      3.103674
  F      -3.735038      2.259056      3.306730
  C      -4.477988      0.349337      2.094178
  C      -5.427032      1.123633      1.274516
  O      -6.092128      0.653543      0.360820
  C      -5.664197      2.622976      1.547850
  O      -5.183299      3.505162      0.882636
  C      -6.717305      2.860695      2.664574
  O      -7.241955      1.961045      3.254288
  Cl     -7.037140      4.570521      2.982204
  C      -4.432674     -1.045367      1.929710
  C      -7.490920     -5.421559      3.975913
  C      -8.153960     -6.499012      4.590899
  C      -9.008152     -6.245032      5.674450
  C      -9.129219     -4.957896      6.193629
  F      -9.862989     -4.789680      7.306540
  C      -8.484235     -3.860579      5.577230
  C      -8.264382     -2.550987      6.237044
  O      -8.872440     -2.190686      7.226644
  C      -7.179776     -1.550935      5.656773
  O      -4.726736     -2.759082      6.259701
  C      -6.536969     -0.769171      6.815145
  O      -6.606102     -0.885241      7.987778
  Cl     -5.555770      0.664238      6.105819
  C      -7.821509     -4.135406      4.386611
  C      -3.653640     -5.560988      6.436318
  C      -2.431722     -5.518071      7.142486
  C      -2.404603     -5.385268      8.528074
  C      -3.604429     -5.295171      9.216804
  F      -3.573770     -5.141327     10.565278
  C      -4.839644     -5.356155      8.559222
  C      -6.126837     -5.264238      9.259983
  O      -7.221666     -5.253771      8.709414
  C      -6.210660     -5.235685     10.794267
  O      -6.317253     -6.239978     11.455225
  C      -6.300924     -3.804593     11.378135
  O      -6.065523     -2.827603     10.732663
  Cl     -6.712456     -3.775509     13.107118
  C      -4.843837     -5.493459      7.162146
  H      -2.260398     -1.858381      4.412474
  H      -2.293030      0.632733      4.709785
  H      -5.080784     -1.488080      1.171849
  H      -7.977958     -7.530916      4.283468
  H      -9.528481     -7.059772      6.178220
  H      -7.385275     -3.316022      3.829987
  H      -1.487965     -5.559637      6.597851
  H      -1.463256     -5.334463      9.075560
  H      -5.807408     -5.535893      6.650802
  N      -5.239558     -3.034997      5.139926
  N      -6.185216     -1.985498      4.650907
  H      -5.574030     -1.174303      4.478823
  H      -7.800196     -0.824400      5.098645
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.580867492920
  N      -3.664830     -3.261790      2.641110
  C      -3.167893     -3.788273      1.361249
  C      -2.763586     -5.234637      1.571642
  N      -3.826151     -5.949119      2.326896
  C      -4.931662     -6.398215      1.439957
  C      -6.178950     -6.629079      2.273095
  N      -6.364480     -5.468367      3.134207
  Mo     -4.734339     -4.464763      3.815390
  N      -3.684161     -5.644411      5.029148
  C      -2.676094     -6.516222      4.410839
  C      -3.259921     -7.068718      3.123024
  H      -2.428321     -7.350640      5.086293
  H      -1.735040     -5.970767      4.211121
  H      -4.079382     -7.754899      3.372659
  H      -2.510161     -7.622259      2.531988
  H      -7.048907     -6.762110      1.606977
  H      -6.085988     -7.560425      2.864430
  H      -5.120676     -5.590820      0.718605
  H      -4.639450     -7.303199      0.879550
  H      -2.289457     -3.210762      1.029284
  H      -3.928358     -3.696301      0.563431
  H      -1.851274     -5.262057      2.182472
  H      -2.556196     -5.749992      0.618329
  C      -3.647482     -1.851990      2.759420
  C      -2.875173     -1.237042      3.765474
  C      -2.903587      0.143019      3.952093
  C      -3.709205      0.912278      3.124979
  F      -3.768121      2.250759      3.337930
  C      -4.480314      0.346742      2.099516
  C      -5.419304      1.122271      1.271195
  O      -6.069749      0.656044      0.344020
  C      -5.668622      2.617990      1.548935
  O      -5.180367      3.505349      0.895714
  C      -6.738846      2.843006      2.651165
  O      -7.265423      1.937042      3.229159
  Cl     -7.076244      4.549477      2.970296
  C      -4.425908     -1.046429      1.924651
  C      -7.488474     -5.418090      3.978025
  C      -8.152859     -6.490841      4.598477
  C      -9.008389     -6.229618      5.679417
  C      -9.133214     -4.940945      6.190951
  F      -9.866908     -4.766489      7.303663
  C      -8.487775     -3.846871      5.569448
  C      -8.271898     -2.529932      6.214394
  O      -8.896022     -2.145307      7.186175
  C      -7.170966     -1.544775      5.647435
  O      -4.722694     -2.755986      6.250011
  C      -6.510373     -0.799475      6.819556
  O      -6.543162     -0.967001      7.987532
  Cl     -5.562284      0.668432      6.138091
  C      -7.819626     -4.127890      4.382013
  C      -3.650556     -5.556531      6.433827
  C      -2.430541     -5.522994      7.142860
  C      -2.404676     -5.392251      8.529303
  C      -3.605460     -5.294247      9.214879
  F      -3.576096     -5.141864     10.563726
  C      -4.840147     -5.342971      8.553836
  C      -6.127073     -5.237749      9.253997
  O      -7.220752     -5.200571      8.702630
  C      -6.211490     -5.233711     10.788442
  O      -6.325534     -6.249345     11.430748
  C      -6.286391     -3.812783     11.398272
  O      -6.037735     -2.826664     10.772023
  Cl     -6.707583     -3.810946     13.125504
  C      -4.842078     -5.479050      7.157489
  H      -2.280801     -1.866582      4.428633
  H      -2.333233      0.622484      4.747037
  H      -5.061265     -1.487117      1.155025
  H      -7.976217     -7.524609      4.297988
  H      -9.528087     -7.042338      6.187403
  H      -7.382419     -3.310180      3.822069
  H      -1.485753     -5.571719      6.600503
  H      -1.464234     -5.349450      9.078837
  H      -5.804993     -5.513700      6.644170
  N      -5.235400     -3.031662      5.130064
  N      -6.177638     -1.980403      4.640583
  H      -5.564095     -1.170557      4.468849
  H      -7.776709     -0.801738      5.095917
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.581579533079
  N      -3.660274     -3.266288      2.633226
  C      -3.163176     -3.794848      1.355237
  C      -2.757862     -5.241050      1.567859
  N      -3.819697     -5.954892      2.326856
  C      -4.927163     -6.404637      1.441783
  C      -6.175531     -6.628964      2.279233
  N      -6.353934     -5.463676      3.136461
  Mo     -4.722225     -4.467763      3.815047
  N      -3.672788     -5.648620      5.027712
  C      -2.665744     -6.521708      4.409906
  C      -3.252172     -7.075112      3.121497
  H      -2.417275     -7.357432      5.083637
  H      -1.723716     -5.978148      4.210675
  H      -4.070805     -7.762081      3.372023
  H      -2.502881     -7.628802      2.530279
  H      -7.046952     -6.762375      1.615234
  H      -6.086074     -7.558798      2.873201
  H      -5.117138     -5.598855      0.718770
  H      -4.635883     -7.309766      0.881940
  H      -2.285857     -3.216996      1.020814
  H      -3.924174     -3.705615      0.557221
  H      -1.844417     -5.265889      2.177200
  H      -2.550430     -5.757905      0.615681
  C      -3.655026     -1.856805      2.753790
  C      -2.904718     -1.244607      3.778448
  C      -2.955867      0.133053      3.983017
  C      -3.758356      0.901227      3.151327
  F      -3.841159      2.235427      3.378246
  C      -4.501809      0.337289      2.104624
  C      -5.428695      1.111975      1.265470
  O      -6.053962      0.651533      0.316250
  C      -5.692786      2.602707      1.546180
  O      -5.200807      3.492380      0.897881
  C      -6.770338      2.817157      2.641543
  O      -7.293277      1.906049      3.214352
  Cl     -7.127202      4.520994      2.955086
  C      -4.427050     -1.052799      1.913176
  C      -7.479951     -5.401367      3.975917
  C      -8.146948     -6.467648      4.601862
  C      -9.005081     -6.196643      5.677842
  C      -9.133929     -4.908056      6.180458
  F      -9.868894     -4.725607      7.292430
  C      -8.486014     -3.817099      5.554431
  C      -8.272790     -2.496899      6.186548
  O      -8.910231     -2.089136      7.142468
  C      -7.150369     -1.525981      5.641465
  O      -4.692515     -2.752871      6.229350
  C      -6.487121     -0.813283      6.835390
  O      -6.531780     -1.026469      7.996767
  Cl     -5.525914      0.656984      6.212604
  C      -7.810486     -4.103589      4.370039
  C      -3.643661     -5.559888      6.432408
  C      -2.429727     -5.545008      7.149866
  C      -2.409139     -5.418207      8.538049
  C      -3.612875     -5.304391      9.214582
  F      -3.588315     -5.157262     10.564597
  C      -4.845255     -5.330505      8.544185
  C      -6.131591     -5.205153      9.243862
  O      -7.223211     -5.138505      8.692277
  C      -6.215294     -5.228834     10.778720
  O      -6.347674     -6.256035     11.398818
  C      -6.256275     -3.819936     11.419909
  O      -5.986455     -2.825622     10.816000
  Cl     -6.687540     -3.846748     13.144804
  C      -4.839565     -5.464541      7.149665
  H      -2.310879     -1.873285      4.442604
  H      -2.404944      0.610302      4.792689
  H      -5.040840     -1.494241      1.126935
  H      -7.968933     -7.502848      4.308020
  H      -9.525619     -7.006597      6.190100
  H      -7.372587     -3.285514      3.806614
  H      -1.482185     -5.607506      6.613428
  H      -1.472392     -5.391244      9.094496
  H      -5.799799     -5.485080      6.630275
  N      -5.218259     -3.026395      5.117722
  N      -6.156081     -1.964551      4.633713
  H      -5.532838     -1.160827      4.466143
  H      -7.734045     -0.762624      5.097111
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.582285261507
  N      -3.662248     -3.265176      2.629325
  C      -3.170248     -3.795190      1.349999
  C      -2.762218     -5.240480      1.564131
  N      -3.820596     -5.954567      2.326778
  C      -4.929145     -6.408362      1.445185
  C      -6.174614     -6.634678      2.285060
  N      -6.353146     -5.468794      3.141112
  Mo     -4.723259     -4.468231      3.813797
  N      -3.670698     -5.645230      5.028226
  C      -2.662597     -6.515665      4.408876
  C      -3.249215     -7.071732      3.122545
  H      -2.410770     -7.350216      5.082884
  H      -1.722520     -5.969563      4.207076
  H      -4.065527     -7.760806      3.374363
  H      -2.498521     -7.624157      2.531632
  H      -7.047011     -6.769547      1.622579
  H      -6.082472     -7.563762      2.879767
  H      -5.123050     -5.603983      0.721745
  H      -4.636841     -7.313686      0.885917
  H      -2.294941     -3.216834      1.011264
  H      -3.934002     -3.709566      0.554411
  H      -1.847010     -5.263375      2.170855
  H      -2.557145     -5.758305      0.611806
  C      -3.656697     -1.856212      2.749956
  C      -2.919122     -1.246459      3.785557
  C      -2.973120      0.130160      3.993542
  C      -3.765007      0.900669      3.154716
  F      -3.849690      2.234663      3.384660
  C      -4.495627      0.340033      2.097140
  C      -5.413277      1.118710      1.251075
  O      -6.034745      0.660370      0.299084
  C      -5.676853      2.608811      1.536410
  O      -5.177711      3.499710      0.895441
  C      -6.761630      2.823420      2.624836
  O      -7.286799      1.912045      3.195756
  Cl     -7.118556      4.527136      2.937971
  C      -4.418126     -1.049400      1.902036
  C      -7.479435     -5.404425      3.980708
  C      -8.142651     -6.470197      4.613068
  C      -9.003315     -6.196743      5.686709
  C      -9.138299     -4.904116      6.179332
  F      -9.876987     -4.715688      7.287100
  C      -8.492957     -3.815582      5.547189
  C      -8.295605     -2.487693      6.165420
  O      -8.955670     -2.063191      7.097694
  C      -7.158195     -1.524704      5.636854
  O      -4.697124     -2.746624      6.226875
  C      -6.492789     -0.835810      6.844480
  O      -6.522555     -1.083155      8.000266
  Cl     -5.563960      0.660809      6.250997
  C      -7.812935     -4.107201      4.367855
  C      -3.639541     -5.557453      6.432404
  C      -2.424608     -5.551963      7.148426
  C      -2.401999     -5.428053      8.536545
  C      -3.603778     -5.307684      9.215248
  F      -3.577052     -5.164935     10.565547
  C      -4.836868     -5.323143      8.546157
  C      -6.120690     -5.188425      9.247311
  O      -7.211260     -5.095005      8.697162
  C      -6.207188     -5.233694     10.781287
  O      -6.341706     -6.268740     11.387635
  C      -6.249941     -3.833483     11.441408
  O      -5.970468     -2.832100     10.853838
  Cl     -6.692124     -3.883072     13.163011
  C      -4.833901     -5.454203      7.151177
  H      -2.332937     -1.876045      4.455524
  H      -2.431771      0.604271      4.811506
  H      -5.022077     -1.487948      1.106514
  H      -7.959613     -7.506069      4.324623
  H      -9.521190     -7.005197      6.203843
  H      -7.377618     -3.291145      3.801665
  H      -1.478202     -5.619949      6.610699
  H      -1.464583     -5.408537      9.092302
  H      -5.794731     -5.466733      6.632722
  N      -5.223271     -3.023380      5.114899
  N      -6.163000     -1.963424      4.629857
  H      -5.539754     -1.159764      4.462795
  H      -7.728116     -0.744905      5.099877
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.582968659879
  N      -3.668324     -3.262769      2.623845
  C      -3.183288     -3.795955      1.343260
  C      -2.769049     -5.238479      1.560487
  N      -3.820686     -5.953673      2.329666
  C      -4.931082     -6.413550      1.453947
  C      -6.172169     -6.639709      2.297663
  N      -6.349836     -5.471511      3.150243
  Mo     -4.720561     -4.468959      3.818108
  N      -3.661695     -5.642126      5.031364
  C      -2.652723     -6.508430      4.408214
  C      -3.241074     -7.066767      3.124900
  H      -2.395893     -7.342167      5.081408
  H      -1.715301     -5.958831      4.202861
  H      -4.053436     -7.759201      3.379999
  H      -2.489680     -7.616381      2.531951
  H      -7.046550     -6.777005      1.638291
  H      -6.076297     -7.566834      2.894984
  H      -5.129982     -5.611994      0.728851
  H      -4.637698     -7.320130      0.896981
  H      -2.311463     -3.216551      0.997314
  H      -3.951455     -3.716428      0.551534
  H      -1.851156     -5.256694      2.163314
  H      -2.566889     -5.758717      0.608608
  C      -3.663869     -1.853906      2.738721
  C      -2.936110     -1.244127      3.781777
  C      -2.987568      0.132262      3.987589
  C      -3.770002      0.903781      3.141199
  F      -3.853023      2.238859      3.369763
  C      -4.493438      0.344404      2.078073
  C      -5.406567      1.126289      1.228834
  O      -6.027345      0.668671      0.276998
  C      -5.669558      2.617472      1.515021
  O      -5.178151      3.507113      0.866734
  C      -6.740672      2.837509      2.615873
  O      -7.251133      1.929252      3.204899
  Cl     -7.100746      4.542001      2.920183
  C      -4.414528     -1.045017      1.882147
  C      -7.477273     -5.403553      3.988840
  C      -8.134477     -6.470535      4.626518
  C      -8.997467     -6.197401      5.698413
  C      -9.139592     -4.900183      6.180915
  F      -9.879036     -4.705842      7.285966
  C      -8.498937     -3.813281      5.542264
  C      -8.318978     -2.478471      6.149155
  O      -9.004713     -2.043039      7.056097
  C      -7.164240     -1.521246      5.642335
  O      -4.685375     -2.737511      6.221149
  C      -6.504467     -0.850638      6.864089
  O      -6.540734     -1.114489      8.016822
  Cl     -5.572054      0.650196      6.297497
  C      -7.814388     -4.107816      4.368188
  C      -3.629301     -5.558417      6.434786
  C      -2.415464     -5.566350      7.152757
  C      -2.394947     -5.447251      8.541187
  C      -3.596453     -5.318467      9.218971
  F      -3.571926     -5.180730     10.569687
  C      -4.828012     -5.319597      8.547708
  C      -6.112419     -5.174612      9.244307
  O      -7.198752     -5.056243      8.689640
  C      -6.212796     -5.245422     10.776222
  O      -6.358689     -6.289014     11.364802
  C      -6.258268     -3.855917     11.458553
  O      -5.959638     -2.847222     10.893432
  Cl     -6.723260     -3.932008     13.173032
  C      -4.823656     -5.445889      7.152252
  H      -2.355284     -1.873587      4.456400
  H      -2.451673      0.605148      4.809876
  H      -5.010105     -1.481918      1.079322
  H      -7.943959     -7.506524      4.342911
  H      -9.510273     -7.005444      6.220973
  H      -7.380683     -3.293915      3.801317
  H      -1.468537     -5.641433      6.617003
  H      -1.458291     -5.438397      9.098627
  H      -5.783157     -5.448735      6.631335
  N      -5.223523     -3.019060      5.115959
  N      -6.168428     -1.958730      4.635086
  H      -5.545357     -1.154459      4.472527
  H      -7.721644     -0.727047      5.113519
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.583599768808
  N      -3.676723     -3.261286      2.617379
  C      -3.199814     -3.796121      1.334600
  C      -2.776693     -5.235884      1.553913
  N      -3.822056     -5.954146      2.329610
  C      -4.932901     -6.421575      1.458302
  C      -6.170467     -6.649358      2.306667
  N      -6.348450     -5.478876      3.156220
  Mo     -4.720709     -4.470753      3.818064
  N      -3.655796     -5.637499      5.031294
  C      -2.644915     -6.500356      4.405947
  C      -3.234512     -7.063326      3.124983
  H      -2.382115     -7.332399      5.078933
  H      -1.710447     -5.946800      4.197708
  H      -4.043047     -7.759019      3.383869
  H      -2.482651     -7.610430      2.530494
  H      -7.046909     -6.790925      1.651016
  H      -6.069633     -7.574602      2.906135
  H      -5.137493     -5.622686      0.731812
  H      -4.636402     -7.328092      0.903165
  H      -2.333376     -3.214055      0.979590
  H      -3.974312     -3.723335      0.548398
  H      -1.856082     -5.248186      2.152777
  H      -2.576279     -5.757858      0.602655
  C      -3.673861     -1.852954      2.732264
  C      -2.957307     -1.248035      3.786501
  C      -3.005218      0.127474      3.996277
  C      -3.774716      0.903315      3.142061
  F      -3.855050      2.238706      3.371503
  C      -4.487525      0.348990      2.069456
  C      -5.390165      1.138380      1.217188
  O      -6.006118      0.688557      0.258201
  C      -5.649108      2.629452      1.508806
  O      -5.153525      3.519159      0.863690
  C      -6.721943      2.848373      2.607812
  O      -7.233350      1.939501      3.195803
  Cl     -7.085791      4.552587      2.911314
  C      -4.410950     -1.039803      1.868259
  C      -7.475467     -5.409741      3.995526
  C      -8.124140     -6.475342      4.643759
  C      -8.988239     -6.199552      5.713831
  C      -9.140189     -4.899121      6.184505
  F      -9.879347     -4.698739      7.288567
  C      -8.507165     -3.813942      5.536481
  C      -8.341223     -2.470113      6.127293
  O      -9.046404     -2.019859      7.012279
  C      -7.172557     -1.522966      5.638458
  O      -4.679330     -2.731085      6.209424
  C      -6.513783     -0.874556      6.872716
  O      -6.556539     -1.156056      8.021105
  Cl     -5.577920      0.636651      6.334646
  C      -7.818737     -4.112495      4.365135
  C      -3.621560     -5.554656      6.434630
  C      -2.408676     -5.575433      7.153786
  C      -2.388000     -5.460148      8.542947
  C      -3.588815     -5.322224      9.219911
  F      -3.565344     -5.189557     10.571218
  C      -4.819675     -5.308809      8.547295
  C      -6.102604     -5.152283      9.243720
  O      -7.186133     -5.007992      8.689313
  C      -6.209828     -5.245854     10.773481
  O      -6.354280     -6.299040     11.345193
  C      -6.264807     -3.867143     11.476212
  O      -5.960319     -2.849602     10.930457
  Cl     -6.749471     -3.970162     13.183898
  C      -4.815494     -5.431615      7.151891
  H      -2.386329     -1.881899      4.465391
  H      -2.477075      0.596182      4.825894
  H      -4.997725     -1.471882      1.056469
  H      -7.925907     -7.512292      4.369120
  H      -9.494036     -7.007055      6.244005
  H      -7.387808     -3.300494      3.791835
  H      -1.461617     -5.658084      6.619434
  H      -1.451512     -5.461809      9.100659
  H      -5.774092     -5.424705      6.629372
  N      -5.227657     -3.018119      5.110613
  N      -6.177543     -1.959922      4.632856
  H      -5.555192     -1.155027      4.470625
  H      -7.716268     -0.712945      5.119426
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.584187467998
  N      -3.686031     -3.259519      2.610887
  C      -3.217853     -3.795856      1.325615
  C      -2.784172     -5.232233      1.547337
  N      -3.822390     -5.954186      2.330158
  C      -4.934449     -6.428978      1.464058
  C      -6.168213     -6.657550      2.317831
  N      -6.346313     -5.483882      3.163400
  Mo     -4.719654     -4.471923      3.819716
  N      -3.647753     -5.633377      5.031874
  C      -2.635127     -6.492581      4.403765
  C      -3.226425     -7.059629      3.125098
  H      -2.366542     -7.323042      5.076407
  H      -1.703751     -5.934971      4.192728
  H      -4.031195     -7.758336      3.387840
  H      -2.474712     -7.603920      2.528084
  H      -7.047075     -6.804048      1.666646
  H      -6.061813     -7.580021      2.920563
  H      -5.143806     -5.633324      0.735486
  H      -4.636278     -7.336473      0.911654
  H      -2.357838     -3.210420      0.960637
  H      -3.999596     -3.731009      0.546035
  H      -1.860797     -5.237086      2.142032
  H      -2.585280     -5.756396      0.597008
  C      -3.684763     -1.851837      2.725844
  C      -2.980161     -1.250238      3.790654
  C      -3.025820      0.124600      4.003689
  C      -3.781915      0.904042      3.140814
  F      -3.859695      2.239846      3.370460
  C      -4.482893      0.353693      2.058583
  C      -5.375461      1.148151      1.200525
  O      -5.982325      0.704015      0.233035
  C      -5.635222      2.638542      1.498033
  O      -5.142510      3.531726      0.855661
  C      -6.705788      2.850907      2.600831
  O      -7.210889      1.938896      3.189899
  Cl     -7.079550      4.552634      2.906275
  C      -4.408178     -1.034708      1.854141
  C      -7.473236     -5.411879      4.002975
  C      -8.114286     -6.475733      4.661314
  C      -8.978867     -6.196498      5.729711
  C      -9.138843     -4.892303      6.188730
  F      -9.876273     -4.686415      7.293133
  C      -8.513516     -3.809456      5.530701
  C      -8.358812     -2.456851      6.107295
  O      -9.083134     -1.992852      6.969996
  C      -7.175658     -1.522004      5.636613
  O      -4.665904     -2.723256      6.196010
  C      -6.519654     -0.895807      6.882848
  O      -6.577965     -1.189769      8.027182
  Cl     -5.560699      0.613108      6.370414
  C      -7.822402     -4.113436      4.361944
  C      -3.613228     -5.552550      6.435226
  C      -2.401645     -5.586430      7.156581
  C      -2.382384     -5.475538      8.546313
  C      -3.582879     -5.328774      9.221907
  F      -3.561415     -5.199800     10.573607
  C      -4.812213     -5.301183      8.547122
  C      -6.095257     -5.134215      9.240920
  O      -7.175009     -4.968357      8.684916
  C      -6.211084     -5.249535     10.767888
  O      -6.355211     -6.312114     11.322435
  C      -6.275820     -3.882232     11.490901
  O      -5.961702     -2.856502     10.966342
  Cl     -6.783423     -4.011967     13.190226
  C      -4.807040     -5.419616      7.151311
  H      -2.419840     -1.888162      4.474626
  H      -2.506299      0.589969      4.840536
  H      -4.986858     -1.461775      1.033945
  H      -7.909936     -7.513959      4.396020
  H      -9.478435     -7.002708      6.267644
  H      -7.393373     -3.303638      3.783384
  H      -1.453953     -5.676088      6.624571
  H      -1.446339     -5.487423      9.104624
  H      -5.764459     -5.403034      6.626917
  N      -5.228371     -3.016362      5.106427
  N      -6.182494     -1.958608      4.632023
  H      -5.560087     -1.153741      4.470619
  H      -7.704984     -0.697361      5.126846
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.584700502492
  N      -3.696049     -3.257675      2.605199
  C      -3.237299     -3.794648      1.316833
  C      -2.792358     -5.227581      1.540135
  N      -3.823030     -5.953797      2.329504
  C      -4.936070     -6.436735      1.468709
  C      -6.165825     -6.667582      2.327907
  N      -6.345434     -5.490916      3.169348
  Mo     -4.721174     -4.473092      3.819696
  N      -3.642126     -5.628682      5.031499
  C      -2.626710     -6.483153      4.401079
  C      -3.218527     -7.054808      3.124538
  H      -2.351976     -7.311732      5.073578
  H      -1.698967     -5.920587      4.187557
  H      -4.019086     -7.757150      3.390296
  H      -2.465925     -7.595829      2.525752
  H      -7.046739     -6.820121      1.680974
  H      -6.052996     -7.587000      2.933987
  H      -5.150699     -5.644743      0.737862
  H      -4.635975     -7.345261      0.919107
  H      -2.384813     -3.204868      0.941468
  H      -4.027141     -3.738504      0.544913
  H      -1.866406     -5.224451      2.130785
  H      -2.594538     -5.753336      0.590480
  C      -3.694422     -1.850798      2.722207
  C      -3.000486     -1.253433      3.796825
  C      -3.043479      0.120881      4.013000
  C      -3.785743      0.904997      3.142498
  F      -3.859200      2.241050      3.372990
  C      -4.476009      0.359391      2.051022
  C      -5.357570      1.158672      1.185675
  O      -5.954094      0.719627      0.209585
  C      -5.616810      2.648405      1.488905
  O      -5.124133      3.545300      0.851973
  C      -6.688814      2.854966      2.592300
  O      -7.192000      1.940095      3.178737
  Cl     -7.069527      4.554567      2.899970
  C      -4.404029     -1.028766      1.843753
  C      -7.471505     -5.416920      4.010030
  C      -8.104102     -6.478308      4.681063
  C      -8.968416     -6.194745      5.748021
  C      -9.136849     -4.886991      6.193773
  F      -9.871966     -4.675685      7.299031
  C      -8.520673     -3.807009      5.523990
  C      -8.376834     -2.446730      6.086615
  O      -9.117296     -1.970246      6.928787
  C      -7.180959     -1.523151      5.632250
  O      -4.657588     -2.714583      6.183460
  C      -6.526512     -0.921083      6.890870
  O      -6.598231     -1.230399      8.030243
  Cl     -5.550225      0.587423      6.404347
  C      -7.827974     -4.117018      4.357262
  C      -3.607796     -5.549309      6.434779
  C      -2.396927     -5.595136      7.157190
  C      -2.378092     -5.488189      8.547246
  C      -3.577535     -5.332871      9.222646
  F      -3.556311     -5.207153     10.574587
  C      -4.805863     -5.292044      8.546701
  C      -6.088110     -5.114737      9.239428
  O      -7.164514     -4.927444      8.683719
  C      -6.209438     -5.251183     10.763629
  O      -6.349861     -6.322836     11.301876
  C      -6.284694     -3.895451     11.506416
  O      -5.964383     -2.861548     11.002012
  Cl     -6.814792     -4.051285     13.196800
  C      -4.800825     -5.406863      7.150477
  H      -2.451147     -1.895574      4.485724
  H      -2.531702      0.582253      4.856721
  H      -4.975683     -1.450015      1.015638
  H      -7.893532     -7.517972      4.426528
  H      -9.460953     -6.999017      6.295220
  H      -7.402886     -3.309706      3.771425
  H      -1.449241     -5.691134      6.626375
  H      -1.442146     -5.509370      9.105482
  H      -5.757754     -5.380944      6.625641
  N      -5.232096     -3.015430      5.101713
  N      -6.189908     -1.959913      4.629145
  H      -5.568181     -1.154781      4.466112
  H      -7.695546     -0.682957      5.132434
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.585148889856
  N      -3.706110     -3.255337      2.600003
  C      -3.257760     -3.793140      1.308333
  C      -2.801495     -5.222440      1.532764
  N      -3.823897     -5.952661      2.329201
  C      -4.938460     -6.444179      1.474885
  C      -6.163781     -6.676683      2.340203
  N      -6.344734     -5.496599      3.176929
  Mo     -4.722899     -4.472970      3.820617
  N      -3.635992     -5.623172      5.031296
  C      -2.617618     -6.472242      4.398265
  C      -3.210051     -7.048659      3.124151
  H      -2.336238     -7.298945      5.070344
  H      -1.693825     -5.904366      4.181940
  H      -4.005885     -7.755088      3.393135
  H      -2.456347     -7.586121      2.523562
  H      -7.046771     -6.835733      1.697770
  H      -6.044436     -7.592602      2.950193
  H      -5.158839     -5.656503      0.741281
  H      -4.636911     -7.354165      0.928527
  H      -2.413627     -3.198809      0.921674
  H      -4.056589     -3.746209      0.545223
  H      -1.872817     -5.211052      2.119023
  H      -2.605002     -5.749735      0.583696
  C      -3.702611     -1.849196      2.718767
  C      -3.017935     -1.255303      3.801592
  C      -3.058240      0.118722      4.019202
  C      -3.787775      0.906882      3.141797
  F      -3.856944      2.243207      3.372513
  C      -4.468187      0.365236      2.042262
  C      -5.338035      1.168287      1.168156
  O      -5.921757      0.733474      0.182724
  C      -5.600407      2.656381      1.478247
  O      -5.108657      3.558840      0.848890
  C      -6.675293      2.853951      2.581765
  O      -7.176457      1.934492      3.162858
  Cl     -7.062149      4.550603      2.896714
  C      -4.398901     -1.022938      1.833580
  C      -7.469843     -5.419899      4.018750
  C      -8.094127     -6.478877      4.701663
  C      -8.957946     -6.190491      5.767418
  C      -9.134588     -4.879093      6.199933
  F      -9.868116     -4.662049      7.305395
  C      -8.527359     -3.802166      5.518213
  C      -8.393798     -2.434799      6.066620
  O      -9.150181     -1.945690      6.887002
  C      -7.184203     -1.522357      5.628319
  O      -4.648521     -2.703135      6.171993
  C      -6.531256     -0.943355      6.898721
  O      -6.617615     -1.265588      8.033549
  Cl     -5.538976      0.563569      6.436669
  C      -7.833798     -4.118841      4.353733
  C      -3.602629     -5.546128      6.434446
  C      -2.392726     -5.602820      7.158059
  C      -2.374763     -5.500115      8.548439
  C      -3.573412     -5.338355      9.223621
  F      -3.552375     -5.216859     10.575804
  C      -4.800644     -5.286433      8.546333
  C      -6.082435     -5.102250      9.238111
  O      -7.155984     -4.898293      8.682805
  C      -6.208362     -5.258087     10.759706
  O      -6.341488     -6.338008     11.283412
  C      -6.297629     -3.913353     11.520258
  O      -5.972512     -2.871673     11.035346
  Cl     -6.847676     -4.094556     13.201784
  C      -4.795142     -5.396639      7.149704
  H      -2.478278     -1.900455      4.495235
  H      -2.553158      0.576840      4.868678
  H      -4.963778     -1.439196      0.998294
  H      -7.877575     -7.519774      4.457340
  H      -9.443831     -6.992390      6.323975
  H      -7.412469     -3.314519      3.761315
  H      -1.445018     -5.703698      6.628314
  H      -1.439226     -5.529588      9.107022
  H      -5.751712     -5.362864      6.624695
  N      -5.234454     -3.013027      5.098520
  N      -6.195309     -1.960484      4.626063
  H      -5.574715     -1.154809      4.460895
  H      -7.684156     -0.668271      5.137817
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.585538829730
  N      -3.717090     -3.252903      2.595859
  C      -3.279848     -3.790905      1.300434
  C      -2.811976     -5.216551      1.524785
  N      -3.825444     -5.951328      2.328156
  C      -4.941171     -6.452311      1.480712
  C      -6.161569     -6.687608      2.352290
  N      -6.344852     -5.504486      3.184293
  Mo     -4.726638     -4.473122      3.820811
  N      -3.631368     -5.617157      5.030283
  C      -2.609258     -6.459745      4.394793
  C      -3.201520     -7.041604      3.123098
  H      -2.320289     -7.284334      5.066285
  H      -1.689998     -5.885709      4.175563
  H      -3.991814     -7.753027      3.395171
  H      -2.445877     -7.574862      2.521179
  H      -7.046380     -6.853957      1.714264
  H      -6.034983     -7.600019      2.965992
  H      -5.168547     -5.669134      0.744569
  H      -4.637348     -7.363274      0.937252
  H      -2.444833     -3.191561      0.902155
  H      -4.088171     -3.753125      0.546918
  H      -1.880490     -5.196996      2.106391
  H      -2.616794     -5.744629      0.575881
  C      -3.709816     -1.847389      2.716895
  C      -3.031146     -1.257516      3.805911
  C      -3.067548      0.116484      4.024332
  C      -3.785856      0.909243      3.141816
  F      -3.849688      2.245797      3.372944
  C      -4.459080      0.371933      2.035811
  C      -5.317232      1.178990      1.153343
  O      -5.889615      0.747614      0.159971
  C      -5.580211      2.666480      1.466976
  O      -5.088330      3.571382      0.841516
  C      -6.656768      2.861170      2.570354
  O      -7.158734      1.940303      3.148190
  Cl     -7.044986      4.557009      2.887453
  C      -4.394076     -1.016462      1.826482
  C      -7.468520     -5.426203      4.027734
  C      -8.083308     -6.482678      4.723553
  C      -8.946538     -6.189883      5.788219
  C      -9.132507     -4.875454      6.206960
  F      -9.863979     -4.652405      7.312700
  C      -8.535200     -3.801438      5.512857
  C      -8.412516     -2.427939      6.047340
  O      -9.183375     -1.927718      6.847064
  C      -7.190655     -1.524858      5.624656
  O      -4.644687     -2.692433      6.162651
  C      -6.538528     -0.968232      6.906436
  O      -6.636390     -1.305189      8.036266
  Cl     -5.537089      0.539909      6.469764
  C      -7.841336     -4.124106      4.350026
  C      -3.599078     -5.542075      6.433309
  C      -2.389934     -5.608016      7.157611
  C      -2.372179     -5.508662      8.548240
  C      -3.569924     -5.341102      9.223534
  F      -3.548095     -5.221631     10.575739
  C      -4.796446     -5.279625      8.545374
  C      -6.077258     -5.088791      9.237247
  O      -7.148014     -4.867818      8.683210
  C      -6.207108     -5.264293     10.756215
  O      -6.334658     -6.351921     11.265341
  C      -6.308405     -3.930615     11.534319
  O      -5.977894     -2.881817     11.068796
  Cl     -6.880491     -4.136063     13.205726
  C      -4.790893     -5.386259      7.148580
  H      -2.499321     -1.905213      4.503098
  H      -2.566781      0.571223      4.878172
  H      -4.953559     -1.428140      0.985320
  H      -7.859441     -7.524413      4.489713
  H      -9.424578     -6.989480      6.354817
  H      -7.425345     -3.322708      3.749663
  H      -1.442497     -5.712800      6.628236
  H      -1.437015     -5.544781      9.107085
  H      -5.747397     -5.345375      6.623954
  N      -5.239318     -3.012205      5.096038
  N      -6.203573     -1.964256      4.623022
  H      -5.585492     -1.157448      4.454303
  H      -7.676552     -0.657128      5.144027
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.585874691485
  N      -3.727269     -3.250353      2.592534
  C      -3.301594     -3.788612      1.293251
  C      -2.822991     -5.210826      1.516707
  N      -3.827482     -5.949797      2.327216
  C      -4.944710     -6.459928      1.487181
  C      -6.160064     -6.697185      2.365267
  N      -6.345195     -5.510849      3.192353
  Mo     -4.730432     -4.472410      3.821859
  N      -3.626492     -5.610943      5.029193
  C      -2.601017     -6.447086      4.391038
  C      -3.193412     -7.034310      3.121871
  H      -2.304307     -7.269635      5.061684
  H      -1.686306     -5.867057      4.168612
  H      -3.978076     -7.750646      3.397333
  H      -2.436037     -7.563392      2.518460
  H      -7.046749     -6.870620      1.731793
  H      -6.026539     -7.605960      2.982855
  H      -5.179156     -5.681271      0.748565
  H      -4.639016     -7.371938      0.946565
  H      -2.475646     -3.184722      0.883366
  H      -4.119390     -3.759116      0.549674
  H      -1.888578     -5.183896      2.093364
  H      -2.629660     -5.739445      0.567731
  C      -3.714790     -1.845481      2.715851
  C      -3.042679     -1.259008      3.810927
  C      -3.076178      0.114916      4.029867
  C      -3.783655      0.911450      3.142146
  F      -3.843513      2.248225      3.373333
  C      -4.448483      0.377864      2.029433
  C      -5.293202      1.188812      1.137450
  O      -5.850405      0.761520      0.133892
  C      -5.561645      2.674344      1.456699
  O      -5.069148      3.583827      0.838620
  C      -6.643828      2.861323      2.556650
  O      -7.148534      1.936401      3.125569
  Cl     -7.033174      4.555021      2.883523
  C      -4.387103     -1.010692      1.819782
  C      -7.467661     -5.430154      4.037065
  C      -8.073359     -6.484057      4.744712
  C      -8.936234     -6.186765      5.808152
  C      -9.131141     -4.869226      6.213396
  F      -9.861349     -4.639300      7.318559
  C      -8.543158     -3.798391      5.507109
  C      -8.430726     -2.418676      6.027269
  O      -9.216238     -1.907046      6.805012
  C      -7.195884     -1.525696      5.621202
  O      -4.641263     -2.680745      6.154364
  C      -6.545538     -0.990268      6.913355
  O      -6.656828     -1.340757      8.038183
  Cl     -5.537388      0.519597      6.503387
  C      -7.849264     -4.127273      4.346089
  C      -3.595356     -5.538358      6.432183
  C      -2.386926     -5.612568      7.157104
  C      -2.369236     -5.516783      8.547990
  C      -3.566257     -5.344882      9.223465
  F      -3.543935     -5.229163     10.575864
  C      -4.792100     -5.275301      8.544698
  C      -6.071986     -5.080627      9.237318
  O      -7.140763     -4.846606      8.685005
  C      -6.204235     -5.272611     10.754046
  O      -6.323139     -6.366700     11.251343
  C      -6.319332     -3.948538     11.546373
  O      -5.985223     -2.893498     11.097907
  Cl     -6.908463     -4.175739     13.209063
  C      -4.786573     -5.377972      7.147712
  H      -2.518109     -1.908362      4.511933
  H      -2.580386      0.566876      4.888113
  H      -4.940331     -1.418876      0.972801
  H      -7.842091     -7.526360      4.520794
  H      -9.406985     -6.983818      6.384404
  H      -7.438208     -3.329013      3.738413
  H      -1.439790     -5.720419      6.627891
  H      -1.434568     -5.559099      9.107237
  H      -5.743155     -5.331286      6.623704
  N      -5.242903     -3.010714      5.094617
  N      -6.210267     -1.967348      4.619427
  H      -5.594907     -1.159332      4.447057
  H      -7.667503     -0.646016      5.149521
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.586152280840
  N      -3.738674     -3.247656      2.590310
  C      -3.324850     -3.785583      1.286888
  C      -2.835828     -5.204611      1.508213
  N      -3.830923     -5.948328      2.325725
  C      -4.949053     -6.468540      1.493107
  C      -6.158850     -6.709292      2.377741
  N      -6.346796     -5.520238      3.200112
  Mo     -4.736575     -4.472296      3.821997
  N      -3.623282     -5.603590      5.027373
  C      -2.593879     -6.432564      4.386753
  C      -3.186005     -7.026269      3.120408
  H      -2.288424     -7.252461      5.056752
  H      -1.684377     -5.845821      4.160624
  H      -3.964284     -7.748108      3.399598
  H      -2.426396     -7.550773      2.515813
  H      -7.047310     -6.890423      1.748928
  H      -6.017477     -7.614561      2.998715
  H      -5.191811     -5.694290      0.752578
  H      -4.640390     -7.380833      0.954683
  H      -2.507872     -3.177265      0.865947
  H      -4.151665     -3.763304      0.553072
  H      -1.898257     -5.171019      2.079414
  H      -2.644819     -5.733051      0.558667
  C      -3.719556     -1.843354      2.716180
  C      -3.051697     -1.261074      3.816081
  C      -3.081181      0.112950      4.035881
  C      -3.778392      0.913962      3.143959
  F      -3.833106      2.250996      3.375457
  C      -4.436817      0.384728      2.025355
  C      -5.267891      1.200489      1.124603
  O      -5.813179      0.776596      0.113139
  C      -5.535453      2.686495      1.443425
  O      -5.039753      3.594788      0.826134
  C      -6.620200      2.876847      2.540137
  O      -7.132102      1.953592      3.104874
  Cl     -7.003041      4.572034      2.867545
  C      -4.380996     -1.004015      1.815819
  C      -7.467483     -5.438684      4.046885
  C      -8.062229     -6.489820      4.768147
  C      -8.924318     -6.188890      5.830799
  C      -9.129431     -4.868800      6.221757
  F      -9.856954     -4.631839      7.327138
  C      -8.552696     -3.801041      5.502254
  C      -8.451398     -2.415672      6.008484
  O      -9.250240     -1.894942      6.766268
  C      -7.206474     -1.530639      5.617935
  O      -4.644731     -2.670409      6.148090
  C      -6.557286     -1.015094      6.919357
  O      -6.677441     -1.381550      8.038621
  Cl     -5.548402      0.499111      6.536420
  C      -7.859280     -4.135331      4.342293
  C      -3.592499     -5.532703      6.430319
  C      -2.384156     -5.611944      7.155059
  C      -2.365604     -5.518649      8.546071
  C      -3.561889     -5.344678      9.222302
  F      -3.538329     -5.230041     10.574723
  C      -4.787765     -5.270304      8.543830
  C      -6.066485     -5.073622      9.238211
  O      -7.133981     -4.828494      8.688380
  C      -6.200621     -5.282281     10.752560
  O      -6.312513     -6.382454     11.237949
  C      -6.328467     -3.967813     11.558790
  O      -5.991617     -2.906794     11.126858
  Cl     -6.936535     -4.215918     13.211739
  C      -4.783023     -5.369906      7.146725
  H      -2.533622     -1.912330      4.520053
  H      -2.588893      0.561737      4.897840
  H      -4.929224     -1.408976      0.964090
  H      -7.821767     -7.532244      4.554784
  H      -9.385897     -6.983610      6.417601
  H      -7.455629     -3.340033      3.725199
  H      -1.437459     -5.720755      6.625324
  H      -1.430987     -5.564071      9.105160
  H      -5.739938     -5.319450      6.623675
  N      -5.250104     -3.011112      5.093339
  N      -6.222287     -1.974015      4.615783
  H      -5.611178     -1.164233      4.437575
  H      -7.665226     -0.639213      5.155650
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.586376334817
  N      -3.748515     -3.244647      2.588395
  C      -3.346565     -3.783123      1.281287
  C      -2.848957     -5.199359      1.500398
  N      -3.834854     -5.946621      2.325684
  C      -4.954539     -6.476357      1.501254
  C      -6.158823     -6.718597      2.392898
  N      -6.348321     -5.525955      3.209732
  Mo     -4.741473     -4.470334      3.824100
  N      -3.618360     -5.594998      5.026548
  C      -2.585982     -6.417627      4.383021
  C      -3.179159     -7.017973      3.120233
  H      -2.271897     -7.234685      5.052499
  H      -1.681577     -5.824850      4.152234
  H      -3.951337     -7.744486      3.404294
  H      -2.418370     -7.538605      2.513815
  H      -7.049401     -6.906945      1.769278
  H      -6.010244     -7.619882      3.017993
  H      -5.204970     -5.706730      0.758478
  H      -4.643935     -7.389570      0.965561
  H      -2.537449     -3.171751      0.849836
  H      -4.181655     -3.766500      0.556744
  H      -1.907879     -5.160302      2.065498
  H      -2.661579     -5.728084      0.550297
  C      -3.722234     -1.840983      2.715726
  C      -3.061093     -1.261317      3.821011
  C      -3.088012      0.112739      4.040942
  C      -3.774695      0.916447      3.143449
  F      -3.826187      2.253913      3.374024
  C      -4.424265      0.390062      2.018399
  C      -5.240038      1.210050      1.107608
  O      -5.769019      0.790287      0.085872
  C      -5.513070      2.694701      1.429228
  O      -5.014527      3.605438      0.817836
  C      -6.605075      2.880386      2.519185
  O      -7.124612      1.954502      3.072778
  Cl     -6.983691      4.574332      2.858019
  C      -4.372171     -0.998715      1.809339
  C      -7.468161     -5.441013      4.057450
  C      -8.053383     -6.488647      4.791363
  C      -8.915256     -6.182984      5.852551
  C      -9.129167     -4.859646      6.228917
  F      -9.855195     -4.614208      7.333366
  C      -8.562058     -3.796147      5.496263
  C      -8.470097     -2.404351      5.987851
  O      -9.283234     -1.873225      6.722789
  C      -7.213249     -1.529852      5.614571
  O      -4.645407     -2.657835      6.142001
  C      -6.567495     -1.032766      6.924340
  O      -6.701841     -1.411776      8.038364
  Cl     -5.556193      0.483934      6.569245
  C      -7.868971     -4.137190      4.338007
  C      -3.587801     -5.527037      6.429532
  C      -2.379306     -5.608734      7.154060
  C      -2.360146     -5.519167      8.545224
  C      -3.556278     -5.347921      9.222412
  F      -3.532512     -5.238248     10.575202
  C      -4.782354     -5.272702      8.544600
  C      -6.061009     -5.082865      9.241098
  O      -7.129784     -4.837648      8.693886
  C      -6.193833     -5.302558     10.753945
  O      -6.290155     -6.407265     11.232347
  C      -6.341548     -3.995451     11.568615
  O      -6.009481     -2.928251     11.148531
  Cl     -6.959481     -4.262253     13.215090
  C      -4.778207     -5.366834      7.147027
  H      -2.549893     -1.913574      4.529009
  H      -2.601133      0.559558      4.907012
  H      -4.913751     -1.401816      0.952508
  H      -7.804570     -7.531259      4.588652
  H      -9.369213     -6.974539      6.449468
  H      -7.471381     -3.345531      3.712680
  H      -1.432690     -5.715745      6.623848
  H      -1.425443     -5.566069      9.104032
  H      -5.735600     -5.316016      6.624920
  N      -5.254085     -3.008852      5.092975
  N      -6.230540     -1.976542      4.611421
  H      -5.622692     -1.165589      4.427661
  H      -7.658096     -0.628591      5.159722
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.586548723250
  N      -3.760897     -3.241751      2.588047
  C      -3.370130     -3.779472      1.277016
  C      -2.864257     -5.193475      1.492521
  N      -3.841169     -5.945427      2.324421
  C      -4.960766     -6.485583      1.506684
  C      -6.159378     -6.732667      2.404440
  N      -6.352267     -5.537935      3.217207
  Mo     -4.750520     -4.470703      3.823762
  N      -3.617325     -5.585654      5.024394
  C      -2.581223     -6.401515      4.378434
  C      -3.174774     -7.009688      3.119489
  H      -2.257782     -7.214823      5.048029
  H      -1.682583     -5.802059      4.142601
  H      -3.940440     -7.741181      3.408364
  H      -2.412184     -7.526382      2.511961
  H      -7.051580     -6.928552      1.785472
  H      -6.002645     -7.630850      3.032000
  H      -5.219997     -5.719920      0.762793
  H      -4.646107     -7.398197      0.972372
  H      -2.568323     -3.164848      0.836667
  H      -4.212370     -3.767339      0.560663
  H      -1.919596     -5.149882      2.051272
  H      -2.680701     -5.721285      0.541179
  C      -3.727370     -1.838723      2.718408
  C      -3.071695     -1.264174      3.829436
  C      -3.093997      0.109926      4.051317
  C      -3.768172      0.918712      3.148760
  F      -3.813381      2.256469      3.379773
  C      -4.410445      0.397451      2.016932
  C      -5.209599      1.223881      1.096940
  O      -5.730030      0.807354      0.069426
  C      -5.472768      2.711923      1.411657
  O      -4.962898      3.614922      0.797864
  C      -6.569019      2.913313      2.493425
  O      -7.105206      1.995321      3.043768
  Cl     -6.929329      4.612657      2.826000
  C      -4.365515     -0.991338      1.807763
  C      -7.470276     -5.453362      4.067233
  C      -8.042995     -6.498008      4.815491
  C      -8.904186     -6.189501      5.875920
  C      -9.129304     -4.864165      6.237560
  F      -9.852661     -4.612083      7.342295
  C      -8.574881     -3.803856      5.491315
  C      -8.493944     -2.407345      5.970101
  O      -9.318634     -1.870106      6.687610
  C      -7.230468     -1.538415      5.610981
  O      -4.659163     -2.650197      6.139639
  C      -6.586322     -1.059226      6.928533
  O      -6.724840     -1.456032      8.036332
  Cl     -5.580742      0.464922      6.600196
  C      -7.882249     -4.149837      4.333894
  C      -3.584601     -5.517886      6.427352
  C      -2.374365     -5.596714      7.149328
  C      -2.352235     -5.508137      8.540454
  C      -3.547453     -5.341248      9.220303
  F      -3.520859     -5.230619     10.572958
  C      -4.775340     -5.269326      8.545115
  C      -6.052906     -5.086050      9.245311
  O      -7.123487     -4.840060      8.701963
  C      -6.184060     -5.318033     10.756314
  O      -6.269201     -6.427127     11.226735
  C      -6.347971     -4.018562     11.580076
  O      -6.021359     -2.945459     11.170939
  Cl     -6.977681     -4.303106     13.219257
  C      -4.774023     -5.361498      7.147453
  H      -2.568837     -1.919333      4.540677
  H      -2.611807      0.552964      4.921953
  H      -4.901422     -1.391115      0.945874
  H      -7.783695     -7.540107      4.623524
  H      -9.347814     -6.978717      6.483556
  H      -7.494691     -3.361287      3.697108
  H      -1.428481     -5.699652      6.617007
  H      -1.416152     -5.551787      9.097205
  H      -5.732560     -5.312670      6.627295
  N      -5.265964     -3.011123      5.092494
  N      -6.249428     -1.986757      4.607565
  H      -5.647049     -1.174093      4.414988
  H      -7.664678     -0.627142      5.164893
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.586691779328
  N      -3.769459     -3.238811      2.587075
  C      -3.389146     -3.777811      1.273427
  C      -2.877336     -5.189738      1.486412
  N      -3.845214     -5.944120      2.326566
  C      -4.966288     -6.493700      1.517352
  C      -6.159404     -6.741222      2.422386
  N      -6.353097     -5.542433      3.229081
  Mo     -4.753890     -4.468117      3.827722
  N      -3.610162     -5.575363      5.024804
  C      -2.571776     -6.385784      4.375565
  C      -3.167916     -7.001532      3.121497
  H      -2.239405     -7.195251      5.045397
  H      -1.678614     -5.780769      4.133373
  H      -3.927552     -7.736741      3.416966
  H      -2.405409     -7.515338      2.511454
  H      -7.053928     -6.943984      1.809100
  H      -5.995797     -7.635133      3.054292
  H      -5.232880     -5.732933      0.770997
  H      -4.649942     -7.407549      0.986198
  H      -2.592904     -3.161956      0.824685
  H      -4.237662     -3.768747      0.564456
  H      -1.928612     -5.142490      2.037954
  H      -2.699253     -5.718059      0.534337
  C      -3.729887     -1.836304      2.716884
  C      -3.079313     -1.262443      3.831177
  C      -3.099516      0.111936      4.051999
  C      -3.765934      0.921615      3.144506
  F      -3.809069      2.259934      3.373570
  C      -4.401501      0.401278      2.008472
  C      -5.188320      1.230251      1.080270
  O      -5.697880      0.815363      0.046624
  C      -5.452151      2.718996      1.391951
  O      -4.939064      3.620315      0.778261
  C      -6.551401      2.923259      2.469280
  O      -7.093890      2.006519      3.015657
  Cl     -6.905263      4.623312      2.804879
  C      -4.359116     -0.987578      1.800725
  C      -7.472475     -5.451803      4.077247
  C      -8.038647     -6.491718      4.836891
  C      -8.901680     -6.177476      5.893839
  C      -9.134269     -4.848894      6.240450
  F      -9.856740     -4.587657      7.343737
  C      -8.586689     -3.794193      5.482371
  C      -8.512167     -2.391792      5.948387
  O      -9.350739     -1.844387      6.641646
  C      -7.235731     -1.535242      5.609781
  O      -4.661236     -2.642014      6.138025
  C      -6.597929     -1.077451      6.937204
  O      -6.754131     -1.489172      8.037854
  Cl     -5.584147      0.445001      6.642815
  C      -7.891956     -4.147735      4.328031
  C      -3.577301     -5.511289      6.427906
  C      -2.366268     -5.585849      7.149132
  C      -2.343804     -5.501118      8.540412
  C      -3.539623     -5.343651      9.221492
  F      -3.513180     -5.237769     10.574452
  C      -4.768268     -5.277711      8.547341
  C      -6.047300     -5.110704      9.248882
  O      -7.121318     -4.876495      8.706956
  C      -6.176018     -5.349546     10.758867
  O      -6.244460     -6.461412     11.225543
  C      -6.361223     -4.055844     11.587064
  O      -6.044701     -2.976977     11.185296
  Cl     -6.996374     -4.355797     13.221519
  C      -4.767309     -5.364216      7.149143
  H      -2.581048     -1.917797      4.545458
  H      -2.621456      0.554494      4.925142
  H      -4.889802     -1.386944      0.935448
  H      -7.771681     -7.533950      4.656484
  H      -9.339469     -6.962615      6.510843
  H      -7.509857     -3.363300      3.683904
  H      -1.419988     -5.682123      6.616252
  H      -1.407091     -5.541287      9.096342
  H      -5.726407     -5.320411      6.629627
  N      -5.268987     -3.009433      5.094426
  N      -6.256020     -1.987066      4.606131
  H      -5.655213     -1.174470      4.407835
  H      -7.654567     -0.614405      5.170520
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.586809995762
  N      -3.782237     -3.235506      2.587823
  C      -3.411544     -3.773948      1.270985
  C      -2.893922     -5.184565      1.480219
  N      -3.854037     -5.942644      2.326597
  C      -4.974513     -6.501781      1.523036
  C      -6.162839     -6.753730      2.433034
  N      -6.359432     -5.553413      3.236699
  Mo     -4.764409     -4.468059      3.828050
  N      -3.610288     -5.564113      5.023314
  C      -2.569179     -6.369308      4.371495
  C      -3.167250     -6.993286      3.122416
  H      -2.227922     -7.174169      5.042351
  H      -1.681794     -5.758546      4.122871
  H      -3.921253     -7.731884      3.423859
  H      -2.404284     -7.504844      2.511063
  H      -7.058677     -6.962625      1.823763
  H      -5.992319     -7.645207      3.066534
  H      -5.248779     -5.744716      0.775642
  H      -4.654082     -7.414988      0.993265
  H      -2.620557     -3.156182      0.815558
  H      -4.265383     -3.767606      0.568410
  H      -1.941361     -5.134605      2.024827
  H      -2.721075     -5.711928      0.526678
  C      -3.737298     -1.833784      2.720795
  C      -3.096866     -1.264938      3.843466
  C      -3.111794      0.109312      4.065891
  C      -3.760745      0.924020      3.150365
  F      -3.795699      2.262812      3.378684
  C      -4.385940      0.408655      2.006173
  C      -5.151895      1.244626      1.066853
  O      -5.655305      0.832670      0.028956
  C      -5.398249      2.738305      1.368950
  O      -4.862227      3.628484      0.758400
  C      -6.510266      2.964616      2.427934
  O      -7.078949      2.059027      2.966266
  Cl     -6.837417      4.671557      2.756123
  C      -4.351454     -0.980299      1.798464
  C      -7.477298     -5.463330      4.086758
  C      -8.030959     -6.500091      4.860071
  C      -8.892235     -6.183009      5.916977
  C      -9.134841     -4.852850      6.249950
  F      -9.853650     -4.585966      7.354496
  C      -8.600622     -3.801554      5.478427
  C      -8.535489     -2.395625      5.933576
  O      -9.383080     -1.844257      6.612678
  C      -7.254354     -1.542906      5.606873
  O      -4.681708     -2.637661      6.140119
  C      -6.619587     -1.100795      6.941226
  O      -6.779640     -1.528492      8.035556
  Cl     -5.614986      0.431376      6.672520
  C      -7.907114     -4.160035      4.324562
  C      -3.572881     -5.498918      6.426396
  C      -2.358407     -5.560344      7.142854
  C      -2.331831     -5.475919      8.534115
  C      -3.526933     -5.332868      9.219678
  F      -3.496962     -5.228065     10.572561
  C      -4.758826     -5.281153      8.550078
  C      -6.037378     -5.134156      9.256631
  O      -7.117053     -4.915214      8.719329
  C      -6.158559     -5.377278     10.766354
  O      -6.202397     -6.490730     11.232314
  C      -6.370429     -4.088552     11.595939
  O      -6.075092     -3.003109     11.195859
  Cl     -6.999918     -4.403367     13.229853
  C      -4.761924     -5.365675      7.151771
  H      -2.610980     -1.923958      4.562895
  H      -2.641512      0.547959      4.945227
  H      -4.874003     -1.375693      0.926453
  H      -7.754299     -7.541490      4.689662
  H      -9.319668     -6.965366      6.544628
  H      -7.535326     -3.379261      3.668708
  H      -1.413046     -5.645402      6.606442
  H      -1.392577     -5.505315      9.086413
  H      -5.723038     -5.332497      6.635266
  N      -5.282890     -3.011750      5.095701
  N      -6.276713     -1.997411      4.603025
  H      -5.680942     -1.184422      4.394111
  H      -7.664830     -0.615601      5.174182
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.586922994173
  N      -3.790545     -3.233020      2.587860
  C      -3.427837     -3.772630      1.269368
  C      -2.906350     -5.182071      1.476117
  N      -3.858413     -5.941973      2.330141
  C      -4.979578     -6.510068      1.534021
  C      -6.163248     -6.762687      2.450210
  N      -6.360617     -5.559233      3.249117
  Mo     -4.767617     -4.466731      3.831999
  N      -3.603103     -5.552963      5.024213
  C      -2.560002     -6.353754      4.369393
  C      -3.161621     -6.986041      3.126161
  H      -2.209775     -7.153525      5.041613
  H      -1.678533     -5.737803      4.113040
  H      -3.910099     -7.727254      3.435121
  H      -2.399655     -7.496061      2.512285
  H      -7.060942     -6.977345      1.845780
  H      -5.986836     -7.650774      3.086855
  H      -5.260547     -5.757796      0.784193
  H      -4.656981     -7.424292      1.007358
  H      -2.640265     -3.154661      0.808124
  H      -4.285924     -3.767901      0.571947
  H      -1.949553     -5.129994      2.013027
  H      -2.739940     -5.709688      0.521615
  C      -3.743255     -1.831661      2.719932
  C      -3.106864     -1.263130      3.845203
  C      -3.119392      0.111334      4.066557
  C      -3.761071      0.926961      3.146553
  F      -3.793229      2.266168      3.373209
  C      -4.381650      0.412106      1.999628
  C      -5.137743      1.249861      1.054071
  O      -5.642652      0.836650      0.017266
  C      -5.368644      2.748200      1.344186
  O      -4.819081      3.627417      0.729687
  C      -6.482616      2.995143      2.395981
  O      -7.062002      2.100108      2.940430
  Cl     -6.795079      4.708047      2.706750
  C      -4.350301     -0.977171      1.793496
  C      -7.481491     -5.462970      4.094972
  C      -8.031510     -6.495042      4.877150
  C      -8.895496     -6.172305      5.929779
  C      -9.143797     -4.839710      6.249612
  F      -9.862028     -4.565055      7.352974
  C      -8.614537     -3.793819      5.468401
  C      -8.553732     -2.383834      5.914060
  O      -9.412576     -1.823987      6.571695
  C      -7.260937     -1.542000      5.607825
  O      -4.692254     -2.639818      6.147074
  C      -6.633193     -1.124825      6.953584
  O      -6.808083     -1.572026      8.038330
  Cl     -5.617315      0.403527      6.722272
  C      -7.917208     -4.159191      4.318336
  C      -3.564590     -5.490447      6.427541
  C      -2.348317     -5.537523      7.141670
  C      -2.320948     -5.455291      8.533085
  C      -3.516806     -5.328966      9.220779
  F      -3.485882     -5.225465     10.573555
  C      -4.750366     -5.292057      8.553142
  C      -6.030574     -5.166780      9.260762
  O      -7.114280     -4.965818      8.724174
  C      -6.148742     -5.414343     10.769836
  O      -6.178346     -6.529113     11.233859
  C      -6.378717     -4.130100     11.601439
  O      -6.097425     -3.040032     11.203757
  Cl     -7.007547     -4.456244     13.233414
  C      -4.754213     -5.373827      7.154597
  H      -2.625237     -1.922777      4.566944
  H      -2.652460      0.549471      4.947932
  H      -4.869390     -1.371541      0.918988
  H      -7.748662     -7.536459      4.717320
  H      -9.318795     -6.950421      6.565387
  H      -7.550878     -3.382682      3.655167
  H      -1.402771     -5.609878      6.603640
  H      -1.380379     -5.473541      9.083610
  H      -5.716184     -5.352653      6.639073
  N      -5.288637     -3.013831      5.100394
  N      -6.284464     -1.999845      4.605619
  H      -5.688650     -1.188818      4.389325
  H      -7.656238     -0.605073      5.182468
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.587031911822
  N      -3.803248     -3.229068      2.589545
  C      -3.447668     -3.768436      1.268993
  C      -2.921697     -5.176811      1.472730
  N      -3.866583     -5.939590      2.332814
  C      -4.987216     -6.516128      1.542024
  C      -6.167126     -6.771570      2.462403
  N      -6.366885     -5.566848      3.258927
  Mo     -4.776166     -4.466151      3.835007
  N      -3.600984     -5.540991      5.024277
  C      -2.555730     -6.337427      4.366570
  C      -3.160676     -6.977618      3.128986
  H      -2.196758     -7.131929      5.040298
  H      -1.680295     -5.716220      4.102658
  H      -3.904061     -7.721127      3.444845
  H      -2.399684     -7.486377      2.512863
  H      -7.065770     -6.991173      1.861221
  H      -5.985224     -7.657640      3.100333
  H      -5.274381     -5.767821      0.790513
  H      -4.661213     -7.430367      1.017514
  H      -2.663760     -3.149337      0.802923
  H      -4.309583     -3.765920      0.576336
  H      -1.961139     -5.122663      2.002600
  H      -2.760939     -5.703813      0.516966
  C      -3.755759     -1.828254      2.722695
  C      -3.130076     -1.262186      3.855546
  C      -3.136839      0.112261      4.075930
  C      -3.760780      0.931283      3.146663
  F      -3.784268      2.271146      3.370726
  C      -4.371619      0.419080      1.993422
  C      -5.107881      1.261407      1.036337
  O      -5.614292      0.847975      0.000298
  C      -5.310523      2.766792      1.309686
  O      -4.731122      3.628134      0.697265
  C      -6.436440      3.047437      2.340198
  O      -7.041633      2.170195      2.885469
  Cl     -6.719326      4.769670      2.627396
  C      -4.347898     -0.970859      1.789282
  C      -7.488114     -5.470342      4.104159
  C      -8.029234     -6.499866      4.896116
  C      -8.891514     -6.174817      5.948860
  C      -9.146411     -4.841292      6.259133
  F      -9.860150     -4.562732      7.364752
  C      -8.627550     -3.798266      5.467873
  C      -8.572914     -2.385925      5.907285
  O      -9.438540     -1.823795      6.553886
  C      -7.275197     -1.547379      5.612033
  O      -4.715081     -2.645701      6.157996
  C      -6.650969     -1.145031      6.964085
  O      -6.833474     -1.601941      8.043631
  Cl     -5.633342      0.385827      6.753025
  C      -7.931427     -4.167378      4.317852
  C      -3.558669     -5.478477      6.427739
  C      -2.339208     -5.501910      7.137096
  C      -2.309267     -5.420041      8.528566
  C      -3.505253     -5.318197      9.220363
  F      -3.471910     -5.215735     10.572968
  C      -4.741590     -5.305681      8.556897
  C      -6.022309     -5.209426      9.267872
  O      -7.112002     -5.034812      8.733795
  C      -6.132106     -5.457105     10.777432
  O      -6.135737     -6.571329     11.243734
  C      -6.389157     -4.176555     11.606751
  O      -6.135032     -3.081252     11.205134
  Cl     -7.003075     -4.513210     13.242166
  C      -4.747966     -5.386201      7.158273
  H      -2.660651     -1.924512      4.582910
  H      -2.677675      0.548017      4.962560
  H      -4.858935     -1.361629      0.908435
  H      -7.739325     -7.540474      4.743924
  H      -9.306928     -6.950289      6.592811
  H      -7.573215     -3.394320      3.646328
  H      -1.394389     -5.555450      6.595537
  H      -1.366608     -5.419859      9.075811
  H      -5.711492     -5.384114      6.645206
  N      -5.301724     -3.018106      5.106386
  N      -6.301223     -2.008055      4.609358
  H      -5.707530     -1.198928      4.383156
  H      -7.663083     -0.606118      5.191894
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.587148079253
  N      -3.812402     -3.226122      2.590691
  C      -3.463416     -3.765617      1.268689
  C      -2.933757     -5.173168      1.470213
  N      -3.871968     -5.937772      2.336530
  C      -4.992987     -6.520990      1.551182
  C      -6.170091     -6.776446      2.475409
  N      -6.371278     -5.569829      3.269090
  Mo     -4.780718     -4.465616      3.839281
  N      -3.595823     -5.531270      5.024592
  C      -2.549166     -6.324292      4.364238
  C      -3.157997     -6.971115      3.131916
  H      -2.182314     -7.113726      5.039503
  H      -1.679326     -5.698618      4.092798
  H      -3.897175     -7.716155      3.454294
  H      -2.398785     -7.479102      2.512988
  H      -7.069538     -7.000172      1.877034
  H      -5.984130     -7.660251      3.115351
  H      -5.284511     -5.776835      0.797171
  H      -4.665292     -7.436395      1.029790
  H      -2.682503     -3.145945      0.798247
  H      -4.328840     -3.765074      0.580434
  H      -1.969569     -5.117370      1.993218
  H      -2.778807     -5.700062      0.513482
  C      -3.767652     -1.825873      2.724202
  C      -3.155892     -1.261054      3.865944
  C      -3.159627      0.112919      4.085888
  C      -3.766430      0.934368      3.147322
  F      -3.786063      2.274393      3.370637
  C      -4.363755      0.423962      1.986622
  C      -5.082076      1.269486      1.019149
  O      -5.588977      0.856465     -0.016825
  C      -5.261677      2.779472      1.280748
  O      -4.653806      3.627458      0.677500
  C      -6.403169      3.084043      2.287890
  O      -7.025589      2.219295      2.834049
  Cl     -6.672942      4.812424      2.549978
  C      -4.343455     -0.966498      1.782739
  C      -7.495023     -5.470642      4.110861
  C      -8.032620     -6.497771      4.908361
  C      -8.894841     -6.169977      5.960048
  C      -9.152959     -4.835227      6.263455
  F      -9.863515     -4.552431      7.370357
  C      -8.639656     -3.795416      5.465198
  C      -8.588317     -2.380606      5.899088
  O      -9.460578     -1.813966      6.532311
  C      -7.282633     -1.548601      5.618113
  O      -4.738114     -2.659667      6.175806
  C      -6.663139     -1.163854      6.977111
  O      -6.858978     -1.628356      8.051212
  Cl     -5.634195      0.362470      6.786217
  C      -7.943151     -4.167891      4.315995
  C      -3.551795     -5.470707      6.428376
  C      -2.330168     -5.468222      7.133909
  C      -2.299054     -5.386878      8.525417
  C      -3.495458     -5.310349      9.220207
  F      -3.460822     -5.208430     10.572610
  C      -4.733384     -5.322748      8.559897
  C      -6.014689     -5.252177      9.272761
  O      -7.108474     -5.100433      8.739758
  C      -6.117438     -5.498058     10.783108
  O      -6.103732     -6.611058     11.252082
  C      -6.390245     -4.218965     11.609434
  O      -6.157801     -3.121172     11.201359
  Cl     -6.986463     -4.559384     13.250414
  C      -4.740890     -5.403952      7.161223
  H      -2.698620     -1.925310      4.599332
  H      -2.710987      0.546706      4.978848
  H      -4.844500     -1.353423      0.894469
  H      -7.738771     -7.538116      4.761942
  H      -9.306313     -6.942738      6.609739
  H      -7.590402     -3.397708      3.639038
  H      -1.386168     -5.502130      6.589234
  H      -1.355321     -5.367427      9.070465
  H      -5.705262     -5.422288      6.649967
  N      -5.312609     -3.023693      5.114832
  N      -6.311407     -2.012995      4.616213
  H      -5.715452     -1.207957      4.381763
  H      -7.659771     -0.600716      5.203533
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.587274841972
  N      -3.822189     -3.221874      2.593802
  C      -3.479484     -3.760153      1.269899
  C      -2.944635     -5.166291      1.468445
  N      -3.876356     -5.934058      2.339273
  C      -4.997815     -6.522567      1.558425
  C      -6.172197     -6.779427      2.485929
  N      -6.375957     -5.572000      3.278096
  Mo     -4.785330     -4.465391      3.844467
  N      -3.591631     -5.524405      5.024436
  C      -2.543224     -6.312987      4.361065
  C      -3.154876     -6.964154      3.132250
  H      -2.169060     -7.098745      5.036452
  H      -1.678594     -5.682644      4.084071
  H      -3.889967     -7.711405      3.459017
  H      -2.396861     -7.470111      2.510218
  H      -7.071966     -7.006999      1.889505
  H      -5.982272     -7.661666      3.126898
  H      -5.293485     -5.781567      0.802906
  H      -4.668555     -7.438448      1.038887
  H      -2.703015     -3.138256      0.795000
  H      -4.348859     -3.762666      0.586634
  H      -1.977736     -5.107943      1.986080
  H      -2.793455     -5.692223      0.510624
  C      -3.782015     -1.822136      2.727660
  C      -3.185211     -1.258191      3.878488
  C      -3.186652      0.115385      4.097715
  C      -3.774764      0.939236      3.149079
  F      -3.789926      2.279366      3.371232
  C      -4.356556      0.430268      1.980243
  C      -5.055103      1.278196      1.000740
  O      -5.560477      0.865164     -0.036050
  C      -5.208448      2.793291      1.246426
  O      -4.568339      3.624258      0.653044
  C      -6.367492      3.127948      2.224472
  O      -7.007892      2.279673      2.775574
  Cl     -6.625008      4.863722      2.448337
  C      -4.340035     -0.960921      1.777580
  C      -7.501561     -5.473537      4.117493
  C      -8.035482     -6.499814      4.918572
  C      -8.896868     -6.171328      5.970525
  C      -9.157555     -4.836386      6.270619
  F      -9.864277     -4.551661      7.379666
  C      -8.649611     -3.797717      5.467690
  C      -8.601797     -2.381777      5.898976
  O      -9.478906     -1.812995      6.523175
  C      -7.291007     -1.553124      5.628520
  O      -4.767301     -2.680135      6.199692
  C      -6.673979     -1.180986      6.991799
  O      -6.881754     -1.644769      8.063835
  Cl     -5.632950      0.340853      6.810198
  C      -7.954381     -4.171484      4.318231
  C      -3.546955     -5.466753      6.428717
  C      -2.324101     -5.441089      7.131339
  C      -2.292176     -5.359925      8.522774
  C      -3.488742     -5.305789      9.219684
  F      -3.453307     -5.203679     10.571964
  C      -4.727515     -5.340641      8.561946
  C      -6.008363     -5.288821      9.277305
  O      -7.105121     -5.153164      8.746053
  C      -6.103481     -5.534539     10.788336
  O      -6.076673     -6.646862     11.258225
  C      -6.385479     -4.256973     11.613890
  O      -6.170587     -3.157551     11.200482
  Cl     -6.964240     -4.600259     13.260229
  C      -4.735717     -5.423013      7.163242
  H      -2.740513     -1.923729      4.618460
  H      -2.749332      0.547545      4.997052
  H      -4.829183     -1.344371      0.881204
  H      -7.738249     -7.539629      4.775340
  H      -9.304571     -6.942809      6.624106
  H      -7.605624     -3.402793      3.637763
  H      -1.381204     -5.457322      6.583863
  H      -1.348208     -5.323007      9.066529
  H      -5.700475     -5.459162      6.653536
  N      -5.325878     -3.032354      5.126518
  N      -6.321899     -2.020636      4.627025
  H      -5.724117     -1.219511      4.385652
  H      -7.660643     -0.600937      5.218899
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.587426884220
  N      -3.830209     -3.217006      2.597154
  C      -3.495247     -3.754080      1.271054
  C      -2.953264     -5.157964      1.466869
  N      -3.878020     -5.929233      2.341802
  C      -5.001080     -6.521222      1.565752
  C      -6.172498     -6.778509      2.496764
  N      -6.379135     -5.569828      3.286810
  Mo     -4.787432     -4.464403      3.851203
  N      -3.585825     -5.520923      5.024069
  C      -2.535966     -6.304497      4.357608
  C      -3.149619     -6.957546      3.130589
  H      -2.155580     -7.088221      5.031738
  H      -1.675713     -5.669784      4.077081
  H      -3.880805     -7.707683      3.459629
  H      -2.392312     -7.460110      2.504999
  H      -7.072524     -7.010236      1.902316
  H      -5.978628     -7.658621      3.139474
  H      -5.300244     -5.782884      0.809029
  H      -4.671875     -7.437976      1.047704
  H      -2.725142     -3.128846      0.790246
  H      -4.369678     -3.761153      0.594259
  H      -1.984286     -5.095628      1.980144
  H      -2.804341     -5.683119      0.508279
  C      -3.794923     -1.817839      2.730521
  C      -3.217190     -1.254208      3.891981
  C      -3.217958      0.118953      4.110355
  C      -3.785478      0.944765      3.150601
  F      -3.798851      2.284821      3.372017
  C      -4.347093      0.436724      1.972000
  C      -5.024158      1.286520      0.979518
  O      -5.520767      0.874416     -0.061901
  C      -5.162014      2.804369      1.215020
  O      -4.493563      3.624644      0.638451
  C      -6.344081      3.157576      2.159468
  O      -6.997401      2.319620      2.711226
  Cl     -6.603835      4.897452      2.347151
  C      -4.331663     -0.955008      1.769979
  C      -7.506744     -5.472849      4.123783
  C      -8.038485     -6.498836      4.926605
  C      -8.899576     -6.170838      5.978999
  C      -9.161991     -4.835996      6.277789
  F      -9.865822     -4.549607      7.388236
  C      -8.657734     -3.797928      5.471871
  C      -8.612879     -2.380888      5.900660
  O      -9.494387     -1.809632      6.515859
  C      -7.296859     -1.556122      5.640764
  O      -4.800826     -2.704222      6.229245
  C      -6.681910     -1.194247      7.007067
  O      -6.905867     -1.650543      8.078951
  Cl     -5.623925      0.318832      6.830012
  C      -7.964008     -4.171674      4.321740
  C      -3.542710     -5.468695      6.428931
  C      -2.319666     -5.426433      7.130488
  C      -2.287937     -5.346615      8.521782
  C      -3.485067     -5.309414      9.219146
  F      -3.450118     -5.207865     10.571574
  C      -4.723655     -5.360147      8.562515
  C      -6.004040     -5.317882      9.279719
  O      -7.101957     -5.187598      8.749906
  C      -6.092207     -5.564921     10.791362
  O      -6.061068     -6.677604     11.259900
  C      -6.371733     -4.288144     11.619046
  O      -6.165140     -3.188242     11.202576
  Cl     -6.935458     -4.632494     13.270061
  C      -4.731511     -5.442771      7.163687
  H      -2.786145     -1.919956      4.639881
  H      -2.794770      0.549883      5.016995
  H      -4.805153     -1.335486      0.863979
  H      -7.738679     -7.538144      4.784985
  H      -9.304842     -6.941929      6.634560
  H      -7.617726     -3.403146      3.640025
  H      -1.377697     -5.429118      6.581116
  H      -1.344752     -5.297279      9.065935
  H      -5.696263     -5.491105      6.654832
  N      -5.340101     -3.041368      5.140618
  N      -6.329901     -2.026963      4.640098
  H      -5.728587     -1.230065      4.393740
  H      -7.658926     -0.598629      5.236049
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.587600767645
  N      -3.838686     -3.210406      2.601215
  C      -3.513133     -3.746378      1.272418
  C      -2.961183     -5.146640      1.465124
  N      -3.877375     -5.922579      2.344147
  C      -5.003044     -6.517572      1.574061
  C      -6.170065     -6.776169      2.509940
  N      -6.380235     -5.566033      3.297529
  Mo     -4.787535     -4.462222      3.860102
  N      -3.578198     -5.519459      5.024195
  C      -2.526493     -6.296247      4.353745
  C      -3.141064     -6.949502      3.127028
  H      -2.139882     -7.079498      5.024802
  H      -1.670407     -5.656642      4.071649
  H      -3.867286     -7.704152      3.456749
  H      -2.383533     -7.446431      2.497276
  H      -7.070652     -7.013089      1.918341
  H      -5.971073     -7.653613      3.154657
  H      -5.306971     -5.781401      0.817181
  H      -4.674674     -7.434773      1.056243
  H      -2.752048     -3.116267      0.783734
  H      -4.393956     -3.759839      0.603990
  H      -1.990551     -5.078071      1.974538
  H      -2.812926     -5.670973      0.505965
  C      -3.806786     -1.811720      2.732788
  C      -3.246224     -1.247242      3.902785
  C      -3.246855      0.126029      4.118999
  C      -3.796171      0.952649      3.149001
  F      -3.808923      2.292715      3.368562
  C      -4.338697      0.444111      1.961973
  C      -4.996010      1.294235      0.957016
  O      -5.481680      0.881882     -0.089616
  C      -5.122784      2.814586      1.180284
  O      -4.430555      3.624395      0.617154
  C      -6.324486      3.186127      2.092703
  O      -6.988768      2.359145      2.647706
  Cl     -6.587046      4.929591      2.241264
  C      -4.323954     -0.948120      1.762226
  C      -7.509672     -5.472049      4.132550
  C      -8.039145     -6.498107      4.936412
  C      -8.900488     -6.171078      5.989104
  C      -9.164955     -4.836583      6.287035
  F      -9.866846     -4.548773      7.398208
  C      -8.663756     -3.798370      5.478926
  C      -8.622062     -2.380249      5.905093
  O      -9.507999     -1.806396      6.511174
  C      -7.302266     -1.558752      5.653519
  O      -4.839661     -2.730046      6.262684
  C      -6.688158     -1.202198      7.021067
  O      -6.928819     -1.643952      8.095281
  Cl     -5.610998      0.300261      6.841983
  C      -7.971985     -4.172063      4.328398
  C      -3.538535     -5.475380      6.429715
  C      -2.316331     -5.426055      7.132593
  C      -2.285939     -5.349863      8.523822
  C      -3.484334     -5.323230      9.219625
  F      -3.451273     -5.223958     10.572556
  C      -4.721976     -5.381629      8.562128
  C      -6.002332     -5.341483      9.280181
  O      -7.100000     -5.209078      8.751142
  C      -6.085093     -5.592303     10.792060
  O      -6.053448     -6.706410     11.256937
  C      -6.358668     -4.317264     11.624709
  O      -6.154955     -3.216584     11.208850
  Cl     -6.912584     -4.664907     13.278085
  C      -4.728287     -5.461421      7.163035
  H      -2.826754     -1.911560      4.658599
  H      -2.836253      0.557002      5.031358
  H      -4.782164     -1.327785      0.848091
  H      -7.736309     -7.536753      4.796149
  H      -9.303563     -6.942415      6.645717
  H      -7.626034     -3.403191      3.646778
  H      -1.374573     -5.419955      6.582834
  H      -1.344351     -5.294818      9.070188
  H      -5.692675     -5.514618      6.653898
  N      -5.355369     -3.050906      5.156977
  N      -6.336261     -2.033423      4.654177
  H      -5.732163     -1.239991      4.404376
  H      -7.658278     -0.597445      5.252562
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.587789934953
  N      -3.847346     -3.202319      2.605350
  C      -3.532757     -3.738151      1.273713
  C      -2.970527     -5.134583      1.462775
  N      -3.876835     -5.915177      2.347001
  C      -5.006018     -6.513399      1.584518
  C      -6.167135     -6.773256      2.526995
  N      -6.379654     -5.561040      3.311576
  Mo     -4.785766     -4.458397      3.870351
  N      -3.568705     -5.517454      5.025223
  C      -2.515502     -6.286862      4.349619
  C      -3.131551     -6.940257      3.123482
  H      -2.122308     -7.070006      5.016940
  H      -1.663742     -5.642277      4.065948
  H      -3.851890     -7.700051      3.454295
  H      -2.373860     -7.430826      2.489010
  H      -7.069263     -7.015758      1.940002
  H      -5.961993     -7.647498      3.174003
  H      -5.316127     -5.779325      0.828149
  H      -4.679153     -7.430879      1.066198
  H      -2.781231     -3.103609      0.776087
  H      -4.420457     -3.757854      0.614593
  H      -1.997678     -5.059389      1.967125
  H      -2.823860     -5.658310      0.503007
  C      -3.814640     -1.804293      2.734634
  C      -3.270308     -1.238679      3.911954
  C      -3.270427      0.135123      4.125272
  C      -3.803081      0.961816      3.145763
  F      -3.815723      2.302079      3.362701
  C      -4.327914      0.452122      1.951264
  C      -4.965951      1.301859      0.933952
  O      -5.439965      0.887990     -0.117665
  C      -5.091461      2.823519      1.146887
  O      -4.379691      3.626808      0.598807
  C      -6.316892      3.206545      2.021602
  O      -6.994935      2.386991      2.570661
  Cl     -6.583294      4.951955      2.139917
  C      -4.313731     -0.940389      1.754582
  C      -7.510962     -5.468847      4.144742
  C      -8.037567     -6.493871      4.951428
  C      -8.899726     -6.166401      6.003573
  C      -9.166750     -4.831824      6.298220
  F      -9.867386     -4.541279      7.409438
  C      -8.668549     -3.794643      5.486589
  C      -8.628983     -2.374777      5.908442
  O      -9.518783     -1.797301      6.505239
  C      -7.305486     -1.557914      5.663287
  O      -4.878053     -2.752051      6.295171
  C      -6.692242     -1.204316      7.032077
  O      -6.950191     -1.630173      8.108671
  Cl     -5.595074      0.285750      6.851012
  C      -7.978456     -4.170055      4.336081
  C      -3.532223     -5.483161      6.431255
  C      -2.311330     -5.432858      7.136522
  C      -2.282913     -5.363438      8.527975
  C      -3.482874     -5.344897      9.221423
  F      -3.452253     -5.250830     10.575065
  C      -4.719271     -5.405730      8.561868
  C      -6.000680     -5.368622      9.278916
  O      -7.097326     -5.233234      8.749180
  C      -6.081310     -5.623833     10.790542
  O      -6.050197     -6.739566     11.251414
  C      -6.353904     -4.351409     11.627732
  O      -6.152472     -3.249387     11.214317
  Cl     -6.901990     -4.704383     13.281798
  C      -4.723345     -5.478742      7.162392
  H      -2.862262     -1.901211      4.675721
  H      -2.871609      0.566737      5.042504
  H      -4.757680     -1.320694      0.833738
  H      -7.730910     -7.531899      4.814623
  H      -9.300154     -6.937251      6.662331
  H      -7.632264     -3.402237      3.653567
  H      -1.369161     -5.419954      6.587522
  H      -1.343004     -5.307133      9.077063
  H      -5.687066     -5.532893      6.652091
  N      -5.368983     -3.057902      5.173105
  N      -6.340514     -2.037673      4.666041
  H      -5.734232     -1.247107      4.412301
  H      -7.655716     -0.593106      5.264777
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.587991519486
  N      -3.860071     -3.191824      2.609525
  C      -3.557353     -3.728653      1.275056
  C      -2.982531     -5.120173      1.459979
  N      -3.876224     -5.906632      2.350757
  C      -5.009051     -6.509990      1.597903
  C      -6.161855     -6.772796      2.549211
  N      -6.376737     -5.558071      3.330253
  Mo     -4.783188     -4.453276      3.882368
  N      -3.557118     -5.513919      5.027757
  C      -2.501908     -6.273856      4.345384
  C      -3.119262     -6.928192      3.120284
  H      -2.100611     -7.056812      5.008132
  H      -1.655560     -5.623047      4.060067
  H      -3.831474     -7.694902      3.452708
  H      -2.360821     -7.410463      2.480422
  H      -7.066531     -7.022549      1.969258
  H      -5.947894     -7.642913      3.198739
  H      -5.328293     -5.778275      0.843064
  H      -4.683116     -7.426940      1.077995
  H      -2.816782     -3.089431      0.767115
  H      -4.452458     -3.755674      0.626380
  H      -2.006869     -5.036490      1.957703
  H      -2.837923     -5.643411      0.499576
  C      -3.822233     -1.794520      2.735426
  C      -3.291338     -1.226136      3.917269
  C      -3.291101      0.148975      4.125549
  C      -3.811023      0.973609      3.137345
  F      -3.826972      2.314358      3.350175
  C      -4.321380      0.460659      1.937602
  C      -4.943934      1.308024      0.909083
  O      -5.401629      0.891199     -0.148913
  C      -5.063565      2.832172      1.104275
  O      -4.332461      3.623463      0.563630
  C      -6.298045      3.235712      1.954542
  O      -6.991201      2.429153      2.503585
  Cl     -6.548008      4.984989      2.051787
  C      -4.307328     -0.931986      1.746304
  C      -7.510189     -5.467696      4.161571
  C      -8.031510     -6.491119      4.973355
  C      -8.896099     -6.162832      6.023482
  C      -9.168634     -4.828040      6.311565
  F      -9.869488     -4.534359      7.421925
  C      -8.674739     -3.792592      5.495034
  C      -8.637856     -2.370240      5.910840
  O      -9.531363     -1.789592      6.499029
  C      -7.312353     -1.557389      5.668799
  O      -4.919974     -2.769672      6.325966
  C      -6.700693     -1.202369      7.038882
  O      -6.976069     -1.611364      8.117822
  Cl     -5.586045      0.275387      6.856226
  C      -7.985090     -4.170771      4.345204
  C      -3.522896     -5.491098      6.434021
  C      -2.303692     -5.447321      7.142659
  C      -2.277711     -5.388403      8.534653
  C      -3.479382     -5.374418      9.225180
  F      -3.451627     -5.289141     10.579700
  C      -4.714376     -5.430830      8.562490
  C      -5.997822     -5.397496      9.276623
  O      -7.092938     -5.260739      8.744570
  C      -6.080571     -5.658533     10.787177
  O      -6.045796     -6.775842     11.244015
  C      -6.354100     -4.389504     11.629374
  O      -6.162883     -3.285213     11.217141
  Cl     -6.907655     -4.749201     13.280258
  C      -4.715818     -5.492679      7.162528
  H      -2.892637     -1.885532      4.688856
  H      -2.902195      0.583011      5.045824
  H      -4.739420     -1.315979      0.821434
  H      -7.718272     -7.528039      4.842823
  H      -9.292099     -6.932890      6.685739
  H      -7.638998     -3.405102      3.660360
  H      -1.360304     -5.430193      6.595803
  H      -1.339266     -5.336458      9.086592
  H      -5.678673     -5.542823      6.650282
  N      -5.383997     -3.063242      5.188481
  N      -6.347565     -2.041941      4.674656
  H      -5.741437     -1.252208      4.416909
  H      -7.659140     -0.590268      5.270899
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.588141131891
  N      -3.873729     -3.179797      2.614922
  C      -3.581932     -3.718190      1.277881
  C      -2.996115     -5.105502      1.457698
  N      -3.877208     -5.898040      2.354950
  C      -5.013060     -6.507125      1.611693
  C      -6.156926     -6.773692      2.572305
  N      -6.372720     -5.556705      3.350621
  Mo     -4.780285     -4.447530      3.894342
  N      -3.545802     -5.509153      5.031387
  C      -2.488818     -6.259486      4.341167
  C      -3.108159     -6.915404      3.117926
  H      -2.079034     -7.041878      4.999435
  H      -1.648382     -5.602290      4.053582
  H      -3.811662     -7.689081      3.452742
  H      -2.349249     -7.389482      2.472545
  H      -7.064915     -7.030076      2.000617
  H      -5.933605     -7.640023      3.223568
  H      -5.342451     -5.777457      0.859190
  H      -4.687321     -7.422773      1.089331
  H      -2.850702     -3.075679      0.760606
  H      -4.483575     -3.750889      0.638810
  H      -2.017068     -5.014602      1.947626
  H      -2.855043     -5.627689      0.496145
  C      -3.826088     -1.783387      2.738083
  C      -3.305960     -1.212701      3.922922
  C      -3.303195      0.164015      4.125660
  C      -3.811680      0.986376      3.129800
  F      -3.828844      2.327947      3.337385
  C      -4.311076      0.470353      1.926102
  C      -4.918808      1.315684      0.887315
  O      -5.368548      0.894542     -0.172822
  C      -5.037629      2.841239      1.067300
  O      -4.297200      3.622930      0.524521
  C      -6.282194      3.260177      1.891694
  O      -6.991500      2.463803      2.434631
  Cl     -6.527899      5.011490      1.959874
  C      -4.299403     -0.922241      1.740830
  C      -7.509225     -5.466500      4.178934
  C      -8.024338     -6.487387      4.997677
  C      -8.892841     -6.157098      6.043915
  C      -9.172372     -4.821721      6.322294
  F      -9.874196     -4.524385      7.431443
  C      -8.683020     -3.789195      5.499891
  C      -8.647748     -2.364168      5.909270
  O      -9.544644     -1.780257      6.489178
  C      -7.320064     -1.556262      5.669516
  O      -4.961293     -2.784058      6.353277
  C      -6.712173     -1.200449      7.042837
  O      -7.005019     -1.597172      8.122035
  Cl     -5.580152      0.263821      6.864504
  C      -7.991992     -4.171517      4.351666
  C      -3.512001     -5.498404      6.437549
  C      -2.294786     -5.464287      7.149769
  C      -2.271707     -5.418057      8.542555
  C      -3.474871     -5.407160      9.230281
  F      -3.450088     -5.332429     10.585497
  C      -4.708400     -5.456061      8.564017
  C      -5.994864     -5.429390      9.273138
  O      -7.088341     -5.295316      8.736858
  C      -6.084407     -5.692280     10.782551
  O      -6.054093     -6.810312     11.238210
  C      -6.371773     -4.425305     11.623106
  O      -6.160020     -3.320878     11.221514
  Cl     -6.894112     -4.791684     13.282876
  C      -4.706861     -5.504622      7.163572
  H      -2.916669     -1.869720      4.701506
  H      -2.921939      0.600445      5.047939
  H      -4.722483     -1.310616      0.813732
  H      -7.702923     -7.522934      4.876226
  H      -9.283519     -6.925418      6.711201
  H      -7.646164     -3.409503      3.662644
  H      -1.349516     -5.443558      6.606226
  H      -1.334210     -5.372892      9.096600
  H      -5.668538     -5.549023      6.648750
  N      -5.397608     -3.067153      5.202040
  N      -6.354773     -2.045340      4.679583
  H      -5.750127     -1.255466      4.417814
  H      -7.663567     -0.587318      5.271472
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.588384129943
  N      -3.887817     -3.170992      2.617434
  C      -3.605053     -3.710986      1.278852
  C      -3.012097     -5.095804      1.455115
  N      -3.882820     -5.892323      2.359382
  C      -5.019814     -6.509039      1.624448
  C      -6.157031     -6.777500      2.592496
  N      -6.373780     -5.558238      3.367606
  Mo     -4.782191     -4.443305      3.901989
  N      -3.538320     -5.499341      5.033142
  C      -2.479853     -6.242756      4.337089
  C      -3.102634     -6.904152      3.118458
  H      -2.060816     -7.021214      4.994091
  H      -1.646352     -5.579634      4.043494
  H      -3.798714     -7.682309      3.458499
  H      -2.344707     -7.373675      2.468601
  H      -7.067345     -7.040026      2.027487
  H      -5.925863     -7.640255      3.245743
  H      -5.357380     -5.783331      0.871664
  H      -4.692554     -7.424550      1.102825
  H      -2.880217     -3.067172      0.754198
  H      -4.511850     -3.748073      0.647522
  H      -2.029349     -5.000365      1.936696
  H      -2.876578     -5.617581      0.492550
  C      -3.835721     -1.775300      2.739650
  C      -3.328459     -1.204762      3.930144
  C      -3.319958      0.172339      4.130057
  C      -3.810034      0.995571      3.125938
  F      -3.818637      2.337954      3.328983
  C      -4.297092      0.479818      1.916998
  C      -4.882223      1.327038      0.867030
  O      -5.336528      0.904357     -0.190818
  C      -4.993527      2.853401      1.040579
  O      -4.239897      3.626586      0.503565
  C      -6.258515      3.284897      1.825591
  O      -6.982315      2.497011      2.361775
  Cl     -6.499176      5.037755      1.869748
  C      -4.292272     -0.913136      1.734964
  C      -7.513290     -5.466300      4.192318
  C      -8.022870     -6.483917      5.018709
  C      -8.893560     -6.150599      6.061758
  C      -9.178718     -4.814414      6.330378
  F      -9.878907     -4.512542      7.439799
  C      -8.694746     -3.785920      5.500761
  C      -8.661178     -2.358899      5.904130
  O      -9.561880     -1.771575      6.474358
  C      -7.328950     -1.556483      5.671367
  O      -4.998659     -2.799854      6.376230
  C      -6.726885     -1.208457      7.049970
  O      -7.035825     -1.600512      8.126522
  Cl     -5.577156      0.243288      6.881963
  C      -8.002639     -4.172710      4.353927
  C      -3.501488     -5.495732      6.439332
  C      -2.283699     -5.454992      7.149639
  C      -2.259127     -5.416699      8.542824
  C      -3.461072     -5.420137      9.232659
  F      -3.434694     -5.353480     10.588007
  C      -4.695229     -5.475689      8.568068
  C      -5.981300     -5.466422      9.277987
  O      -7.076748     -5.341625      8.742899
  C      -6.069578     -5.734281     10.786283
  O      -6.034044     -6.853300     11.239147
  C      -6.367088     -4.471278     11.629114
  O      -6.186670     -3.363377     11.221784
  Cl     -6.920750     -4.843322     13.277487
  C      -4.695246     -5.516249      7.167183
  H      -2.952345     -1.862538      4.714629
  H      -2.947137      0.608262      5.056016
  H      -4.705163     -1.300767      0.803030
  H      -7.694716     -7.518334      4.906140
  H      -9.279072     -6.915803      6.735539
  H      -7.659878     -3.414807      3.659025
  H      -1.339218     -5.423646      6.605147
  H      -1.320793     -5.367007      9.095042
  H      -5.657037     -5.567577      6.653233
  N      -5.411128     -3.070754      5.213154
  N      -6.363933     -2.049184      4.684762
  H      -5.758916     -1.261806      4.417026
  H      -7.666403     -0.584818      5.275114
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.588625032062
  N      -3.906498     -3.165789      2.616708
  C      -3.628369     -3.706869      1.277799
  C      -3.026821     -5.088355      1.453314
  N      -3.888028     -5.889306      2.363594
  C      -5.022721     -6.517128      1.634656
  C      -6.155502     -6.788660      2.607386
  N      -6.377671     -5.567619      3.378410
  Mo     -4.789931     -4.442933      3.905252
  N      -3.535771     -5.487117      5.033980
  C      -2.473383     -6.223244      4.335338
  C      -3.096389     -6.893230      3.121368
  H      -2.044361     -6.995172      4.993368
  H      -1.648074     -5.552903      4.035397
  H      -3.784782     -7.676027      3.466472
  H      -2.337935     -7.358467      2.469026
  H      -7.065841     -7.059532      2.046500
  H      -5.916248     -7.647136      3.263429
  H      -5.367469     -5.797430      0.879303
  H      -4.690275     -7.432689      1.116475
  H      -2.909683     -3.060831      0.747456
  H      -4.538851     -3.750768      0.652278
  H      -2.041677     -4.986941      1.928614
  H      -2.894352     -5.610266      0.490431
  C      -3.857322     -1.770452      2.738913
  C      -3.365430     -1.200391      3.936699
  C      -3.352478      0.176256      4.135667
  C      -3.821224      1.001373      3.123095
  F      -3.820228      2.344258      3.323154
  C      -4.294236      0.486958      1.908523
  C      -4.856825      1.337598      0.849336
  O      -5.298910      0.918886     -0.215175
  C      -4.934582      2.866944      1.012425
  O      -4.138686      3.619117      0.507472
  C      -6.197027      3.332245      1.783754
  O      -6.948165      2.563910      2.310751
  Cl     -6.385548      5.091391      1.834243
  C      -4.295341     -0.906638      1.727454
  C      -7.520959     -5.475907      4.198036
  C      -8.025100     -6.491144      5.030923
  C      -8.898631     -6.156366      6.070624
  C      -9.191292     -4.819950      6.330184
  F      -9.890981     -4.514616      7.439326
  C      -8.713939     -3.794689      5.493630
  C      -8.686116     -2.366018      5.891394
  O      -9.591978     -1.777579      6.451580
  C      -7.350315     -1.565269      5.668409
  O      -5.044809     -2.820965      6.394050
  C      -6.756907     -1.225495      7.052403
  O      -7.082553     -1.611978      8.125994
  Cl     -5.595904      0.219593      6.893440
  C      -8.018873     -4.184267      4.349061
  C      -3.496244     -5.486813      6.440388
  C      -2.277032     -5.430069      7.146818
  C      -2.249382     -5.394560      8.540024
  C      -3.448988     -5.416308      9.233572
  F      -3.419740     -5.353977     10.588809
  C      -4.684250     -5.486715      8.572715
  C      -5.967318     -5.495375      9.287289
  O      -7.066646     -5.382919      8.756934
  C      -6.047803     -5.764234     10.795901
  O      -5.994863     -6.882105     11.249763
  C      -6.340883     -4.501675     11.641041
  O      -6.179746     -3.393287     11.226952
  Cl     -6.880125     -4.873741     13.293976
  C      -4.687530     -5.525070      7.171502
  H      -3.002928     -1.859803      4.726228
  H      -2.989996      0.610594      5.066503
  H      -4.696635     -1.291028      0.789158
  H      -7.689456     -7.523973      4.926453
  H      -9.279187     -6.918695      6.750475
  H      -7.681065     -3.429363      3.648720
  H      -1.334706     -5.385548      6.599484
  H      -1.309907     -5.333657      9.089231
  H      -5.649817     -5.589591      6.659921
  N      -5.432923     -3.078473      5.219506
  N      -6.383040     -2.059008      4.685855
  H      -5.777225     -1.274494      4.413153
  H      -7.682799     -0.591849      5.273756
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.588859335174
  N      -3.928226     -3.158395      2.617557
  C      -3.655433     -3.700124      1.277856
  C      -3.044197     -5.077849      1.450964
  N      -3.893935     -5.884471      2.367670
  C      -5.026484     -6.524023      1.645914
  C      -6.152681     -6.800604      2.625120
  N      -6.379682     -5.578439      3.393262
  Mo     -4.796803     -4.441898      3.910280
  N      -3.531294     -5.474496      5.035574
  C      -2.465274     -6.201775      4.331898
  C      -3.088797     -6.879849      3.122683
  H      -2.024937     -6.967623      4.989345
  H      -1.649131     -5.523303      4.025640
  H      -3.767819     -7.668576      3.472825
  H      -2.329801     -7.339161      2.466767
  H      -7.063900     -7.080300      2.070202
  H      -5.903127     -7.654806      3.282948
  H      -5.380613     -5.809972      0.889458
  H      -4.688462     -7.438562      1.129617
  H      -2.943713     -3.051535      0.741302
  H      -4.570216     -3.750785      0.659256
  H      -2.056246     -4.970053      1.918877
  H      -2.915550     -5.599188      0.487268
  C      -3.878241     -1.763496      2.740429
  C      -3.396364     -1.194227      3.943042
  C      -3.377078      0.182168      4.140602
  C      -3.828131      1.008867      3.121615
  F      -3.820065      2.352044      3.320074
  C      -4.292084      0.495792      1.903151
  C      -4.836355      1.349469      0.836977
  O      -5.268435      0.933725     -0.232799
  C      -4.871483      2.881454      0.986213
  O      -4.053915      3.606504      0.476153
  C      -6.133018      3.388362      1.732858
  O      -6.901720      2.646803      2.272891
  Cl     -6.272946      5.152504      1.764879
  C      -4.301306     -0.898222      1.723736
  C      -7.526393     -5.487166      4.208088
  C      -8.023689     -6.499947      5.048257
  C      -8.900195     -6.163811      6.084524
  C      -9.202060     -4.827181      6.333681
  F      -9.902004     -4.518669      7.442192
  C      -8.732722     -3.805171      5.489461
  C      -8.710996     -2.374414      5.881231
  O      -9.621428     -1.785278      6.432637
  C      -7.372788     -1.574603      5.665350
  O      -5.093139     -2.843055      6.411823
  C      -6.787671     -1.240716      7.054157
  O      -7.128553     -1.621821      8.124976
  Cl     -5.613897      0.195496      6.903473
  C      -8.033839     -4.197733      4.347676
  C      -3.487923     -5.479779      6.441966
  C      -2.267575     -5.413063      7.145373
  C      -2.237341     -5.383508      8.538808
  C      -3.434723     -5.420710      9.235470
  F      -3.403107     -5.364541     10.590683
  C      -4.670864     -5.500990      8.577259
  C      -5.951619     -5.526010      9.294563
  O      -7.054081     -5.430303      8.766640
  C      -6.027921     -5.793618     10.803367
  O      -5.966636     -6.910109     11.259535
  C      -6.332874     -4.531726     11.645359
  O      -6.180335     -3.422943     11.228893
  Cl     -6.860632     -4.904406     13.301729
  C      -4.676842     -5.533555      7.175898
  H      -3.044884     -1.855475      4.736041
  H      -3.021840      0.614976      5.074945
  H      -4.695230     -1.280263      0.781400
  H      -7.679190     -7.530707      4.952679
  H      -9.274769     -6.923109      6.771065
  H      -7.701261     -3.445998      3.641276
  H      -1.326857     -5.356384      6.596445
  H      -1.296688     -5.315208      9.085173
  H      -5.639373     -5.606202      6.665968
  N      -5.454358     -3.086883      5.226528
  N      -6.402505     -2.068770      4.687133
  H      -5.796979     -1.285689      4.410675
  H      -7.701978     -0.600262      5.271547
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.589038183503
  N      -3.953373     -3.150388      2.618541
  C      -3.683877     -3.692607      1.278343
  C      -3.064780     -5.067422      1.448475
  N      -3.903125     -5.879824      2.371664
  C      -5.032143     -6.532836      1.657047
  C      -6.150581     -6.816281      2.643638
  N      -6.381126     -5.593910      3.410429
  Mo     -4.804926     -4.440974      3.913944
  N      -3.527763     -5.458656      5.038029
  C      -2.458607     -6.177377      4.327491
  C      -3.083177     -6.865051      3.124594
  H      -2.005510     -6.936047      4.984322
  H      -1.652980     -5.490253      4.013326
  H      -3.751776     -7.659802      3.481047
  H      -2.323950     -7.318770      2.465021
  H      -7.063342     -7.104829      2.096135
  H      -5.888843     -7.666539      3.301940
  H      -5.397145     -5.824658      0.900098
  H      -4.686579     -7.445253      1.142144
  H      -2.977050     -3.042864      0.736810
  H      -4.602352     -3.748497      0.665884
  H      -2.073629     -4.954861      1.908237
  H      -2.941500     -5.587639      0.483490
  C      -3.898136     -1.755835      2.743743
  C      -3.417298     -1.188427      3.947966
  C      -3.386034      0.187623      4.143320
  C      -3.822322      1.016166      3.120037
  F      -3.803353      2.359783      3.316803
  C      -4.286123      0.505392      1.900516
  C      -4.814534      1.363663      0.829917
  O      -5.257159      0.951253     -0.236642
  C      -4.806533      2.896648      0.971737
  O      -3.977806      3.597077      0.445730
  C      -6.052049      3.439423      1.720313
  O      -6.854689      2.718627      2.239071
  Cl     -6.179352      5.204585      1.692626
  C      -4.310295     -0.889034      1.723858
  C      -7.531117     -5.501260      4.219575
  C      -8.020936     -6.510470      5.068726
  C      -8.900765     -6.171479      6.100506
  C      -9.213811     -4.834240      6.335821
  F      -9.915173     -4.522009      7.442996
  C      -8.753910     -3.816659      5.482122
  C      -8.738938     -2.383261      5.866794
  O      -9.653210     -1.793655      6.410562
  C      -7.399186     -1.583084      5.654923
  O      -5.142330     -2.864161      6.422077
  C      -6.823704     -1.253330      7.048608
  O      -7.176918     -1.632878      8.116075
  Cl     -5.636765      0.172497      6.906520
  C      -8.048343     -4.213595      4.345233
  C      -3.477127     -5.469608      6.444074
  C      -2.254952     -5.395818      7.143489
  C      -2.221277     -5.374745      8.537400
  C      -3.415458     -5.426818      9.238441
  F      -3.380441     -5.378785     10.593458
  C      -4.653103     -5.514543      8.583278
  C      -5.931060     -5.558501      9.302650
  O      -7.036984     -5.486916      8.776532
  C      -6.006891     -5.819433     10.811899
  O      -5.938700     -6.932355     11.275792
  C      -6.335950     -4.555886     11.642283
  O      -6.189930     -3.448007     11.220593
  Cl     -6.859161     -4.923458     13.301130
  C      -4.662653     -5.538262      7.182061
  H      -3.074349     -1.853273      4.741650
  H      -3.031933      0.618215      5.079124
  H      -4.704385     -1.268172      0.780455
  H      -7.666488     -7.538794      4.984142
  H      -9.268858     -6.926122      6.795651
  H      -7.722152     -3.465982      3.630671
  H      -1.315843     -5.326482      6.593431
  H      -1.278383     -5.300740      9.079217
  H      -5.625555     -5.616372      6.673941
  N      -5.474534     -3.095171      5.228583
  N      -6.423929     -2.077083      4.682244
  H      -5.819710     -1.294389      4.403598
  H      -7.726494     -0.609869      5.260075
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.589234377067
  N      -3.971194     -3.141612      2.619873
  C      -3.708562     -3.685335      1.278799
  C      -3.079403     -5.055848      1.446701
  N      -3.906801     -5.872762      2.375701
  C      -5.035531     -6.534520      1.668633
  C      -6.147039     -6.821697      2.662019
  N      -6.381764     -5.598054      3.426016
  Mo     -4.809016     -4.437111      3.920757
  N      -3.521488     -5.446728      5.039941
  C      -2.450101     -6.157324      4.324290
  C      -3.075535     -6.851202      3.125140
  H      -1.987317     -6.911744      4.979199
  H      -1.652057     -5.463686      4.005412
  H      -3.735843     -7.651093      3.485586
  H      -2.316092     -7.299331      2.462040
  H      -7.060719     -7.117984      2.120296
  H      -5.876282     -7.667853      3.321898
  H      -5.408791     -5.830944      0.911419
  H      -4.687043     -7.446410      1.154768
  H      -3.010144     -3.032505      0.730135
  H      -4.631512     -3.748325      0.673884
  H      -2.086223     -4.936210      1.900317
  H      -2.958618     -5.576212      0.481463
  C      -3.913513     -1.747570      2.742630
  C      -3.444447     -1.178692      3.951061
  C      -3.407187      0.197993      4.142175
  C      -3.824385      1.026237      3.110377
  F      -3.796458      2.370490      3.302103
  C      -4.274531      0.514166      1.886265
  C      -4.774318      1.372022      0.801225
  O      -5.228658      0.956782     -0.259265
  C      -4.762578      2.905999      0.936485
  O      -3.913319      3.598732      0.433750
  C      -6.014575      3.459899      1.665027
  O      -6.821326      2.746880      2.187520
  Cl     -6.101285      5.227879      1.676945
  C      -4.307441     -0.880665      1.715241
  C      -7.534726     -5.506269      4.231170
  C      -8.019449     -6.512765      5.086395
  C      -8.901938     -6.172645      6.115420
  C      -9.222125     -4.835717      6.341900
  F      -9.923731     -4.519615      7.448022
  C      -8.768005     -3.821165      5.481599
  C      -8.758562     -2.385793      5.860072
  O      -9.677364     -1.794327      6.393808
  C      -7.416336     -1.587854      5.655304
  O      -5.193053     -2.887955      6.442948
  C      -6.845882     -1.262566      7.052487
  O      -7.212943     -1.632214      8.118733
  Cl     -5.642410      0.151788      6.915833
  C      -8.059990     -4.221076      4.347197
  C      -3.470045     -5.465190      6.446051
  C      -2.248544     -5.384778      7.145997
  C      -2.214844     -5.371380      8.540028
  C      -3.408489     -5.438044      9.240610
  F      -3.373673     -5.396211     10.595886
  C      -4.645482     -5.534131      8.584937
  C      -5.922949     -5.592440      9.304210
  O      -7.029676     -5.529722      8.778572
  C      -5.996417     -5.850074     10.814245
  O      -5.919511     -6.960995     11.281505
  C      -6.331581     -4.585882     11.641407
  O      -6.186215     -3.478546     11.218084
  Cl     -6.832007     -4.951122     13.307604
  C      -4.654867     -5.549441      7.183577
  H      -3.113526     -1.842739      4.750616
  H      -3.061384      0.629297      5.080719
  H      -4.690005     -1.260167      0.767293
  H      -7.657784     -7.539174      5.009113
  H      -9.265354     -6.924689      6.815764
  H      -7.736823     -3.476515      3.628180
  H      -1.310115     -5.303324      6.596409
  H      -1.272663     -5.291648      9.082239
  H      -5.617076     -5.633221      6.675128
  N      -5.495692     -3.102039      5.238047
  N      -6.439117     -2.083541      4.686633
  H      -5.833839     -1.302619      4.404730
  H      -7.739932     -0.612505      5.261745
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.589568568917
  N      -3.981641     -3.135849      2.620971
  C      -3.726943     -3.680726      1.278790
  C      -3.089124     -5.047592      1.444942
  N      -3.907527     -5.867334      2.379062
  C      -5.037900     -6.534154      1.678921
  C      -6.144291     -6.822088      2.677715
  N      -6.382097     -5.596771      3.438649
  Mo     -4.809921     -4.433924      3.927700
  N      -3.514248     -5.439857      5.040972
  C      -2.441894     -6.144472      4.322002
  C      -3.068516     -6.841823      3.124923
  H      -1.972561     -6.896586      4.974937
  H      -1.648632     -5.446678      4.000364
  H      -3.723360     -7.645141      3.487784
  H      -2.309289     -7.285867      2.458874
  H      -7.058557     -7.123926      2.140036
  H      -5.867795     -7.664798      3.339540
  H      -5.416334     -5.833985      0.921209
  H      -4.689498     -7.446823      1.166294
  H      -3.036802     -3.024745      0.723486
  H      -4.654051     -3.749814      0.680930
  H      -2.094554     -4.921645      1.893896
  H      -2.969876     -5.568677      0.479880
  C      -3.922558     -1.742556      2.742609
  C      -3.465936     -1.174812      3.956668
  C      -3.425325      0.201677      4.147938
  C      -3.827935      1.031850      3.111617
  F      -3.794184      2.375888      3.303005
  C      -4.266065      0.521062      1.882808
  C      -4.751173      1.380106      0.792240
  O      -5.183209      0.966218     -0.278089
  C      -4.729985      2.914359      0.922325
  O      -3.861182      3.598031      0.440952
  C      -6.003116      3.482097      1.602126
  O      -6.830007      2.778706      2.105803
  Cl     -6.079117      5.250718      1.595295
  C      -4.300038     -0.873533      1.710740
  C      -7.537620     -5.504870      4.240762
  C      -8.021079     -6.508515      5.099851
  C      -8.905997     -6.166827      6.126530
  C      -9.229140     -4.830011      6.347141
  F      -9.931276     -4.509090      7.451503
  C      -8.776455     -3.818488      5.482324
  C      -8.770211     -2.381372      5.854273
  O      -9.692925     -1.786225      6.376788
  C      -7.424101     -1.588131      5.658587
  O      -5.236245     -2.911085      6.464997
  C      -6.857112     -1.267347      7.057921
  O      -7.239139     -1.622286      8.123839
  Cl     -5.633941      0.132634      6.923390
  C      -8.067645     -4.221391      4.349702
  C      -3.464486     -5.465720      6.447283
  C      -2.243722     -5.379958      7.147913
  C      -2.209730     -5.372644      8.541761
  C      -3.403197     -5.451395      9.241420
  F      -3.368255     -5.414657     10.597024
  C      -4.639489     -5.554414      8.585489
  C      -5.916489     -5.622363      9.305650
  O      -7.023559     -5.561902      8.781132
  C      -5.984525     -5.881347     10.816229
  O      -5.901847     -6.992383     11.282035
  C      -6.315291     -4.618158     11.646912
  O      -6.182814     -3.510440     11.220507
  Cl     -6.816892     -4.985272     13.312151
  C      -4.648895     -5.563372      7.183810
  H      -3.145324     -1.838996      4.760463
  H      -3.087556      0.631689      5.089994
  H      -4.672617     -1.251156      0.758086
  H      -7.655904     -7.534095      5.027578
  H      -9.267806     -6.916834      6.829810
  H      -7.745209     -3.479268      3.628534
  H      -1.306294     -5.289260      6.597885
  H      -1.268781     -5.288618      9.085395
  H      -5.610723     -5.652598      6.675512
  N      -5.512539     -3.107550      5.248781
  N      -6.446335     -2.087282      4.693499
  H      -5.837173     -1.309894      4.408952
  H      -7.741636     -0.608996      5.266721
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.589820079499
  N      -3.999104     -3.129230      2.621559
  C      -3.748358     -3.675115      1.278959
  C      -3.102434     -5.038428      1.443749
  N      -3.911600     -5.861363      2.383003
  C      -5.041397     -6.536526      1.689718
  C      -6.141510     -6.828296      2.694373
  N      -6.382853     -5.602606      3.453768
  Mo     -4.814721     -4.430983      3.933123
  N      -3.508533     -5.426877      5.042974
  C      -2.435139     -6.125552      4.319536
  C      -3.062836     -6.829164      3.126736
  H      -1.956990     -6.873382      4.971014
  H      -1.648421     -5.422703      3.993020
  H      -3.710921     -7.635967      3.493837
  H      -2.303754     -7.269660      2.458134
  H      -7.056365     -7.136774      2.161553
  H      -5.856719     -7.667717      3.356845
  H      -5.426746     -5.840501      0.931769
  H      -4.689965     -7.448725      1.178317
  H      -3.064631     -3.016656      0.718772
  H      -4.678353     -3.749822      0.686387
  H      -2.106622     -4.906466      1.888137
  H      -2.984925     -5.560073      0.478775
  C      -3.936125     -1.736334      2.742953
  C      -3.483500     -1.168483      3.958939
  C      -3.435475      0.208006      4.147417
  C      -3.825511      1.038613      3.106533
  F      -3.784028      2.382842      3.295575
  C      -4.259342      0.527783      1.876365
  C      -4.730448      1.387276      0.779959
  O      -5.157516      0.973735     -0.292280
  C      -4.687545      2.921853      0.902896
  O      -3.801731      3.590214      0.431268
  C      -5.962509      3.511476      1.560767
  O      -6.808735      2.822147      2.051759
  Cl     -6.010400      5.281074      1.548530
  C      -4.301616     -0.866947      1.707186
  C      -7.540772     -5.510134      4.251705
  C      -8.022188     -6.510481      5.115660
  C      -8.911186     -6.166982      6.138155
  C      -9.240882     -4.830352      6.349650
  F      -9.946248     -4.505041      7.450787
  C      -8.791104     -3.822128      5.479334
  C      -8.791466     -2.382889      5.843846
  O      -9.718668     -1.785754      6.355568
  C      -7.443262     -1.590762      5.656525
  O      -5.289843     -2.939334      6.480217
  C      -6.881899     -1.274874      7.058536
  O      -7.277431     -1.617934      8.123332
  Cl     -5.635832      0.107271      6.927320
  C      -8.077212     -4.228250      4.351327
  C      -3.456646     -5.459185      6.449151
  C      -2.235342     -5.366456      7.148020
  C      -2.198690     -5.365973      8.541751
  C      -3.390225     -5.458888      9.243053
  F      -3.352662     -5.427635     10.598728
  C      -4.626836     -5.570660      8.588849
  C      -5.901944     -5.652699      9.310913
  O      -7.010280     -5.608510      8.787427
  C      -5.965094     -5.910908     10.821944
  O      -5.877721     -7.020963     11.289077
  C      -6.305157     -4.648718     11.650628
  O      -6.185055     -3.540898     11.220565
  Cl     -6.813318     -5.016557     13.313476
  C      -4.638607     -5.572599      7.187112
  H      -3.170203     -1.832917      4.765444
  H      -3.100597      0.637853      5.090589
  H      -4.671342     -1.243448      0.752979
  H      -7.651707     -7.534657      5.050168
  H      -9.270854     -6.913977      6.845681
  H      -7.757616     -3.488729      3.625964
  H      -1.299925     -5.263994      6.596549
  H      -1.257690     -5.276023      9.084324
  H      -5.600578     -5.668551      6.680527
  N      -5.533932     -3.115260      5.254442
  N      -6.461671     -2.090717      4.696334
  H      -5.849688     -1.315496      4.412760
  H      -7.756466     -0.609812      5.265704
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590089862804
  N      -4.011089     -3.123803      2.624333
  C      -3.759427     -3.669133      1.281547
  C      -3.109992     -5.030955      1.445698
  N      -3.915076     -5.855061      2.387005
  C      -5.044598     -6.534880      1.697383
  C      -6.140860     -6.830383      2.705006
  N      -6.384204     -5.605994      3.465587
  Mo     -4.819798     -4.427676      3.937589
  N      -3.504635     -5.413762      5.045859
  C      -2.432075     -6.110561      4.319517
  C      -3.061429     -6.818777      3.130688
  H      -1.948186     -6.855719      4.969961
  H      -1.648581     -5.405791      3.989263
  H      -3.706884     -7.625949      3.501385
  H      -2.302989     -7.259392      2.461348
  H      -7.055736     -7.141935      2.174014
  H      -5.851199     -7.669114      3.366245
  H      -5.433037     -5.840434      0.939738
  H      -4.691366     -7.446701      1.186481
  H      -3.077787     -3.008917      0.721006
  H      -4.689519     -3.745457      0.689406
  H      -2.114368     -4.896034      1.889517
  H      -2.992186     -5.553015      0.481000
  C      -3.943208     -1.731211      2.746840
  C      -3.491212     -1.162462      3.963102
  C      -3.437519      0.214260      4.147819
  C      -3.818947      1.044205      3.102767
  F      -3.773171      2.388698      3.289629
  C      -4.250600      0.532031      1.872527
  C      -4.711784      1.389651      0.770052
  O      -5.139806      0.973945     -0.300562
  C      -4.652974      2.924773      0.886023
  O      -3.757987      3.582263      0.416927
  C      -5.931028      3.529875      1.524481
  O      -6.792195      2.850192      2.002926
  Cl     -5.963840      5.299552      1.499766
  C      -4.300655     -0.863001      1.707733
  C      -7.543632     -5.512000      4.259264
  C      -8.028381     -6.509722      5.124139
  C      -8.922848     -6.164958      6.141566
  C      -9.257319     -4.828697      6.346250
  F      -9.969454     -4.499838      7.441979
  C      -8.805860     -3.822504      5.473774
  C      -8.814532     -2.381854      5.830868
  O      -9.746983     -1.782782      6.330299
  C      -7.464862     -1.589272      5.655554
  O      -5.346782     -2.973139      6.491063
  C      -6.908993     -1.280807      7.060020
  O      -7.317219     -1.611879      8.123618
  Cl     -5.637835      0.081744      6.933095
  C      -8.083274     -4.230481      4.352805
  C      -3.451528     -5.452198      6.451852
  C      -2.229900     -5.349760      7.149081
  C      -2.190379     -5.356319      8.542539
  C      -3.379945     -5.466530      9.245134
  F      -3.339609     -5.441301     10.600981
  C      -4.616297     -5.590271      8.592535
  C      -5.889424     -5.690920      9.316075
  O      -6.998634     -5.661386      8.793787
  C      -5.946415     -5.941851     10.828971
  O      -5.842161     -7.047250     11.303355
  C      -6.283930     -4.675219     11.652403
  O      -6.174645     -3.570108     11.212071
  Cl     -6.773924     -5.032806     13.322558
  C      -4.630421     -5.584998      7.190801
  H      -3.182934     -1.826342      4.772035
  H      -3.104277      0.645330      5.091047
  H      -4.671256     -1.239131      0.753700
  H      -7.655954     -7.533515      5.062550
  H      -9.284095     -6.909908      6.850401
  H      -7.765478     -3.491679      3.625108
  H      -1.297214     -5.232998      6.595705
  H      -1.250052     -5.258444      9.084870
  H      -5.592357     -5.690626      6.686417
  N      -5.555496     -3.123387      5.256928
  N      -6.477516     -2.088081      4.700534
  H      -5.860719     -1.314954      4.423727
  H      -7.772735     -0.605835      5.266984
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590370146110
  N      -4.021545     -3.118606      2.625778
  C      -3.772575     -3.664754      1.282735
  C      -3.119229     -5.024861      1.445989
  N      -3.918639     -5.849878      2.391114
  C      -5.048884     -6.534351      1.707024
  C      -6.140712     -6.831600      2.718963
  N      -6.385523     -5.606830      3.478557
  Mo     -4.823079     -4.423795      3.942427
  N      -3.498355     -5.400861      5.047078
  C      -2.426762     -6.095668      4.317591
  C      -3.059247     -6.809373      3.133696
  H      -1.936747     -6.837383      4.967404
  H      -1.647108     -5.389107      3.982075
  H      -3.701213     -7.617027      3.509393
  H      -2.302381     -7.249955      2.462494
  H      -7.056139     -7.146831      2.191103
  H      -5.846304     -7.668576      3.380316
  H      -5.441337     -5.842241      0.949304
  H      -4.695073     -7.446439      1.196922
  H      -3.094332     -3.003378      0.719479
  H      -4.704147     -3.743457      0.693265
  H      -2.122753     -4.886417      1.886785
  H      -3.002880     -5.547858      0.481654
  C      -3.951310     -1.726312      2.747486
  C      -3.507990     -1.155491      3.966092
  C      -3.453103      0.221739      4.147693
  C      -3.822909      1.050451      3.097151
  F      -3.777699      2.395203      3.282079
  C      -4.244452      0.536162      1.864436
  C      -4.691487      1.391225      0.753880
  O      -5.122008      0.972911     -0.314636
  C      -4.617303      2.926577      0.858976
  O      -3.709221      3.570920      0.396984
  C      -5.892043      3.550075      1.486251
  O      -6.763522      2.883167      1.963601
  Cl     -5.907529      5.319555      1.444551
  C      -4.298524     -0.859254      1.703765
  C      -7.546445     -5.511650      4.269322
  C      -8.032666     -6.506655      5.136376
  C      -8.930865     -6.160322      6.150050
  C      -9.269260     -4.824371      6.348294
  F      -9.984668     -4.491708      7.440949
  C      -8.817646     -3.820827      5.472678
  C      -8.831786     -2.378883      5.822347
  O      -9.769071     -1.777072      6.309265
  C      -7.479524     -1.588262      5.658485
  O      -5.399464     -3.005540      6.504466
  C      -6.928550     -1.289826      7.066475
  O      -7.350158     -1.610575      8.127868
  Cl     -5.630385      0.050286      6.947154
  C      -8.089286     -4.231037      4.356494
  C      -3.443531     -5.444456      6.453042
  C      -2.222022     -5.328250      7.148422
  C      -2.179772     -5.339144      8.541643
  C      -3.366940     -5.467545      9.245691
  F      -3.324138     -5.445660     10.601596
  C      -4.602525     -5.606082      8.595012
  C      -5.873881     -5.725136      9.319349
  O      -6.983119     -5.714352      8.796452
  C      -5.924814     -5.976147     10.832697
  O      -5.819619     -7.081613     11.306501
  C      -6.281087     -4.713580     11.654582
  O      -6.182075     -3.607440     11.214236
  Cl     -6.769426     -5.076045     13.323848
  C      -4.619000     -5.596714      7.193167
  H      -3.208134     -1.817934      4.779488
  H      -3.127383      0.654590      5.092745
  H      -4.663433     -1.235900      0.747796
  H      -7.657754     -7.529865      5.079430
  H      -9.291676     -6.903263      6.861205
  H      -7.773610     -3.493759      3.626095
  H      -1.292516     -5.196875      6.592913
  H      -1.240403     -5.230579      9.083589
  H      -5.580560     -5.714399      6.690958
  N      -5.575122     -3.129884      5.262419
  N      -6.489529     -2.086790      4.707314
  H      -5.868057     -1.316509      4.433262
  H      -7.781257     -0.601259      5.272914
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590670573129
  N      -4.030702     -3.114278      2.626955
  C      -3.784023     -3.662178      1.284062
  C      -3.127742     -5.020905      1.446991
  N      -3.921946     -5.846497      2.395984
  C      -5.052611     -6.535429      1.717114
  C      -6.140791     -6.833512      2.733027
  N      -6.386700     -5.607530      3.490773
  Mo     -4.825828     -4.420130      3.946751
  N      -3.492683     -5.388482      5.048678
  C      -2.421733     -6.081928      4.316688
  C      -3.057298     -6.801692      3.138012
  H      -1.926247     -6.819673      4.966831
  H      -1.645831     -5.374034      3.975437
  H      -3.695702     -7.609604      3.519290
  H      -2.302135     -7.242595      2.465049
  H      -7.056863     -7.152065      2.208313
  H      -5.842636     -7.668576      3.395091
  H      -5.449156     -5.845745      0.959187
  H      -4.698225     -7.447727      1.207720
  H      -3.108101     -3.000732      0.718099
  H      -4.716855     -3.742801      0.696877
  H      -2.130063     -4.879365      1.884082
  H      -3.013330     -5.545029      0.483076
  C      -3.957419     -1.722232      2.747814
  C      -3.522368     -1.149937      3.968410
  C      -3.466017      0.227773      4.147554
  C      -3.825818      1.055434      3.092909
  F      -3.778232      2.400495      3.274819
  C      -4.239172      0.539704      1.858075
  C      -4.673304      1.393826      0.741845
  O      -5.104345      0.975131     -0.326518
  C      -4.586801      2.928635      0.839499
  O      -3.666352      3.561450      0.385828
  C      -5.860490      3.567759      1.452158
  O      -6.740936      2.912419      1.928833
  Cl     -5.858116      5.336996      1.400798
  C      -4.296314     -0.855844      1.700152
  C      -7.550384     -5.510382      4.277753
  C      -8.038784     -6.502096      5.147284
  C      -8.941968     -6.152881      6.155561
  C      -9.284030     -4.816847      6.345920
  F     -10.003595     -4.480031      7.434986
  C      -8.830861     -3.816789      5.467422
  C      -8.847969     -2.372942      5.809309
  O      -9.789703     -1.767558      6.283331
  C      -7.492121     -1.586043      5.656905
  O      -5.455129     -3.039021      6.515519
  C      -6.948537     -1.298275      7.070068
  O      -7.386085     -1.609685      8.127699
  Cl     -5.621820      0.016123      6.962830
  C      -8.095800     -4.230407      4.356795
  C      -3.435954     -5.436169      6.454701
  C      -2.214998     -5.305869      7.148523
  C      -2.170564     -5.320321      8.541621
  C      -3.355113     -5.466622      9.246961
  F      -3.310648     -5.448395     10.602862
  C      -4.589404     -5.620012      8.597944
  C      -5.858747     -5.759712      9.322257
  O      -6.967413     -5.771908      8.798051
  C      -5.904800     -6.009647     10.835990
  O      -5.786839     -7.113235     11.311109
  C      -6.275559     -4.750297     11.656442
  O      -6.191629     -3.643919     11.213529
  Cl     -6.745282     -5.114969     13.330334
  C      -4.608036     -5.606865      7.195882
  H      -3.230397     -1.811373      4.785624
  H      -3.146052      0.661979      5.093947
  H      -4.655678     -1.233150      0.742445
  H      -7.661346     -7.524746      5.097038
  H      -9.302900     -6.893373      6.869206
  H      -7.780813     -3.495696      3.623913
  H      -1.288479     -5.160757      6.591415
  H      -1.232181     -5.200976      9.083018
  H      -5.568790     -5.736835      6.695425
  N      -5.595607     -3.135834      5.266539
  N      -6.499303     -2.085049      4.710716
  H      -5.872565     -1.318147      4.439470
  H      -7.786446     -0.595720      5.273440
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590709692476
  N      -4.009998     -3.124094      2.624503
  C      -3.758175     -3.674671      1.283463
  C      -3.113955     -5.038574      1.450857
  N      -3.917689     -5.856932      2.398017
  C      -5.051393     -6.537190      1.716229
  C      -6.145754     -6.827628      2.728244
  N      -6.384839     -5.599230      3.484926
  Mo     -4.817903     -4.420737      3.942342
  N      -3.490008     -5.392389      5.048695
  C      -2.423360     -6.097959      4.321811
  C      -3.063539     -6.817204      3.145242
  H      -1.936168     -6.836979      4.976758
  H      -1.639940     -5.399225      3.978732
  H      -3.709899     -7.617283      3.529872
  H      -2.311816     -7.267837      2.474828
  H      -7.062495     -7.138115      2.199762
  H      -5.858364     -7.665897      3.390980
  H      -5.441675     -5.843651      0.958267
  H      -4.702912     -7.451315      1.205904
  H      -3.071963     -3.019467      0.722516
  H      -4.687110     -3.746860      0.688876
  H      -2.116290     -4.903698      1.890213
  H      -2.999847     -5.565094      0.488243
  C      -3.933116     -1.731766      2.745482
  C      -3.489450     -1.159520      3.961135
  C      -3.439611      0.218933      4.141084
  C      -3.818536      1.044853      3.092941
  F      -3.774493      2.390287      3.272480
  C      -4.243704      0.528270      1.861955
  C      -4.701452      1.383254      0.757001
  O      -5.135212      0.966537     -0.311822
  C      -4.646075      2.917513      0.864972
  O      -3.743429      3.570526      0.403036
  C      -5.917745      3.527790      1.507957
  O      -6.771686      2.854106      2.006946
  Cl     -5.941195      5.297414      1.484468
  C      -4.290898     -0.866983      1.701549
  C      -7.549761     -5.495128      4.271310
  C      -8.051692     -6.484211      5.135887
  C      -8.960058     -6.128237      6.137611
  C      -9.295093     -4.790210      6.326703
  F     -10.023115     -4.451093      7.409937
  C      -8.826982     -3.792324      5.454252
  C      -8.835929     -2.346681      5.791472
  O      -9.776842     -1.735809      6.261505
  C      -7.476976     -1.565303      5.641661
  O      -5.465371     -3.050848      6.503639
  C      -6.938856     -1.280008      7.058765
  O      -7.386278     -1.587664      8.113299
  Cl     -5.595516      0.015523      6.960432
  C      -8.084390     -4.210615      4.350386
  C      -3.433260     -5.432674      6.455208
  C      -2.212829     -5.292963      7.148051
  C      -2.168426     -5.300447      8.541245
  C      -3.352111     -5.450837      9.247559
  F      -3.308480     -5.428088     10.603402
  C      -4.584840     -5.614387      8.599811
  C      -5.854084     -5.768387      9.321706
  O      -6.961181     -5.792933      8.794505
  C      -5.898911     -6.010122     10.836539
  O      -5.772800     -7.110679     11.316684
  C      -6.285093     -4.751260     11.650127
  O      -6.216775     -3.646508     11.200671
  Cl     -6.741900     -5.112064     13.328502
  C      -4.604265     -5.605982      7.197302
  H      -3.188710     -1.820050      4.776040
  H      -3.111105      0.654882      5.083763
  H      -4.659061     -1.247488      0.748609
  H      -7.682820     -7.510027      5.088207
  H      -9.330548     -6.868254      6.846885
  H      -7.761196     -3.476543      3.621822
  H      -1.287277     -5.147230      6.589537
  H      -1.230767     -5.173789      9.082289
  H      -5.564369     -5.744861      6.698290
  N      -5.591761     -3.132183      5.253945
  N      -6.482223     -2.067373      4.698828
  H      -5.848462     -1.304716      4.436208
  H      -7.763411     -0.574964      5.254989
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590741075776
  N      -4.002422     -3.127214      2.623590
  C      -3.753172     -3.678693      1.282920
  C      -3.111695     -5.043918      1.451416
  N      -3.917285     -5.860406      2.399035
  C      -5.051383     -6.538856      1.716450
  C      -6.148356     -6.825116      2.726961
  N      -6.386724     -5.594664      3.480751
  Mo     -4.816416     -4.421054      3.941026
  N      -3.490894     -5.394266      5.047660
  C      -2.424162     -6.102123      4.323193
  C      -3.065274     -6.821837      3.146935
  H      -1.938904     -6.840347      4.980333
  H      -1.639977     -5.404857      3.978978
  H      -3.713097     -7.620346      3.532399
  H      -2.314532     -7.274341      2.476716
  H      -7.064704     -7.134637      2.197204
  H      -5.864310     -7.662793      3.391855
  H      -5.439664     -5.845848      0.956935
  H      -4.704241     -7.454280      1.207596
  H      -3.065784     -3.025315      0.721145
  H      -4.682690     -3.749890      0.689086
  H      -2.113296     -4.911115      1.889689
  H      -2.999327     -5.571097      0.488939
  C      -3.930116     -1.734890      2.743930
  C      -3.490979     -1.163737      3.961823
  C      -3.444447      0.214395      4.145082
  C      -3.821825      1.041825      3.097740
  F      -3.782691      2.386759      3.281080
  C      -4.242696      0.526832      1.864377
  C      -4.700924      1.383207      0.760831
  O      -5.138644      0.967703     -0.307137
  C      -4.647296      2.917103      0.868637
  O      -3.748935      3.571045      0.399524
  C      -5.918656      3.526685      1.512751
  O      -6.766652      2.853766      2.022593
  Cl     -5.958717      5.295557      1.459398
  C      -4.286559     -0.868260      1.700887
  C      -7.552666     -5.489805      4.266495
  C      -8.056515     -6.479229      5.129594
  C      -8.964173     -6.122414      6.131701
  C      -9.296307     -4.783928      6.322839
  F     -10.022786     -4.445137      7.407356
  C      -8.826414     -3.786166      5.451755
  C      -8.831596     -2.341097      5.790260
  O      -9.772209     -1.729203      6.259371
  C      -7.470383     -1.563134      5.643363
  O      -5.464158     -3.051384      6.505480
  C      -6.935027     -1.283817      7.063042
  O      -7.386035     -1.595805      8.114823
  Cl     -5.589635      0.008911      6.972943
  C      -8.084737     -4.204763      4.346710
  C      -3.435032     -5.431042      6.454613
  C      -2.216346     -5.279692      7.148010
  C      -2.173696     -5.281641      8.541267
  C      -3.357057     -5.437783      9.246820
  F      -3.315730     -5.409387     10.602623
  C      -4.587869     -5.612370      8.598459
  C      -5.856869     -5.770552      9.319805
  O      -6.962742     -5.809724      8.791026
  C      -5.900045     -6.016440     10.834060
  O      -5.755829     -7.115885     11.311834
  C      -6.282573     -4.760285     11.653540
  O      -6.223991     -3.654588     11.205169
  Cl     -6.709946     -5.124876     13.338872
  C      -4.605603     -5.609891      7.195814
  H      -3.190856     -1.825236      4.776103
  H      -3.119576      0.648735      5.089738
  H      -4.649254     -1.247651      0.745357
  H      -7.689674     -7.505718      5.081650
  H      -9.335836     -6.862873      6.839917
  H      -7.758962     -3.470398      3.619107
  H      -1.291338     -5.129992      6.589644
  H      -1.237531     -5.145904      9.082744
  H      -5.564057     -5.756663      6.695847
  N      -5.591272     -3.129841      5.254252
  N      -6.477518     -2.065722      4.699536
  H      -5.841896     -1.304699      4.434482
  H      -7.754036     -0.571237      5.257696
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590748226681
  N      -4.002675     -3.127022      2.624210
  C      -3.754776     -3.677559      1.282942
  C      -3.112765     -5.042705      1.450009
  N      -3.917517     -5.859987      2.397800
  C      -5.051756     -6.538758      1.715665
  C      -6.147825     -6.825725      2.726960
  N      -6.386409     -5.595495      3.480995
  Mo     -4.815906     -4.421831      3.941178
  N      -3.490228     -5.395726      5.046810
  C      -2.423435     -6.102490      4.321264
  C      -3.064458     -6.821466      3.144558
  H      -1.937529     -6.841039      4.977554
  H      -1.639886     -5.404398      3.977320
  H      -3.711515     -7.620896      3.529388
  H      -2.313586     -7.272797      2.473694
  H      -7.064357     -7.135939      2.197941
  H      -5.862460     -7.663092      3.391672
  H      -5.440830     -5.845824      0.956508
  H      -4.704392     -7.453916      1.206506
  H      -3.068449     -3.023523      0.720620
  H      -4.685038     -3.749001      0.690390
  H      -2.114080     -4.910121      1.887653
  H      -3.001217     -5.569206      0.487056
  C      -3.930960     -1.734711      2.745172
  C      -3.490822     -1.163744      3.963076
  C      -3.444234      0.214331      4.146760
  C      -3.822378      1.041991      3.099737
  F      -3.782515      2.386894      3.283374
  C      -4.243885      0.527255      1.866491
  C      -4.701554      1.383624      0.762530
  O      -5.137619      0.967716     -0.305822
  C      -4.647718      2.917775      0.870278
  O      -3.747514      3.571549      0.404629
  C      -5.919779      3.527739      1.512766
  O      -6.771709      2.854497      2.015590
  Cl     -5.955244      5.296933      1.467011
  C      -4.288069     -0.867770      1.702880
  C      -7.552316     -5.491167      4.266604
  C      -8.055645     -6.481251      5.129255
  C      -8.962622     -6.125241      6.132249
  C      -9.294622     -4.786898      6.324455
  F     -10.019251     -4.448699      7.410394
  C      -8.825691     -3.788486      5.453398
  C      -8.830800     -2.343672      5.793265
  O      -9.770866     -1.732331      6.264040
  C      -7.469706     -1.565531      5.645428
  O      -5.462989     -3.052609      6.506510
  C      -6.933334     -1.286862      7.064607
  O      -7.382428     -1.600519      8.116795
  Cl     -5.584780      0.002178      6.973809
  C      -8.084646     -4.206328      4.347716
  C      -3.433929     -5.433406      6.453705
  C      -2.215243     -5.282937      7.147165
  C      -2.172652     -5.285525      8.540496
  C      -3.356187     -5.440527      9.245939
  F      -3.314795     -5.411870     10.601712
  C      -4.587251     -5.614192      8.597372
  C      -5.856558     -5.769923      9.318701
  O      -6.962786     -5.806170      8.790311
  C      -5.901365     -6.007313     10.834258
  O      -5.761972     -7.104753     11.317968
  C      -6.288788     -4.747333     11.645524
  O      -6.228882     -3.643869     11.191836
  Cl     -6.722595     -5.103557     13.331031
  C      -4.604636     -5.611845      7.194834
  H      -3.189046     -1.825658      4.776383
  H      -3.118358      0.648329      5.091212
  H      -4.650881     -1.247089      0.747330
  H      -7.688491     -7.507605      5.080528
  H      -9.333444     -6.865940      6.840639
  H      -7.758879     -3.471606      3.620445
  H      -1.290061     -5.133157      6.589088
  H      -1.236321     -5.150529      9.081854
  H      -5.563176     -5.757224      6.694519
  N      -5.590549     -3.131132      5.255069
  N      -6.477337     -2.067435      4.700864
  H      -5.842048     -1.305776      4.435395
  H      -7.754202     -0.573453      5.260175
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590751423665
  N      -3.999889     -3.127948      2.624794
  C      -3.753063     -3.677681      1.282987
  C      -3.111690     -5.043209      1.448988
  N      -3.916724     -5.860373      2.396712
  C      -5.051649     -6.538397      1.714825
  C      -6.147315     -6.825192      2.726626
  N      -6.385617     -5.594935      3.480704
  Mo     -4.813993     -4.422602      3.941158
  N      -3.489019     -5.398114      5.046136
  C      -2.422678     -6.104997      4.320058
  C      -3.063850     -6.822678      3.142746
  H      -1.937161     -6.844362      4.975735
  H      -1.638768     -5.407030      3.976655
  H      -3.711112     -7.622337      3.526775
  H      -2.313029     -7.273650      2.471586
  H      -7.064021     -7.135547      2.197987
  H      -5.861456     -7.662394      3.391328
  H      -5.440661     -5.845098      0.955977
  H      -4.704863     -7.453630      1.205401
  H      -3.067149     -3.023374      0.720479
  H      -4.683822     -3.748691      0.691205
  H      -2.112873     -4.911564      1.886590
  H      -3.000855     -5.569311      0.485737
  C      -3.928950     -1.735577      2.746120
  C      -3.486614     -1.164222      3.963242
  C      -3.441103      0.213931      4.146919
  C      -3.822659      1.041209      3.100662
  F      -3.783581      2.386161      3.284236
  C      -4.245883      0.526082      1.868229
  C      -4.705406      1.381739      0.764324
  O      -5.141427      0.964775     -0.303497
  C      -4.654996      2.916247      0.872602
  O      -3.756423      3.572415      0.407332
  C      -5.926922      3.523014      1.518450
  O      -6.779195      2.847068      2.017050
  Cl     -5.961141      5.292460      1.483727
  C      -4.289134     -0.868932      1.704903
  C      -7.551560     -5.490412      4.265937
  C      -8.056448     -6.481057      5.126999
  C      -8.963208     -6.125365      6.130388
  C      -9.293690     -4.786968      6.324296
  F     -10.017626     -4.449188      7.410819
  C      -8.823653     -3.787863      5.454309
  C      -8.827890     -2.343258      5.795609
  O      -9.767015     -1.732001      6.268320
  C      -7.466687     -1.565291      5.646789
  O      -5.462810     -3.055542      6.506478
  C      -6.929290     -1.286444      7.065320
  O      -7.379962     -1.596744      8.117896
  Cl     -5.584495      0.006012      6.972878
  C      -8.082700     -4.205178      4.348627
  C      -3.432697     -5.436074      6.453010
  C      -2.214120     -5.286504      7.146669
  C      -2.171896     -5.288666      8.540088
  C      -3.355872     -5.441635      9.245233
  F      -3.314614     -5.411446     10.600961
  C      -4.587099     -5.614379      8.596327
  C      -5.857216     -5.765920      9.317158
  O      -6.962920     -5.804475      8.787781
  C      -5.903926     -5.999519     10.833247
  O      -5.770366     -7.096495     11.319624
  C      -6.293764     -4.737486     11.640190
  O      -6.230973     -3.634994     11.184510
  Cl     -6.734883     -5.089836     13.324644
  C      -4.603750     -5.613251      7.193896
  H      -3.181665     -1.826092      4.775411
  H      -3.113340      0.648210      5.090572
  H      -4.653157     -1.248936      0.750065
  H      -7.690442     -7.507775      5.077004
  H      -9.334808     -6.866410      6.838002
  H      -7.755668     -3.469921      3.622678
  H      -1.288631     -5.137432      6.588880
  H      -1.235546     -5.154415      9.081570
  H      -5.562340     -5.757233      6.693188
  N      -5.588964     -3.132046      5.254627
  N      -6.474597     -2.066726      4.701607
  H      -5.838697     -1.304855      4.437237
  H      -7.751544     -0.572995      5.261719
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590755950015
  N      -3.995534     -3.129531      2.625039
  C      -3.748794     -3.679030      1.283097
  C      -3.109009     -5.045280      1.449056
  N      -3.915367     -5.861559      2.396455
  C      -5.050829     -6.538360      1.714214
  C      -6.147105     -6.824171      2.725666
  N      -6.384996     -5.593565      3.479365
  Mo     -4.812061     -4.423068      3.940620
  N      -3.488414     -5.399960      5.045932
  C      -2.422466     -6.107945      4.320429
  C      -3.063790     -6.824838      3.142764
  H      -1.938105     -6.847858      4.976348
  H      -1.637588     -5.410839      3.977422
  H      -3.712018     -7.623929      3.526376
  H      -2.313104     -7.276462      2.471897
  H      -7.063747     -7.134083      2.196648
  H      -5.862045     -7.661412      3.390661
  H      -5.438905     -5.844578      0.955309
  H      -4.704849     -7.453924      1.204823
  H      -3.062178     -3.025121      0.721001
  H      -4.679455     -3.749083      0.690996
  H      -2.110219     -4.914878      1.887101
  H      -2.998477     -5.571436      0.485819
  C      -3.925575     -1.737057      2.746492
  C      -3.481749     -1.165342      3.962825
  C      -3.438490      0.212890      4.146778
  C      -3.823883      1.039738      3.101536
  F      -3.787700      2.384698      3.285572
  C      -4.248398      0.524250      1.869745
  C      -4.711658      1.379311      0.766875
  O      -5.148797      0.961663     -0.300202
  C      -4.665014      2.913946      0.875915
  O      -3.771079      3.572969      0.405777
  C      -5.934526      3.516763      1.530139
  O      -6.782573      2.838090      2.032179
  Cl     -5.971826      5.286192      1.500408
  C      -4.289437     -0.870784      1.706249
  C      -7.551327     -5.488282      4.263890
  C      -8.059079     -6.479077      5.123064
  C      -8.966542     -6.123000      6.125790
  C      -9.295148     -4.784378      6.320928
  F     -10.020422     -4.446763      7.406624
  C      -8.822328     -3.784975      5.452673
  C      -8.825183     -2.340531      5.794793
  O      -9.763664     -1.728845      6.268285
  C      -7.463522     -1.563170      5.645978
  O      -5.464904     -3.058852      6.505236
  C      -6.925890     -1.285099      7.064557
  O      -7.376336     -1.595243      8.117299
  Cl     -5.573929     -0.000335      6.972176
  C      -8.080512     -4.202306      4.347748
  C      -3.432512     -5.437257      6.452864
  C      -2.214248     -5.286930      7.146810
  C      -2.172646     -5.287678      8.540279
  C      -3.356930     -5.440071      9.245064
  F      -3.316184     -5.408311     10.600760
  C      -4.587850     -5.613832      8.595850
  C      -5.858472     -5.763968      9.316037
  O      -6.963602     -5.805162      8.785672
  C      -5.906433     -5.994756     10.832530
  O      -5.774029     -7.090867     11.321171
  C      -6.293234     -4.730240     11.637076
  O      -6.228356     -3.628800     11.179176
  Cl     -6.734280     -5.078278     13.322464
  C      -4.603800     -5.614173      7.193418
  H      -3.174299     -1.827045      4.774216
  H      -3.109831      0.647566      5.089936
  H      -4.654659     -1.251497      0.752163
  H      -7.694967     -7.506428      5.072283
  H      -9.340335     -6.864333      6.831957
  H      -7.751465     -3.466617      3.623298
  H      -1.288561     -5.138287      6.589231
  H      -1.236549     -5.152846      9.082051
  H      -5.562124     -5.758754      6.692409
  N      -5.588111     -3.132137      5.252900
  N      -6.471276     -2.064421      4.700815
  H      -5.834152     -1.303066      4.438374
  H      -7.747765     -0.570721      5.260877
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590757436910
  N      -3.993035     -3.130260      2.625481
  C      -3.747293     -3.679585      1.283266
  C      -3.108259     -5.046243      1.448610
  N      -3.914813     -5.862315      2.396186
  C      -5.050388     -6.538904      1.713967
  C      -6.146715     -6.824256      2.725491
  N      -6.384651     -5.593285      3.478680
  Mo     -4.810905     -4.423616      3.940369
  N      -3.487938     -5.401280      5.045450
  C      -2.421827     -6.109058      4.319939
  C      -3.063281     -6.825858      3.142280
  H      -1.937481     -6.848879      4.975936
  H      -1.637115     -5.411822      3.976833
  H      -3.711416     -7.625090      3.525805
  H      -2.312651     -7.277321      2.471252
  H      -7.063368     -7.134468      2.196689
  H      -5.861523     -7.661210      3.390800
  H      -5.438349     -5.845126      0.954943
  H      -4.704595     -7.454603      1.204701
  H      -3.060645     -3.025893      0.720963
  H      -4.678307     -3.749193      0.691621
  H      -2.109110     -4.916649      1.886086
  H      -2.998722     -5.572237      0.485207
  C      -3.924446     -1.737681      2.746928
  C      -3.480254     -1.165768      3.962918
  C      -3.438190      0.212460      4.147079
  C      -3.825437      1.039151      3.102432
  F      -3.790495      2.384135      3.286702
  C      -4.250620      0.523664      1.870983
  C      -4.714960      1.378619      0.768382
  O      -5.153878      0.960792     -0.297909
  C      -4.668151      2.913230      0.877667
  O      -3.776418      3.572430      0.403592
  C      -5.935045      3.515728      1.537282
  O      -6.781720      2.836847      2.041274
  Cl     -5.972108      5.285126      1.509146
  C      -4.290368     -0.871420      1.707240
  C      -7.551598     -5.487774      4.262392
  C      -8.060625     -6.478987      5.120403
  C      -8.968436     -6.123083      6.122862
  C      -9.296130     -4.784360      6.319033
  F     -10.021706     -4.447274      7.404747
  C      -8.822087     -3.784632      5.451948
  C      -8.823799     -2.340622      5.795401
  O      -9.761837     -1.728935      6.269812
  C      -7.461623     -1.563874      5.647138
  O      -5.465428     -3.061118      6.505696
  C      -6.924377     -1.287859      7.066518
  O      -7.375740     -1.599396      8.118481
  Cl     -5.571635     -0.003969      6.977068
  C      -8.079969     -4.201566      4.346910
  C      -3.432012     -5.438467      6.452402
  C      -2.214060     -5.287075      7.146541
  C      -2.173122     -5.286935      8.540098
  C      -3.357564     -5.439402      9.244633
  F      -3.317359     -5.407315     10.600278
  C      -4.588119     -5.614089      8.595148
  C      -5.859032     -5.763881      9.314597
  O      -6.963842     -5.806209      8.783491
  C      -5.908928     -5.989622     10.831710
  O      -5.777107     -7.083946     11.324506
  C      -6.293632     -4.721496     11.631533
  O      -6.226116     -3.621847     11.169775
  Cl     -6.732825     -5.062320     13.318912
  C      -4.603439     -5.615571      7.192704
  H      -3.171703     -1.827575      4.773816
  H      -3.109098      0.647255      5.090014
  H      -4.655758     -1.252326      0.753319
  H      -7.697273     -7.506571      5.069065
  H      -9.343231     -6.864735      6.828183
  H      -7.749935     -3.465503      3.623158
  H      -1.288175     -5.138499      6.589300
  H      -1.237173     -5.151532      9.081994
  H      -5.561346     -5.761190      6.691260
  N      -5.587440     -3.132695      5.252921
  N      -6.469658     -2.064351      4.701535
  H      -5.832194     -1.303094      4.439732
  H      -7.745610     -0.571068      5.262744
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590758290967
  N      -3.990360     -3.130709      2.625995
  C      -3.745404     -3.679856      1.283522
  C      -3.107109     -5.046897      1.448335
  N      -3.913978     -5.862632      2.395970
  C      -5.049985     -6.538678      1.713869
  C      -6.146220     -6.823613      2.725574
  N      -6.383941     -5.592469      3.478586
  Mo     -4.809365     -4.423779      3.940466
  N      -3.487101     -5.402581      5.045293
  C      -2.421110     -6.110335      4.319654
  C      -3.062749     -6.826676      3.141830
  H      -1.936928     -6.850461      4.975436
  H      -1.636227     -5.413178      3.976774
  H      -3.711068     -7.625886      3.525070
  H      -2.312183     -7.278108      2.470709
  H      -7.062973     -7.133881      2.196985
  H      -5.860934     -7.660468      3.390971
  H      -5.437642     -5.844670      0.954901
  H      -4.704711     -7.454568      1.204593
  H      -3.058734     -3.026257      0.721141
  H      -4.676651     -3.748906      0.692158
  H      -2.107791     -4.918017      1.885642
  H      -2.998199     -5.572804      0.484832
  C      -3.922578     -1.738063      2.747318
  C      -3.477772     -1.165744      3.962832
  C      -3.436733      0.212514      4.146810
  C      -3.825862      1.038789      3.102525
  F      -3.791515      2.383864      3.286576
  C      -4.251969      0.522944      1.871608
  C      -4.718054      1.377364      0.769209
  O      -5.156570      0.958924     -0.296949
  C      -4.674235      2.912072      0.879777
  O      -3.784557      3.573539      0.405055
  C      -5.941607      3.511282      1.541639
  O      -6.787523      2.829980      2.043644
  Cl     -5.980498      5.280663      1.518879
  C      -4.290368     -0.872203      1.707925
  C      -7.551205     -5.486432      4.261652
  C      -8.061857     -6.477785      5.118566
  C      -8.969954     -6.121789      6.120741
  C      -9.296490     -4.782907      6.317748
  F     -10.022353     -4.445872      7.403262
  C      -8.820828     -3.783013      5.451709
  C      -8.821547     -2.339298      5.795998
  O      -9.759067     -1.727245      6.270994
  C      -7.458925     -1.563181      5.648021
  O      -5.465153     -3.062507      6.506069
  C      -6.921335     -1.288189      7.067523
  O      -7.373111     -1.599330      8.119421
  Cl     -5.567045     -0.005716      6.978614
  C      -8.078497     -4.199841      4.346792
  C      -3.431541     -5.440209      6.452234
  C      -2.213768     -5.289652      7.146861
  C      -2.173520     -5.289444      8.540455
  C      -3.358412     -5.440946      9.244476
  F      -3.318768     -5.408912     10.600129
  C      -4.588777     -5.614754      8.594477
  C      -5.860288     -5.762763      9.313113
  O      -6.964599     -5.806020      8.780982
  C      -5.911956     -5.985804     10.830537
  O      -5.782855     -7.079373     11.325706
  C      -6.294300     -4.715116     11.627456
  O      -6.223212     -3.616574     11.163590
  Cl     -6.735597     -5.051338     13.315219
  C      -4.603386     -5.616630      7.192024
  H      -3.168147     -1.827355      4.773491
  H      -3.107045      0.647727      5.089350
  H      -4.656499     -1.253466      0.754430
  H      -7.699554     -7.505710      5.066559
  H      -9.346016     -6.863579      6.825250
  H      -7.747440     -3.463515      3.623773
  H      -1.287497     -5.141831      6.590071
  H      -1.237721     -5.154806      9.082802
  H      -5.561080     -5.761973      6.690112
  N      -5.585879     -3.132834      5.253021
  N      -6.467124     -2.063424      4.702162
  H      -5.829052     -1.302354      4.441355
  H      -7.742616     -0.570087      5.264146
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590759772364
  N      -3.986858     -3.130998      2.626743
  C      -3.743067     -3.680023      1.283951
  C      -3.105516     -5.047434      1.448037
  N      -3.912507     -5.862844      2.395850
  C      -5.049161     -6.538238      1.714104
  C      -6.145093     -6.822741      2.726216
  N      -6.382558     -5.591370      3.479006
  Mo     -4.807009     -4.423779      3.940893
  N      -3.485523     -5.404196      5.045257
  C      -2.419617     -6.111658      4.319310
  C      -3.061475     -6.827443      3.141271
  H      -1.935447     -6.852173      4.974677
  H      -1.634626     -5.414479      3.976745
  H      -3.709857     -7.626728      3.524206
  H      -2.310990     -7.278672      2.469917
  H      -7.062040     -7.133175      2.198063
  H      -5.859557     -7.659441      3.391704
  H      -5.436606     -5.843915      0.955315
  H      -4.704641     -7.454343      1.204691
  H      -3.056499     -3.026504      0.721337
  H      -4.674673     -3.748386      0.693059
  H      -2.105954     -4.919239      1.884994
  H      -2.997378     -5.573247      0.484415
  C      -3.920209     -1.738229      2.747616
  C      -3.474900     -1.165030      3.962407
  C      -3.435488      0.213358      4.145792
  C      -3.827005      1.038740      3.101732
  F      -3.794026      2.383987      3.285269
  C      -4.254025      0.522030      1.871521
  C      -4.722955      1.375329      0.769289
  O      -5.160904      0.955645     -0.296534
  C      -4.683515      2.910189      0.881089
  O      -3.797853      3.574850      0.403389
  C      -5.949789      3.504720      1.549358
  O      -6.792820      2.820067      2.051675
  Cl     -5.991982      5.274030      1.533095
  C      -4.290492     -0.873235      1.708299
  C      -7.550344     -5.484553      4.261085
  C      -8.063378     -6.475974      5.116533
  C      -8.972113     -6.119704      6.118010
  C      -9.297081     -4.780556      6.315906
  F     -10.023529     -4.443442      7.400960
  C      -8.818995     -3.780572      5.451275
  C      -8.818277     -2.337138      5.796405
  O      -9.755124     -1.724332      6.271869
  C      -7.454971     -1.562069      5.649015
  O      -5.465089     -3.064485      6.506998
  C      -6.917029     -1.288389      7.068699
  O      -7.369799     -1.598156      8.120542
  Cl     -5.560610     -0.007612      6.980228
  C      -8.076183     -4.197426      4.346728
  C      -3.430731     -5.443003      6.452167
  C      -2.213143     -5.294798      7.147700
  C      -2.173925     -5.295149      8.541309
  C      -3.359600     -5.444772      9.244453
  F      -3.320874     -5.413294     10.600153
  C      -4.589749     -5.616246      8.593587
  C      -5.862226     -5.761629      9.310977
  O      -6.965878     -5.804752      8.777396
  C      -5.916385     -5.980848     10.828849
  O      -5.792313     -7.073476     11.327313
  C      -6.295006     -4.706413     11.621636
  O      -6.218663     -3.609532     11.154659
  Cl     -6.740695     -5.035939     13.309553
  C      -4.603360     -5.617923      7.191075
  H      -3.164009     -1.826036      4.773088
  H      -3.105346      0.649478      5.087762
  H      -4.657541     -1.255206      0.755445
  H      -7.702415     -7.504341      5.063864
  H      -9.349991     -6.861604      6.821431
  H      -7.743746     -3.460848      3.624721
  H      -1.286197     -5.148445      6.591658
  H      -1.238330     -5.162411      9.084481
  H      -5.560870     -5.762026      6.688471
  N      -5.583531     -3.133068      5.253619
  N      -6.463260     -2.062161      4.702994
  H      -5.824202     -1.301382      4.443775
  H      -7.738095     -0.568538      5.265898
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590762330485
  N      -3.979087     -3.132483      2.627303
  C      -3.737403     -3.681755      1.284194
  C      -3.102078     -5.050215      1.447579
  N      -3.909701     -5.864371      2.395956
  C      -5.047697     -6.538241      1.714927
  C      -6.143524     -6.821054      2.727600
  N      -6.379802     -5.588902      3.479590
  Mo     -4.802129     -4.423779      3.941110
  N      -3.482203     -5.406840      5.045109
  C      -2.416819     -6.114833      4.319056
  C      -3.059556     -6.829995      3.141083
  H      -1.933074     -6.855810      4.974228
  H      -1.631306     -5.418261      3.976487
  H      -3.708560     -7.628701      3.524152
  H      -2.309640     -7.281805      2.469480
  H      -7.060917     -7.131190      2.200039
  H      -5.858444     -7.657558      3.393530
  H      -5.434455     -5.843400      0.956234
  H      -4.704909     -7.454985      1.205469
  H      -3.050222     -3.029139      0.721227
  H      -4.669515     -3.748306      0.693867
  H      -2.101946     -4.923664      1.883721
  H      -2.995590     -5.576204      0.483892
  C      -3.913890     -1.739479      2.747322
  C      -3.466210     -1.165069      3.960419
  C      -3.429108      0.213548      4.143007
  C      -3.826268      1.037522      3.100124
  F      -3.795133      2.383029      3.282815
  C      -4.256575      0.519546      1.871567
  C      -4.733282      1.371252      0.771234
  O      -5.170691      0.949826     -0.294038
  C      -4.705929      2.906213      0.887259
  O      -3.830574      3.579753      0.403087
  C      -5.969996      3.487846      1.570946
  O      -6.804068      2.794244      2.075993
  Cl     -6.023956      5.256819      1.567231
  C      -4.289567     -0.875824      1.708676
  C      -7.548711     -5.479720      4.259605
  C      -8.067141     -6.470730      5.112307
  C      -8.977430     -6.113060      6.111865
  C      -9.299001     -4.773231      6.310794
  F     -10.027126     -4.435437      7.394511
  C      -8.815580     -3.773628      5.448732
  C      -8.811678     -2.330480      5.794475
  O      -9.747498     -1.715611      6.269514
  C      -7.446587     -1.558176      5.649195
  O      -5.466134     -3.069012      6.507810
  C      -6.909079     -1.288063      7.069777
  O      -7.364481     -1.596051      8.120940
  Cl     -5.546273     -0.013143      6.983836
  C      -8.071019     -4.191265      4.345608
  C      -3.428987     -5.447387      6.451993
  C      -2.211983     -5.302081      7.149295
  C      -2.174853     -5.302899      8.542927
  C      -3.361955     -5.449750      9.244355
  F      -3.325227     -5.418362     10.600132
  C      -4.591412     -5.618584      8.591774
  C      -5.865761     -5.760550      9.306533
  O      -6.967887     -5.805904      8.769897
  C      -5.924330     -5.971768     10.825359
  O      -5.807539     -7.062090     11.330501
  C      -6.297983     -4.690603     11.609767
  O      -6.214938     -3.597105     11.135983
  Cl     -6.747528     -5.007097     13.299079
  C      -4.602942     -5.620466      7.189155
  H      -3.152071     -1.825171      4.770607
  H      -3.096768      0.651058      5.083559
  H      -4.659275     -1.258859      0.757301
  H      -7.709175     -7.500119      5.059106
  H      -9.359210     -6.854840      6.813308
  H      -7.735533     -3.454470      3.625327
  H      -1.283934     -5.157604      6.594610
  H      -1.239873     -5.172370      9.087700
  H      -5.559985     -5.763037      6.685272
  N      -5.578893     -3.133014      5.253721
  N      -6.454877     -2.058366      4.703301
  H      -5.813179     -1.298578      4.447549
  H      -7.727558     -0.563457      5.267492
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590764861666
  N      -3.972222     -3.134093      2.627092
  C      -3.732375     -3.683982      1.283906
  C      -3.098952     -5.053292      1.447230
  N      -3.907036     -5.866119      2.396380
  C      -5.046212     -6.538897      1.716295
  C      -6.142000     -6.819816      2.729585
  N      -6.376987     -5.586690      3.480474
  Mo     -4.797552     -4.423582      3.941122
  N      -3.478893     -5.408540      5.045191
  C      -2.414055     -6.117338      4.319222
  C      -3.057614     -6.832326      3.141538
  H      -1.930683     -6.858486      4.974466
  H      -1.628117     -5.421425      3.976305
  H      -3.707191     -7.630342      3.525102
  H      -2.308297     -7.284957      2.469821
  H      -7.059825     -7.129628      2.202579
  H      -5.857556     -7.655981      3.396208
  H      -5.432521     -5.843921      0.957466
  H      -4.704921     -7.456331      1.207051
  H      -3.044584     -3.032467      0.720358
  H      -4.664960     -3.749171      0.694164
  H      -2.098324     -4.927952      1.882591
  H      -2.993807     -5.579713      0.483637
  C      -3.907786     -1.740913      2.746271
  C      -3.457842     -1.165611      3.957936
  C      -3.422822      0.213198      4.140143
  C      -3.825016      1.036068      3.098426
  F      -3.795821      2.381732      3.280611
  C      -4.257992      0.517116      1.871171
  C      -4.742087      1.367611      0.772977
  O      -5.178277      0.944859     -0.292228
  C      -4.728423      2.902531      0.893793
  O      -3.864958      3.586154      0.402483
  C      -5.989640      3.469583      1.594742
  O      -6.812629      2.766041      2.104251
  Cl     -6.058175      5.237971      1.602611
  C      -4.288071     -0.878286      1.708386
  C      -7.547061     -5.474759      4.258400
  C      -8.070641     -6.464779      5.109096
  C      -8.982572     -6.105024      6.106440
  C      -9.301037     -4.764451      6.305300
  F     -10.030946     -4.425306      7.387438
  C      -8.812570     -3.765793      5.445034
  C      -8.805642     -2.322547      5.790314
  O      -9.740754     -1.705271      6.263780
  C      -7.438615     -1.553253      5.647235
  O      -5.468114     -3.072763      6.507897
  C      -6.902177     -1.286008      7.068736
  O      -7.360646     -1.591559      8.119226
  Cl     -5.532644     -0.017534      6.984902
  C      -8.065973     -4.184966      4.343861
  C      -3.427424     -5.450821      6.452064
  C      -2.211086     -5.308250      7.151170
  C      -2.175957     -5.309773      8.544832
  C      -3.364403     -5.454333      9.244531
  F      -3.329583     -5.423214     10.600388
  C      -4.593167     -5.620823      8.590203
  C      -5.869228     -5.760126      9.302546
  O      -6.970000     -5.807132      8.763289
  C      -5.931310     -5.965178     10.822118
  O      -5.820928     -7.053833     11.332199
  C      -6.299985     -4.678682     11.600285
  O      -6.211940     -3.587903     11.121115
  Cl     -6.750275     -4.984833     13.291201
  C      -4.602643     -5.622486      7.187509
  H      -3.140593     -1.824989      4.767514
  H      -3.088525      0.651730      5.079524
  H      -4.660142     -1.262222      0.758308
  H      -7.715429     -7.495140      5.056319
  H      -9.367990     -6.846218      6.806515
  H      -7.727521     -3.448459      3.624802
  H      -1.282022     -5.165202      6.597813
  H      -1.241593     -5.181307      9.091152
  H      -5.559281     -5.763314      6.682406
  N      -5.574759     -3.132444      5.253179
  N      -6.446707     -2.054250      4.702053
  H      -5.802154     -1.295734      4.449541
  H      -7.716960     -0.557406      5.266454
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590779422031
  N      -3.955181     -3.138683      2.624918
  C      -3.720291     -3.691204      1.281939
  C      -3.091473     -5.062482      1.446248
  N      -3.900294     -5.871169      2.398396
  C      -5.042454     -6.542113      1.721673
  C      -6.137980     -6.817297      2.736998
  N      -6.369377     -5.580997      3.484015
  Mo     -4.785720     -4.422359      3.940807
  N      -3.469636     -5.410431      5.045842
  C      -2.406354     -6.121872      4.320396
  C      -3.052346     -6.837879      3.144496
  H      -1.923493     -6.862610      4.976434
  H      -1.619660     -5.427837      3.975444
  H      -3.703216     -7.633737      3.530478
  H      -2.304746     -7.293374      2.472802
  H      -7.056995     -7.126567      2.211746
  H      -5.855175     -7.652037      3.406069
  H      -5.427940     -5.847683      0.961825
  H      -4.704864     -7.461750      1.213874
  H      -3.031101     -3.043030      0.716148
  H      -4.654220     -3.753607      0.694005
  H      -2.089486     -4.939623      1.879225
  H      -2.989917     -5.590878      0.483373
  C      -3.891076     -1.745142      2.741662
  C      -3.433830     -1.167964      3.949251
  C      -3.402945      0.211272      4.130612
  C      -3.818837      1.031638      3.092554
  F      -3.793445      2.377657      3.273372
  C      -4.259996      0.510600      1.869042
  C      -4.763577      1.358506      0.777294
  O      -5.195505      0.933240     -0.288584
  C      -4.789498      2.892379      0.913325
  O      -3.961067      3.605184      0.403604
  C      -6.041642      3.416386      1.662409
  O      -6.831894      2.684180      2.183397
  Cl     -6.152060      5.181928      1.704901
  C      -4.283215     -0.884792      1.706133
  C      -7.542860     -5.460632      4.255729
  C      -8.080405     -6.446746      5.102217
  C      -8.997263     -6.080140      6.092659
  C      -9.307875     -4.737471      6.289175
  F     -10.043259     -4.393221      7.366181
  C      -8.805755     -3.742580      5.432584
  C      -8.791299     -2.298627      5.774532
  O      -9.725185     -1.674304      6.241520
  C      -7.418693     -1.538008      5.638600
  O      -5.478081     -3.082800      6.506782
  C      -6.886626     -1.278643      7.063171
  O      -7.354715     -1.577220      8.111300
  Cl     -5.497182     -0.029980      6.986793
  C      -8.052785     -4.167245      4.337821
  C      -3.422989     -5.457208      6.452684
  C      -2.208689     -5.320365      7.156602
  C      -2.178864     -5.324165      8.550363
  C      -3.370633     -5.464731      9.245425
  F      -3.340824     -5.435247     10.601500
  C      -4.597317     -5.626199      8.586432
  C      -5.877581     -5.760946      9.292387
  O      -6.974721     -5.813663      8.746366
  C      -5.947852     -5.952956     10.813461
  O      -5.852920     -7.038146     11.333772
  C      -6.304261     -4.654927     11.578418
  O      -6.205741     -3.570274     11.087410
  Cl     -6.751700     -4.938305     13.273778
  C      -4.601313     -5.626780      7.183573
  H      -3.108174     -1.825810      4.756778
  H      -3.062191      0.652046      5.066597
  H      -4.662268     -1.270834      0.759718
  H      -7.732399     -7.479697      5.052279
  H      -9.392452     -6.818805      6.789965
  H      -7.706406     -3.432501      3.621016
  H      -1.277176     -5.179725      6.606755
  H      -1.246282     -5.200231      9.100769
  H      -5.556711     -5.764124      6.675277
  N      -5.565506     -3.129826      5.250301
  N      -6.425845     -2.041900      4.696465
  H      -5.773048     -1.287392      4.452831
  H      -7.688869     -0.538877      5.259941
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590801380125
  N      -3.940304     -3.143145      2.621755
  C      -3.710164     -3.698812      1.279230
  C      -3.085239     -5.071670      1.445188
  N      -3.894303     -5.876029      2.400921
  C      -5.039254     -6.546129      1.728196
  C      -6.134251     -6.815433      2.745924
  N      -6.362185     -5.575677      3.488538
  Mo     -4.774839     -4.420604      3.940367
  N      -3.460452     -5.410040      5.046798
  C      -2.398759     -6.124287      4.321898
  C      -3.047297     -6.842399      3.148510
  H      -1.915901     -6.864001      4.979049
  H      -1.611673     -5.432122      3.974140
  H      -3.699083     -7.636055      3.537607
  H      -2.301397     -7.300997      2.477026
  H      -7.054466     -7.124559      2.222704
  H      -5.852747     -7.648371      3.417740
  H      -5.424359     -5.852938      0.966915
  H      -4.704982     -7.468129      1.222435
  H      -3.020058     -3.053930      0.710729
  H      -4.645480     -3.759346      0.693310
  H      -2.081948     -4.950515      1.875653
  H      -2.987112     -5.602555      0.483351
  C      -3.875063     -1.749399      2.736246
  C      -3.411242     -1.170826      3.940209
  C      -3.384341      0.208740      4.121301
  C      -3.812800      1.027049      3.086966
  F      -3.791300      2.373331      3.266884
  C      -4.260947      0.504455      1.866647
  C      -4.781580      1.350319      0.781085
  O      -5.207388      0.923627     -0.286659
  C      -4.847306      2.881831      0.933428
  O      -4.054580      3.623352      0.408243
  C      -6.089261      3.362167      1.727513
  O      -6.846739      2.601993      2.257220
  Cl     -6.240389      5.123196      1.805684
  C      -4.277836     -0.890823      1.703118
  C      -7.539150     -5.446437      4.253803
  C      -8.090064     -6.427661      5.097333
  C      -9.012009     -6.053353      6.080291
  C      -9.315498     -4.708567      6.272621
  F     -10.056499     -4.358053      7.343984
  C      -8.800204     -3.718385      5.418553
  C      -8.778838     -2.273323      5.755594
  O      -9.712017     -1.641631      6.214422
  C      -7.400559     -1.521619      5.627243
  O      -5.492706     -3.092959      6.504405
  C      -6.873759     -1.269539      7.055142
  O      -7.352485     -1.559891      8.100678
  Cl     -5.463306     -0.042849      6.986806
  C      -8.040638     -4.149621      4.330950
  C      -3.418372     -5.461062      6.453602
  C      -2.206118     -5.328456      7.161932
  C      -2.181106     -5.334829      8.555785
  C      -3.375719     -5.473323      9.246571
  F      -3.350459     -5.446267     10.602857
  C      -4.600322     -5.630939      8.583334
  C      -5.884121     -5.763641      9.283502
  O      -6.977901     -5.822618      8.731477
  C      -5.960892     -5.946389     10.805573
  O      -5.878400     -7.029145     11.332902
  C      -6.307697     -4.640159     11.561166
  O      -6.202319     -3.560125     11.061419
  Cl     -6.747937     -4.906844     13.260892
  C      -4.599364     -5.629931      7.180331
  H      -3.078177     -1.827563      4.745668
  H      -3.037824      0.651280      5.054325
  H      -4.663202     -1.278730      0.760069
  H      -7.748781     -7.463047      5.051646
  H      -9.416511     -6.788701      6.775780
  H      -7.686617     -3.417593      3.615487
  H      -1.272547     -5.188959      6.615293
  H      -1.250257     -5.214405      9.109904
  H      -5.553510     -5.764926      6.669166
  N      -5.558647     -3.126634      5.246389
  N      -6.406509     -2.029191      4.689156
  H      -5.745283     -1.279214      4.454048
  H      -7.661873     -0.519320      5.250076
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590825077844
  N      -3.926889     -3.147875      2.617631
  C      -3.701475     -3.707053      1.275745
  C      -3.080070     -5.081297      1.443856
  N      -3.889050     -5.880987      2.403739
  C      -5.036659     -6.550982      1.735506
  C      -6.131000     -6.814120      2.755848
  N      -6.355428     -5.570677      3.493614
  Mo     -4.764741     -4.418561      3.939609
  N      -3.451338     -5.407763      5.047819
  C      -2.391364     -6.125152      4.323547
  C      -3.042684     -6.846343      3.153397
  H      -1.908120     -6.863288      4.982142
  H      -1.604126     -5.434994      3.972217
  H      -3.695193     -7.637596      3.546304
  H      -2.298541     -7.308449      2.482344
  H      -7.052439     -7.123271      2.234813
  H      -5.850707     -7.645030      3.430621
  H      -5.421587     -5.859609      0.972364
  H      -4.705462     -7.475565      1.232388
  H      -3.010770     -3.065473      0.704195
  H      -4.638223     -3.766293      0.691992
  H      -2.075459     -4.961366      1.871611
  H      -2.985438     -5.615163      0.483358
  C      -3.859062     -1.754079      2.730213
  C      -3.388254     -1.174830      3.930675
  C      -3.364914      0.204957      4.112215
  C      -3.805974      1.021819      3.082267
  F      -3.788168      2.368249      3.261971
  C      -4.261157      0.498411      1.864918
  C      -4.797465      1.342826      0.785686
  O      -5.215716      0.915813     -0.284900
  C      -4.903380      2.870631      0.955452
  O      -4.146562      3.640348      0.418156
  C      -6.134961      3.306901      1.790405
  O      -6.860393      2.519657      2.325574
  Cl     -6.325169      5.061811      1.905284
  C      -4.272114     -0.896615      1.699965
  C      -7.535861     -5.432060      4.252213
  C      -8.099781     -6.407589      5.093698
  C      -9.026820     -6.024850      6.068731
  C      -9.323580     -4.677907      6.255501
  F     -10.070286     -4.320198      7.320778
  C      -8.795393     -3.693196      5.403121
  C      -8.767631     -2.246804      5.733974
  O      -9.700548     -1.607509      6.183132
  C      -7.383624     -1.504254      5.613960
  O      -5.510467     -3.103100      6.500697
  C      -6.862957     -1.259586      7.045553
  O      -7.352946     -1.541602      8.088067
  Cl     -5.430859     -0.056588      6.986736
  C      -8.029125     -4.131900      4.323259
  C      -3.413586     -5.462614      6.454573
  C      -2.203393     -5.332432      7.166931
  C      -2.182810     -5.341162      8.560862
  C      -3.379877     -5.479207      9.247697
  F      -3.358845     -5.454545     10.604178
  C      -4.602348     -5.634531      8.580608
  C      -5.889192     -5.767318      9.275420
  O      -6.979707     -5.833571      8.717858
  C      -5.971118     -5.943833     10.798129
  O      -5.897981     -7.025020     11.329952
  C      -6.311641     -4.632215     11.547358
  O      -6.203091     -3.555439     11.041274
  Cl     -6.740832     -4.887333     13.251517
  C      -4.596840     -5.632046      7.177478
  H      -3.047997     -1.831029      4.733616
  H      -3.012310      0.648674      5.042377
  H      -4.663799     -1.285922      0.760154
  H      -7.765003     -7.445319      5.053294
  H      -9.440378     -6.756233      6.763096
  H      -7.667652     -3.403365      3.608328
  H      -1.268146     -5.192876      6.623184
  H      -1.253715     -5.222856      9.118380
  H      -5.549685     -5.766034      6.663726
  N      -5.553448     -3.122987      5.241524
  N      -6.388213     -2.016084      4.680667
  H      -5.718347     -1.271118      4.453918
  H      -7.635337     -0.498780      5.237988
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590878062501
  N      -3.916940     -3.152138      2.612971
  C      -3.696362     -3.715136      1.271843
  C      -3.077335     -5.090233      1.442341
  N      -3.885027     -5.885413      2.407227
  C      -5.034995     -6.556800      1.744457
  C      -6.128046     -6.814091      2.768026
  N      -6.349563     -5.566775      3.500422
  Mo     -4.756356     -4.416104      3.939102
  N      -3.442060     -5.402442      5.048987
  C      -2.383716     -6.122644      4.325058
  C      -3.038038     -6.848461      3.159239
  H      -1.898899     -6.858216      4.985320
  H      -1.597177     -5.434138      3.969024
  H      -3.690367     -7.637500      3.557021
  H      -2.295685     -7.314026      2.488553
  H      -7.050698     -7.124153      2.249704
  H      -5.848082     -7.642486      3.445965
  H      -5.420628     -5.868094      0.979125
  H      -4.706264     -7.484023      1.244522
  H      -3.005838     -3.076566      0.696688
  H      -4.634743     -3.774007      0.690694
  H      -2.071278     -4.970472      1.866763
  H      -2.986316     -5.627489      0.483435
  C      -3.845107     -1.758438      2.723960
  C      -3.368098     -1.178961      3.921354
  C      -3.347409      0.201032      4.103452
  C      -3.799269      1.016866      3.077643
  F      -3.784619      2.363393      3.257259
  C      -4.260650      0.493091      1.862827
  C      -4.809922      1.336609      0.789328
  O      -5.222046      0.910108     -0.283855
  C      -4.950590      2.860060      0.974939
  O      -4.226026      3.653464      0.427838
  C      -6.169951      3.258339      1.846418
  O      -6.866361      2.448692      2.386836
  Cl     -6.391355      5.006776      1.994725
  C      -4.266917     -0.901627      1.696342
  C      -7.533591     -5.418840      4.252076
  C      -8.109552     -6.387964      5.092744
  C      -9.041969     -5.996404      6.059234
  C      -9.333286     -4.647410      6.238549
  F     -10.085864     -4.281670      7.297274
  C      -8.793164     -3.668911      5.386657
  C      -8.760176     -2.220815      5.709655
  O      -9.693695     -1.573821      6.146877
  C      -7.370463     -1.487357      5.599345
  O      -5.537564     -3.116860      6.496455
  C      -6.857199     -1.250842      7.035181
  O      -7.360047     -1.523192      8.074056
  Cl     -5.401086     -0.075311      6.987739
  C      -8.019762     -4.115760      4.315281
  C      -3.407939     -5.461015      6.455712
  C      -2.199781     -5.329869      7.171393
  C      -2.182826     -5.340959      8.565373
  C      -3.381583     -5.482077      9.248899
  F      -3.364115     -5.459912     10.605552
  C      -4.601803     -5.638530      8.578691
  C      -5.890907     -5.775651      9.268741
  O      -6.978112     -5.852396      8.706125
  C      -5.976377     -5.948269     10.791868
  O      -5.908188     -7.028399     11.326431
  C      -6.315425     -4.633851     11.536925
  O      -6.208224     -3.559126     11.026236
  Cl     -6.730252     -4.881783     13.245565
  C      -4.592575     -5.634325      7.175402
  H      -3.022095     -1.834991      4.722050
  H      -2.989315      0.645609      5.031087
  H      -4.664267     -1.291973      0.759412
  H      -7.780238     -7.427691      5.059090
  H      -9.463732     -6.723227      6.753481
  H      -7.651623     -3.391549      3.599892
  H      -1.263614     -5.187641      6.629928
  H      -1.255548     -5.222122      9.125805
  H      -5.544017     -5.770081      6.659648
  N      -5.552878     -3.119987      5.236464
  N      -6.373249     -2.003628      4.671911
  H      -5.694519     -1.264162      4.453261
  H      -7.611869     -0.478581      5.224429
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.590996826219
  N      -3.913373     -3.154746      2.608648
  C      -3.697514     -3.721584      1.268304
  C      -3.078963     -5.096714      1.440947
  N      -3.883374     -5.888317      2.411682
  C      -5.035143     -6.563197      1.755550
  C      -6.125798     -6.815945      2.783232
  N      -6.345610     -5.564912      3.510162
  Mo     -4.751339     -4.413160      3.939580
  N      -3.432868     -5.392863      5.050288
  C      -2.375961     -6.114945      4.325919
  C      -3.033616     -6.847319      3.165871
  H      -1.887612     -6.846625      4.987855
  H      -1.591556     -5.427282      3.963693
  H      -3.684246     -7.634656      3.569921
  H      -2.293152     -7.315883      2.495130
  H      -7.049608     -7.128282      2.268370
  H      -5.844533     -7.641359      3.464206
  H      -5.423021     -5.878061      0.987998
  H      -4.707802     -7.492776      1.259015
  H      -3.008248     -3.085333      0.689072
  H      -4.637725     -3.781236      0.690225
  H      -2.071278     -4.975579      1.861131
  H      -2.991587     -5.637454      0.483722
  C      -3.836009     -1.761311      2.718525
  C      -3.355575     -1.181951      3.914049
  C      -3.335563      0.198317      4.096114
  C      -3.793030      1.013604      3.072667
  F      -3.779114      2.360277      3.251437
  C      -4.258062      0.489784      1.859300
  C      -4.814234      1.333197      0.789244
  O      -5.223375      0.907598     -0.285519
  C      -4.977368      2.853179      0.985618
  O      -4.273854      3.661349      0.432685
  C      -6.185551      3.227415      1.883228
  O      -6.862219      2.404140      2.428152
  Cl     -6.423039      4.971190      2.056573
  C      -4.262478     -0.904723      1.692087
  C      -7.533297     -5.408657      4.254900
  C      -8.119116     -6.371061      5.096421
  C      -9.057267     -5.971085      6.053949
  C      -9.345680     -4.620395      6.223652
  F     -10.104195     -4.246250      7.275594
  C      -8.795846     -3.648548      5.370627
  C      -8.759742     -2.198354      5.684068
  O      -9.695229     -1.544019      6.106449
  C      -7.364522     -1.473392      5.585792
  O      -5.580398     -3.138717      6.492823
  C      -6.860255     -1.247118      7.026662
  O      -7.378059     -1.508266      8.060962
  Cl     -5.376377     -0.104773      6.993477
  C      -8.014785     -4.103565      4.308262
  C      -3.400886     -5.455295      6.457028
  C      -2.194660     -5.317426      7.174755
  C      -2.179813     -5.331072      8.568740
  C      -3.378868     -5.481286      9.250167
  F      -3.363672     -5.461786     10.606955
  C      -4.596683     -5.644716      8.578152
  C      -5.886684     -5.793141      9.264487
  O      -6.970355     -5.886530      8.697581
  C      -5.973384     -5.963578     10.787947
  O      -5.903337     -7.042717     11.324230
  C      -6.318332     -4.649130     11.530275
  O      -6.218703     -3.575367     11.016084
  Cl     -6.714833     -4.893741     13.243599
  C      -4.585253     -5.638402      7.174627
  H      -3.007538     -1.838092      4.713877
  H      -2.973995      0.643533      5.022087
  H      -4.663531     -1.295630      0.757061
  H      -7.793087     -7.412075      5.071151
  H      -9.485345     -6.693032      6.749447
  H      -7.641824     -3.384311      3.591059
  H      -1.258955     -5.167895      6.634458
  H      -1.254435     -5.207239      9.131240
  H      -5.535152     -5.780602      6.657949
  N      -5.560467     -3.119248      5.232730
  N      -6.364879     -1.993455      4.665316
  H      -5.677259     -1.259822      4.454273
  H      -7.595120     -0.460930      5.212452
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591136748581
  N      -3.914467     -3.156324      2.604821
  C      -3.702991     -3.726522      1.265125
  C      -3.083606     -5.101175      1.439355
  N      -3.883490     -5.890160      2.416134
  C      -5.036539     -6.569804      1.767067
  C      -6.124186     -6.819289      2.799188
  N      -6.343230     -5.564952      3.521016
  Mo     -4.749048     -4.410451      3.940484
  N      -3.424359     -5.381268      5.051266
  C      -2.368684     -6.104468      4.325909
  C      -3.029600     -6.844162      3.172181
  H      -1.875702     -6.831656      4.989321
  H      -1.587248     -5.417044      3.956962
  H      -3.677565     -7.630286      3.582976
  H      -2.290945     -7.315151      2.501080
  H      -7.049016     -7.134659      2.288042
  H      -5.840590     -7.641644      3.482839
  H      -5.427609     -5.888634      0.997451
  H      -4.709701     -7.501359      1.273840
  H      -3.015694     -3.091837      0.681839
  H      -4.645074     -3.787598      0.690288
  H      -2.074235     -4.977762      1.854847
  H      -2.999748     -5.645135      0.483704
  C      -3.830775     -1.763292      2.714304
  C      -3.349259     -1.184533      3.909129
  C      -3.328862      0.196009      4.091149
  C      -3.787857      1.011358      3.068729
  F      -3.772883      2.358169      3.246485
  C      -4.254206      0.487995      1.855686
  C      -4.812362      1.332017      0.787085
  O      -5.220536      0.907391     -0.288536
  C      -4.988431      2.849737      0.989931
  O      -4.296546      3.666004      0.434165
  C      -6.187735      3.210869      1.904808
  O      -6.852823      2.380508      2.453128
  Cl     -6.430351      4.951914      2.095765
  C      -4.258831     -0.906374      1.688153
  C      -7.534208     -5.401537      4.259468
  C      -8.127689     -6.357509      5.102888
  C      -9.071264     -5.949985      6.051893
  C      -9.358571     -4.597945      6.211298
  F     -10.122609     -4.215795      7.256770
  C      -8.801097     -3.632502      5.356276
  C      -8.763332     -2.180168      5.659960
  O      -9.701443     -1.519260      6.066514
  C      -7.363151     -1.462748      5.574814
  O      -5.630797     -3.165742      6.488807
  C      -6.868191     -1.248107      7.020882
  O      -7.400955     -1.498025      8.050235
  Cl     -5.355747     -0.141613      7.003260
  C      -8.012756     -4.095093      4.302546
  C      -3.393463     -5.447330      6.458033
  C      -2.189155     -5.299050      7.176977
  C      -2.175457     -5.314879      8.570937
  C      -3.373897     -5.477381      9.251070
  F      -3.360143     -5.460050     10.607960
  C      -4.589170     -5.651402      8.578090
  C      -5.879143     -5.814633      9.261443
  O      -6.958977     -5.927823      8.690828
  C      -5.965747     -5.983382     10.785243
  O      -5.889820     -7.061353     11.323038
  C      -6.320908     -4.670310     11.525208
  O      -6.232172     -3.597124     11.007862
  Cl     -6.697445     -4.912989     13.243180
  C      -4.576464     -5.643397      7.174297
  H      -3.002052     -1.841131      4.709050
  H      -2.965708      0.641486      5.016379
  H      -4.661914     -1.297289      0.754103
  H      -7.803320     -7.399237      5.086410
  H      -9.504009     -6.667210      6.749421
  H      -7.636548     -3.380801      3.582696
  H      -1.254836     -5.139584      6.637119
  H      -1.252076     -5.183221      9.134955
  H      -5.524676     -5.794878      6.657348
  N      -5.572719     -3.120765      5.230157
  N      -6.360810     -1.985688      4.661383
  H      -5.664720     -1.257799      4.457669
  H      -7.583282     -0.446532      5.203859
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591259748998
  N      -3.918148     -3.157668      2.600986
  C      -3.711078     -3.730795      1.261778
  C      -3.089995     -5.104676      1.437082
  N      -3.884488     -5.891651      2.420061
  C      -5.038444     -6.576881      1.778314
  C      -6.122781     -6.823803      2.814974
  N      -6.341613     -5.566398      3.531837
  Mo     -4.748308     -4.408269      3.941260
  N      -3.416379     -5.368998      5.051650
  C      -2.361741     -6.092783      4.325061
  C      -3.025634     -6.840056      3.177755
  H      -1.863587     -6.815245      4.989746
  H      -1.583723     -5.405196      3.949339
  H      -3.670330     -7.625361      3.595351
  H      -2.288598     -7.312960      2.506158
  H      -7.048507     -7.142646      2.307638
  H      -5.836316     -7.643023      3.501139
  H      -5.433215     -5.899988      1.006668
  H      -4.711520     -7.510208      1.288434
  H      -3.026342     -3.097117      0.674399
  H      -4.655155     -3.793683      0.690459
  H      -2.078869     -4.978460      1.847482
  H      -3.009687     -5.651663      0.482919
  C      -3.827370     -1.765192      2.710743
  C      -3.345913     -1.187714      3.905676
  C      -3.324624      0.193040      4.088152
  C      -3.783074      1.009151      3.066355
  F      -3.766212      2.356022      3.243598
  C      -4.249442      0.486947      1.852819
  C      -4.807018      1.332206      0.784785
  O      -5.214735      0.908754     -0.291578
  C      -4.991842      2.848253      0.992286
  O      -4.306718      3.669710      0.435707
  C      -6.184329      3.201126      1.919270
  O      -6.842191      2.366551      2.469731
  Cl     -6.427422      4.940381      2.124165
  C      -4.255312     -0.907258      1.684712
  C      -7.535478     -5.396384      4.264537
  C      -8.135078     -6.346187      5.110526
  C      -9.083572     -5.931736      6.051563
  C      -9.370628     -4.578536      6.200571
  F     -10.139675     -4.188767      7.239933
  C      -8.806840     -3.619223      5.343154
  C      -8.768110     -2.164863      5.637383
  O      -9.709078     -1.497904      6.027601
  C      -7.363427     -1.454465      5.566249
  O      -5.683075     -3.195443      6.483665
  C      -6.877776     -1.252779      7.017545
  O      -7.424904     -1.492408      8.041671
  Cl     -5.337396     -0.183247      7.016693
  C      -8.011928     -4.088916      4.297418
  C      -3.386293     -5.438397      6.458425
  C      -2.184065     -5.278254      7.178412
  C      -2.171350     -5.295631      8.572325
  C      -3.368879     -5.471052      9.251345
  F      -3.356434     -5.455165     10.608323
  C      -4.581420     -5.656869      8.577595
  C      -5.871039     -5.835403      9.258162
  O      -6.946684     -5.968758      8.684024
  C      -5.957169     -6.002715     10.782299
  O      -5.874687     -7.079525     11.321413
  C      -6.322990     -4.691384     11.520182
  O      -6.245409     -3.618736     10.999945
  Cl     -6.679404     -4.932223     13.242611
  C      -4.567586     -5.647934      7.173520
  H      -3.001078     -1.845204      4.705994
  H      -2.960938      0.638255      5.013310
  H      -4.659582     -1.297555      0.751015
  H      -7.811451     -7.388264      5.102822
  H      -9.519952     -6.644378      6.751559
  H      -7.633435     -3.379473      3.574408
  H      -1.251465     -5.108232      6.638796
  H      -1.250142     -5.155110      9.137775
  H      -5.513949     -5.809557      6.656396
  N      -5.586513     -3.124030      5.228253
  N      -6.358272     -1.979593      4.659591
  H      -5.654044     -1.257347      4.463422
  H      -7.573368     -0.434402      5.198699
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591342626145
  N      -3.923998     -3.159570      2.596302
  C      -3.721771     -3.735334      1.257446
  C      -3.097984     -5.108113      1.433387
  N      -3.885986     -5.893517      2.423057
  C      -5.040353     -6.585530      1.789102
  C      -6.121119     -6.830242      2.830421
  N      -6.340317     -5.569750      3.541945
  Mo     -4.748786     -4.407051      3.941300
  N      -3.408798     -5.356353      5.051108
  C      -2.354857     -6.080094      4.323202
  C      -3.021177     -6.835410      3.182391
  H      -1.850956     -6.797474      4.989044
  H      -1.580811     -5.391829      3.940652
  H      -3.661866     -7.620401      3.606829
  H      -2.285394     -7.309614      2.510281
  H      -7.047589     -7.153204      2.327085
  H      -5.831243     -7.645960      3.519274
  H      -5.439367     -5.913590      1.015180
  H      -4.712610     -7.520573      1.302989
  H      -3.040425     -3.102149      0.665618
  H      -4.668145     -3.800612      0.690260
  H      -2.084930     -4.978491      1.837993
  H      -3.021513     -5.658109      0.480705
  C      -3.824882     -1.767892      2.707210
  C      -3.343516     -1.192928      3.902917
  C      -3.320857      0.187867      4.087091
  C      -3.777883      1.005875      3.066391
  F      -3.758593      2.352641      3.244385
  C      -4.243921      0.486116      1.851667
  C      -4.799761      1.333683      0.784386
  O      -5.207132      0.912180     -0.292961
  C      -4.991560      2.848192      0.996746
  O      -4.311452      3.673940      0.440275
  C      -6.177633      3.194340      1.934440
  O      -6.830032      2.356486      2.486207
  Cl     -6.418971      4.932103      2.152803
  C      -4.251837     -0.907782      1.681914
  C      -7.536763     -5.393163      4.269135
  C      -8.141103     -6.336834      5.118553
  C      -9.094027     -5.915756      6.052033
  C      -9.381417     -4.561472      6.190315
  F     -10.155008     -4.164210      7.223799
  C      -8.812452     -3.608226      5.329995
  C      -8.773288     -2.151902      5.614905
  O      -9.717373     -1.479174      5.987670
  C      -7.364514     -1.448280      5.559032
  O      -5.734672     -3.226724      6.476634
  C      -6.888594     -1.260995      7.015721
  O      -7.449698     -1.492240      8.034070
  Cl     -5.321937     -0.228431      7.033649
  C      -8.011706     -4.084871      4.291645
  C      -3.379585     -5.428547      6.457853
  C      -2.179626     -5.256159      7.178959
  C      -2.168102     -5.274078      8.572813
  C      -3.364745     -5.461595      9.250670
  F      -3.353793     -5.446239     10.607733
  C      -4.574404     -5.659223      8.576097
  C      -5.863627     -5.851884      9.253962
  O      -6.934893     -6.004374      8.676468
  C      -5.949213     -6.017662     10.778459
  O      -5.861270     -7.093389     11.318815
  C      -6.324035     -4.707741     11.514359
  O      -6.256532     -3.635778     10.991286
  Cl     -6.660581     -4.946031     13.241121
  C      -4.559238     -5.650529      7.171743
  H      -3.001724     -1.852144      4.703211
  H      -2.956903      0.631846      5.012759
  H      -4.657204     -1.296454      0.748098
  H      -7.817437     -7.378938      5.119812
  H      -9.533226     -6.623719      6.755046
  H      -7.631698     -3.380304      3.564848
  H      -1.248738     -5.076173      6.639615
  H      -1.249209     -5.124549      9.139738
  H      -5.503595     -5.822159      6.654285
  N      -5.600523     -3.129163      5.226304
  N      -6.356242     -1.975154      4.658945
  H      -5.644200     -1.258480      4.470853
  H      -7.564294     -0.424297      5.195994
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591376225228
  N      -3.932331     -3.162989      2.590011
  C      -3.735237     -3.740843      1.251374
  C      -3.107452     -5.112123      1.427538
  N      -3.888118     -5.896562      2.424049
  C      -5.041902     -6.596634      1.797591
  C      -6.119410     -6.839471      2.842997
  N      -6.339879     -5.575941      3.548673
  Mo     -4.751267     -4.407866      3.939658
  N      -3.403232     -5.345008      5.049098
  C      -2.349197     -6.067680      4.320183
  C      -3.016603     -6.831075      3.185161
  H      -1.839435     -6.779894      4.987109
  H      -1.579541     -5.377949      3.931506
  H      -3.652628     -7.616610      3.615675
  H      -2.281176     -7.305482      2.512772
  H      -7.046220     -7.167183      2.343398
  H      -5.825908     -7.651254      3.534916
  H      -5.445287     -5.930429      1.020908
  H      -4.712159     -7.533269      1.315882
  H      -3.058212     -3.107436      0.654873
  H      -4.684167     -3.809336      0.688921
  H      -2.092395     -4.978579      1.825866
  H      -3.034922     -5.664955      0.476243
  C      -3.823567     -1.772489      2.703490
  C      -3.341366     -1.202413      3.900964
  C      -3.316359      0.177980      4.089467
  C      -3.771409      1.000097      3.071298
  F      -3.748956      2.346383      3.252828
  C      -4.237549      0.485293      1.854455
  C      -4.791107      1.337308      0.789295
  O      -5.198358      0.919608     -0.289620
  C      -4.987096      2.850400      1.007957
  O      -4.309956      3.679620      0.452953
  C      -6.167821      3.191266      1.954268
  O      -6.817256      2.350965      2.505587
  Cl     -6.405515      4.927869      2.185486
  C      -4.248626     -0.907986      1.680589
  C      -7.538078     -5.393391      4.271534
  C      -8.143923     -6.331541      5.125982
  C      -9.099611     -5.904839      6.053834
  C      -9.388320     -4.549626      6.181839
  F     -10.164815     -4.145717      7.210767
  C      -8.817313     -3.601847      5.317389
  C      -8.778887     -2.143682      5.593570
  O      -9.726340     -1.466219      5.948831
  C      -7.367328     -1.445415      5.552161
  O      -5.773460     -3.252126      6.468450
  C      -6.900683     -1.271018      7.013745
  O      -7.473463     -1.499222      8.026221
  Cl     -5.316225     -0.265727      7.050540
  C      -8.012865     -4.084721      4.284333
  C      -3.374685     -5.417882      6.455801
  C      -2.176794     -5.234277      7.177780
  C      -2.166521     -5.250573      8.571582
  C      -3.362433     -5.447144      9.248542
  F      -3.352969     -5.430543     10.605677
  C      -4.569541     -5.655425      8.573336
  C      -5.858275     -5.858594      9.249391
  O      -6.926091     -6.025729      8.669693
  C      -5.942790     -6.023254     10.774212
  O      -5.851044     -7.098311     11.315195
  C      -6.323350     -4.714346     11.508985
  O      -6.263706     -3.642858     10.983887
  Cl     -6.643312     -4.950472     13.239347
  C      -4.553059     -5.649030      7.168785
  H      -3.002647     -1.865007      4.699838
  H      -2.951839      0.618643      5.016531
  H      -4.655344     -1.293074      0.745917
  H      -7.818876     -7.373167      5.135615
  H      -9.539690     -6.608290      6.760840
  H      -7.632915     -3.384610      3.552929
  H      -1.247233     -5.047044      6.638618
  H      -1.249650     -5.092858      9.139588
  H      -5.495384     -5.829700      6.650845
  N      -5.611817     -3.135741      5.223452
  N      -6.355797     -1.974007      4.657575
  H      -5.638086     -1.261856      4.475932
  H      -7.558441     -0.418443      5.193540
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591390073732
  N      -3.935227     -3.164643      2.588126
  C      -3.738934     -3.742237      1.249413
  C      -3.109452     -5.112897      1.425345
  N      -3.888870     -5.897772      2.422528
  C      -5.041845     -6.599561      1.796407
  C      -6.119381     -6.842381      2.841697
  N      -6.340990     -5.578474      3.546147
  Mo     -4.753381     -4.409579      3.938356
  N      -3.404488     -5.345166      5.047792
  C      -2.349745     -6.066747      4.319057
  C      -3.016186     -6.830980      3.183924
  H      -1.839326     -6.778448      4.986050
  H      -1.580837     -5.376171      3.930367
  H      -3.651243     -7.617369      3.614290
  H      -2.279982     -7.304400      2.511708
  H      -7.045812     -7.171311      2.342197
  H      -5.825305     -7.653252      3.534442
  H      -5.445618     -5.934550      1.018950
  H      -4.711028     -7.536332      1.315725
  H      -3.063384     -3.108041      0.652106
  H      -4.688411     -3.812053      0.688065
  H      -2.094214     -4.978399      1.822896
  H      -3.037175     -5.665879      0.474112
  C      -3.824762     -1.774604      2.703004
  C      -3.342222     -1.206970      3.901742
  C      -3.316374      0.172998      4.092970
  C      -3.770463      0.997429      3.076142
  F      -3.747429      2.343321      3.260482
  C      -4.236305      0.485240      1.858065
  C      -4.788447      1.339520      0.793934
  O      -5.195796      0.923753     -0.285667
  C      -4.981536      2.852798      1.013829
  O      -4.301886      3.680954      0.460293
  C      -6.163120      3.195717      1.958253
  O      -6.815317      2.356665      2.508153
  Cl     -6.397925      4.932869      2.189062
  C      -4.248454     -0.907697      1.681669
  C      -7.538660     -5.396174      4.269746
  C      -8.141690     -6.334419      5.126137
  C      -9.095996     -5.908121      6.055459
  C      -9.385707     -4.552978      6.183029
  F     -10.160765     -4.149135      7.212980
  C      -8.817555     -3.605134      5.316868
  C      -8.780505     -2.146815      5.592542
  O      -9.728678     -1.469809      5.946441
  C      -7.369718     -1.447770      5.551288
  O      -5.766725     -3.249171      6.468361
  C      -6.903144     -1.272316      7.012819
  O      -7.475349     -1.503871      8.024962
  Cl     -5.323597     -0.260692      7.050258
  C      -8.014841     -4.087925      4.282322
  C      -3.375712     -5.416072      6.454505
  C      -2.177794     -5.231600      7.176234
  C      -2.167517     -5.245731      8.570042
  C      -3.363377     -5.441393      9.247236
  F      -3.353914     -5.423021     10.604372
  C      -4.570543     -5.650763      8.572286
  C      -5.858983     -5.852623      9.249275
  O      -6.927605     -6.017867      8.670618
  C      -5.942293     -6.017626     10.774162
  O      -5.850279     -7.092958     11.314530
  C      -6.321740     -4.708952     11.509894
  O      -6.262078     -3.637077     10.985582
  Cl     -6.642411     -4.946207     13.240137
  C      -4.554143     -5.646299      7.167778
  H      -3.003799     -1.871247      4.699324
  H      -2.951881      0.611544      5.021049
  H      -4.654752     -1.290840      0.745978
  H      -7.815278     -7.375605      5.135939
  H      -9.534238     -6.611350      6.763814
  H      -7.636154     -3.387843      3.550007
  H      -1.248097     -5.045563      6.636889
  H      -1.250568     -5.087302      9.137724
  H      -5.496209     -5.828061      6.649767
  N      -5.611321     -3.137323      5.222547
  N      -6.357923     -1.976882      4.656334
  H      -5.641532     -1.264280      4.472951
  H      -7.561277     -0.421423      5.192232
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591401964188
  N      -3.940998     -3.168911      2.583680
  C      -3.747731     -3.746591      1.244876
  C      -3.114333     -5.115668      1.420430
  N      -3.890249     -5.900843      2.420188
  C      -5.041979     -6.606999      1.796423
  C      -6.118853     -6.848786      2.842599
  N      -6.343217     -5.583051      3.542722
  Mo     -4.757290     -4.412700      3.936282
  N      -3.404708     -5.343230      5.044949
  C      -2.348950     -6.062646      4.316103
  C      -3.014305     -6.830344      3.182387
  H      -1.835925     -6.772250      4.983374
  H      -1.582409     -5.370443      3.925592
  H      -3.646634     -7.618279      3.613970
  H      -2.276871     -7.302131      2.510382
  H      -7.044593     -7.181552      2.344363
  H      -5.822714     -7.656578      3.538042
  H      -5.447138     -5.945363      1.016840
  H      -4.709286     -7.544624      1.318727
  H      -3.076343     -3.110797      0.644650
  H      -4.699012     -3.819851      0.687078
  H      -2.098440     -4.978579      1.815435
  H      -3.043265     -5.669666      0.469717
  C      -3.825898     -1.780066      2.701612
  C      -3.343118     -1.217795      3.903122
  C      -3.316465      0.161336      4.100538
  C      -3.769160      0.990725      3.087039
  F      -3.745528      2.335768      3.277332
  C      -4.233568      0.484379      1.866040
  C      -4.782086      1.343755      0.804042
  O      -5.188181      0.932521     -0.277789
  C      -4.973049      2.856584      1.028500
  O      -4.291091      3.684696      0.477635
  C      -6.154049      3.200096      1.973155
  O      -6.809805      2.361769      2.519671
  Cl     -6.382682      4.937488      2.209570
  C      -4.247181     -0.907718      1.683846
  C      -7.540890     -5.399802      4.265913
  C      -8.140639     -6.336807      5.126174
  C      -9.093387     -5.909739      6.056416
  C      -9.384182     -4.554564      6.181176
  F     -10.157261     -4.148922      7.211942
  C      -8.819434     -3.608100      5.311540
  C      -8.784354     -2.149107      5.584362
  O      -9.734355     -1.471471      5.932009
  C      -7.373831     -1.450835      5.547468
  O      -5.769871     -3.252489      6.466377
  C      -6.909777     -1.277079      7.010151
  O      -7.484969     -1.511345      8.020187
  Cl     -5.332287     -0.265103      7.053077
  C      -8.018826     -4.092146      4.275893
  C      -3.375476     -5.410861      6.451739
  C      -2.178171     -5.221593      7.173171
  C      -2.168151     -5.231144      8.567024
  C      -3.363613     -5.427998      9.244416
  F      -3.354544     -5.405605     10.601569
  C      -4.570017     -5.643233      8.569952
  C      -5.857793     -5.845342      9.248177
  O      -6.926590     -6.012979      8.670673
  C      -5.938824     -6.007312     10.773681
  O      -5.845586     -7.081788     11.315519
  C      -6.317737     -4.697770     11.508058
  O      -6.259912     -3.626520     10.982464
  Cl     -6.633876     -4.932726     13.239767
  C      -4.553437     -5.643097      7.165428
  H      -3.004948     -1.885739      4.697743
  H      -2.952085      0.595465      5.030716
  H      -4.651832     -1.286840      0.745770
  H      -7.812174     -7.377308      5.138083
  H      -9.529224     -6.611478      6.767712
  H      -7.641085     -3.393347      3.541986
  H      -1.248660     -5.035688      6.633453
  H      -1.251698     -5.068838      9.134406
  H      -5.494262     -5.830663      6.647304
  N      -5.615160     -3.141616      5.220426
  N      -6.361146     -1.981492      4.653680
  H      -5.644726     -1.269637      4.468894
  H      -7.563326     -0.424346      5.188431
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591406502568
  N      -3.944897     -3.171006      2.581961
  C      -3.752549     -3.748591      1.243100
  C      -3.117298     -5.116859      1.418328
  N      -3.891509     -5.902375      2.419170
  C      -5.042456     -6.610832      1.796498
  C      -6.118937     -6.852397      2.843125
  N      -6.344969     -5.585789      3.541103
  Mo     -4.760069     -4.414383      3.935697
  N      -3.404746     -5.341712      5.043635
  C      -2.348658     -6.059980      4.314246
  C      -3.013765     -6.829819      3.181818
  H      -1.833785     -6.768241      4.981546
  H      -1.583643     -5.366929      3.922270
  H      -3.644569     -7.618378      3.614477
  H      -2.275829     -7.301015      2.509920
  H      -7.044295     -7.187378      2.345677
  H      -5.821416     -7.658575      3.539849
  H      -5.448339     -5.950811      1.015930
  H      -4.708676     -7.548781      1.320201
  H      -3.083002     -3.111975      0.641731
  H      -4.704549     -3.823400      0.686744
  H      -2.101162     -4.978451      1.812227
  H      -3.046665     -5.671233      0.467810
  C      -3.826790     -1.782823      2.701796
  C      -3.343489     -1.223403      3.904507
  C      -3.315517      0.155309      4.104731
  C      -3.767132      0.987246      3.092902
  F      -3.741934      2.331936      3.285798
  C      -4.231496      0.483971      1.870621
  C      -4.777614      1.346171      0.809594
  O      -5.182509      0.937555     -0.273680
  C      -4.967397      2.858646      1.037334
  O      -4.284107      3.686974      0.488364
  C      -6.148263      3.201745      1.982139
  O      -6.806994      2.363301      2.524803
  Cl     -6.372227      4.938926      2.224888
  C      -4.246610     -0.907718      1.685660
  C      -7.542956     -5.402144      4.263674
  C      -8.141317     -6.338253      5.126024
  C      -9.093754     -5.910661      6.056185
  C      -9.385488     -4.555524      6.178754
  F     -10.157931     -4.148655      7.209644
  C      -8.822167     -3.610088      5.307227
  C      -8.788202     -2.150648      5.578382
  O      -9.739364     -1.472632      5.922243
  C      -7.377597     -1.452855      5.544577
  O      -5.775550     -3.255978      6.465201
  C      -6.915489     -1.280395      7.008127
  O      -7.493066     -1.515237      8.016774
  Cl     -5.337819     -0.270254      7.054468
  C      -8.021992     -4.094800      4.271528
  C      -3.374243     -5.407767      6.450428
  C      -2.176932     -5.215864      7.171065
  C      -2.166331     -5.223445      8.564972
  C      -3.361217     -5.421163      9.243121
  F      -3.351684     -5.396710     10.600254
  C      -4.567505     -5.639480      8.569512
  C      -5.854745     -5.842691      9.248363
  O      -6.923119     -6.014424      8.671229
  C      -5.935279     -6.000971     10.774302
  O      -5.841004     -7.073967     11.318894
  C      -6.315126     -4.689889     11.505426
  O      -6.258731     -3.619948     10.977099
  Cl     -6.629143     -4.920592     13.238213
  C      -4.551454     -5.641455      7.165002
  H      -3.005767     -1.893340      4.697633
  H      -2.950734      0.587229      5.035784
  H      -4.650889     -1.284657      0.746531
  H      -7.811656     -7.378365      5.139364
  H      -9.528469     -6.611429      6.769125
  H      -7.644611     -3.396829      3.536682
  H      -1.247849     -5.029523      6.630756
  H      -1.249856     -5.059040      9.131712
  H      -5.491869     -5.832418      6.647382
  N      -5.619014     -3.144405      5.219463
  N      -6.364282     -1.984222      4.652062
  H      -5.647571     -1.272725      4.466885
  H      -7.565581     -0.426060      5.185458
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591411869885
  N      -3.950191     -3.173272      2.581134
  C      -3.757780     -3.750128      1.242077
  C      -3.120579     -5.117518      1.416669
  N      -3.893279     -5.903952      2.417942
  C      -5.043177     -6.614597      1.795809
  C      -6.119553     -6.856499      2.842479
  N      -6.347864     -5.589222      3.538508
  Mo     -4.764201     -4.416730      3.935559
  N      -3.405044     -5.340268      5.042181
  C      -2.348758     -6.057303      4.311898
  C      -3.013787     -6.829355      3.180999
  H      -1.831714     -6.764115      4.979083
  H      -1.585411     -5.363367      3.918255
  H      -3.643135     -7.618365      3.614948
  H      -2.275451     -7.300198      2.509245
  H      -7.044283     -7.193864      2.345499
  H      -5.820612     -7.661166      3.540343
  H      -5.449595     -5.955900      1.014397
  H      -4.708125     -7.552667      1.320633
  H      -3.089827     -3.112301      0.640273
  H      -4.710172     -3.826305      0.686574
  H      -2.104442     -4.977660      1.810011
  H      -3.049734     -5.671856      0.466158
  C      -3.828837     -1.785797      2.703564
  C      -3.345819     -1.229465      3.907826
  C      -3.316111      0.148802      4.110810
  C      -3.765323      0.983435      3.100265
  F      -3.738190      2.327778      3.295776
  C      -4.228945      0.483442      1.876351
  C      -4.771165      1.348792      0.815817
  O      -5.174426      0.943128     -0.269153
  C      -4.958400      2.861052      1.047187
  O      -4.273525      3.689170      0.499802
  C      -6.137796      3.204214      1.993618
  O      -6.799827      2.365820      2.532308
  Cl     -6.354880      4.941098      2.244755
  C      -4.246208     -0.907843      1.688688
  C      -7.546382     -5.405821      4.260323
  C      -8.143363     -6.340969      5.124747
  C      -9.095983     -5.913013      6.054446
  C      -9.389138     -4.558019      6.174447
  F     -10.161617     -4.149880      7.204983
  C      -8.827138     -3.613680      5.301010
  C      -8.794561     -2.153749      5.570669
  O      -9.747168     -1.475504      5.910228
  C      -7.383762     -1.456324      5.540861
  O      -5.786255     -3.262277      6.463936
  C      -6.924119     -1.285084      7.005439
  O      -7.504680     -1.519282      8.012605
  Cl     -5.345286     -0.278011      7.055212
  C      -8.026957     -4.098867      4.265585
  C      -3.372041     -5.404508      6.448955
  C      -2.174283     -5.209341      7.167865
  C      -2.162097     -5.214665      8.561831
  C      -3.355875     -5.413293      9.241706
  F      -3.344903     -5.386324     10.598788
  C      -4.562432     -5.635292      8.569920
  C      -5.848770     -5.840175      9.249947
  O      -6.916486     -6.018484      8.673487
  C      -5.928729     -5.991423     10.776627
  O      -5.833232     -7.061546     11.326607
  C      -6.309711     -4.677071     11.501322
  O      -6.254960     -3.609809     10.967497
  Cl     -6.621475     -4.899249     13.235663
  C      -4.547839     -5.639843      7.165417
  H      -3.009618     -1.901555      4.699783
  H      -2.951551      0.578446      5.043009
  H      -4.649770     -1.282340      0.748271
  H      -7.812227     -7.380604      5.139639
  H      -9.529694     -6.612882      6.768894
  H      -7.649814     -3.401761      3.529887
  H      -1.246126     -5.022155      6.626247
  H      -1.245267     -5.047753      9.127250
  H      -5.488264     -5.834612      6.649225
  N      -5.625782     -3.148683      5.218682
  N      -6.369617     -1.988421      4.650314
  H      -5.652358     -1.277431      4.464979
  H      -7.569720     -0.429112      5.181457
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591415551618
  N      -3.952767     -3.174496      2.582220
  C      -3.759424     -3.750167      1.242833
  C      -3.121918     -5.117482      1.416605
  N      -3.894537     -5.904838      2.417143
  C      -5.043904     -6.615638      1.794315
  C      -6.120863     -6.858041      2.840268
  N      -6.350236     -5.590752      3.535961
  Mo     -4.766885     -4.418534      3.935971
  N      -3.405368     -5.340511      5.041355
  C      -2.349361     -6.057353      4.310441
  C      -3.014854     -6.829907      3.180232
  H      -1.831557     -6.763786      4.977443
  H      -1.586450     -5.363309      3.916135
  H      -3.644127     -7.618606      3.614880
  H      -2.276742     -7.301211      2.508523
  H      -7.045153     -7.195891      2.342800
  H      -5.821968     -7.662579      3.538304
  H      -5.450005     -5.956820      1.012828
  H      -4.708470     -7.553548      1.319079
  H      -3.091360     -3.111625      0.641928
  H      -4.711536     -3.826048      0.686802
  H      -2.105945     -4.977412      1.810283
  H      -3.050513     -5.671177      0.465762
  C      -3.829716     -1.787325      2.706474
  C      -3.347404     -1.232668      3.911682
  C      -3.316060      0.145418      4.115704
  C      -3.763040      0.981419      3.105401
  F      -3.733757      2.325626      3.301887
  C      -4.226235      0.483078      1.880587
  C      -4.766144      1.349937      0.819997
  O      -5.167040      0.945692     -0.266336
  C      -4.954110      2.861833      1.053784
  O      -4.268741      3.691005      0.508611
  C      -6.134737      3.202937      1.999367
  O      -6.798604      2.363297      2.533880
  Cl     -6.350472      4.939089      2.256409
  C      -4.245062     -0.908030      1.691801
  C      -7.549094     -5.407868      4.257482
  C      -8.145709     -6.342571      5.122568
  C      -9.098775     -5.914502      6.051781
  C      -9.392699     -4.559601      6.170600
  F     -10.165599     -4.150923      7.200672
  C      -8.830902     -3.615727      5.296569
  C      -8.798723     -2.155684      5.566088
  O      -9.751980     -1.477327      5.903601
  C      -7.387605     -1.458751      5.539054
  O      -5.793993     -3.267065      6.463615
  C      -6.929703     -1.288459      7.004346
  O      -7.512061     -1.521833      8.010652
  Cl     -5.349198     -0.284028      7.056325
  C      -8.030334     -4.101026      4.261480
  C      -3.370166     -5.403596      6.448105
  C      -2.171805     -5.206555      7.165483
  C      -2.158174     -5.210459      8.559462
  C      -3.351094     -5.409174      9.240911
  F      -3.338738     -5.380431     10.597935
  C      -4.558110     -5.633117      8.570696
  C      -5.843962     -5.838847      9.251463
  O      -6.910995     -6.022457      8.675340
  C      -5.924040     -5.983519     10.778736
  O      -5.828951     -7.051014     11.333825
  C      -6.304371     -4.665498     11.497219
  O      -6.249115     -3.600926     10.958054
  Cl     -6.615174     -4.878997     13.232717
  C      -4.544847     -5.639430      7.166195
  H      -3.013123     -1.905857      4.703521
  H      -2.951824      0.573982      5.048532
  H      -4.648345     -1.281135      0.750727
  H      -7.813910     -7.381992      5.138135
  H      -9.532289     -6.614156      6.766572
  H      -7.653027     -3.404272      3.525491
  H      -1.244433     -5.018867      6.622691
  H      -1.240915     -5.042164      9.123775
  H      -5.485718     -5.835873      6.651451
  N      -5.630490     -3.151831      5.218776
  N      -6.373050     -1.991366      4.649842
  H      -5.655213     -1.280858      4.464693
  H      -7.571904     -0.431151      5.179511
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591418391431
  N      -3.955024     -3.175016      2.584424
  C      -3.760111     -3.749085      1.244567
  C      -3.122483     -5.116465      1.417347
  N      -3.895477     -5.905186      2.416408
  C      -5.044240     -6.615488      1.792049
  C      -6.122176     -6.858959      2.836743
  N      -6.352473     -5.592142      3.533012
  Mo     -4.769329     -4.420475      3.936479
  N      -3.406148     -5.341746      5.040746
  C      -2.350322     -6.058581      4.309496
  C      -3.016093     -6.830624      3.179176
  H      -1.832557     -6.765234      4.976285
  H      -1.587267     -5.364526      3.915442
  H      -3.645764     -7.618991      3.613893
  H      -2.278309     -7.302369      2.507398
  H      -7.045923     -7.196556      2.338079
  H      -5.823904     -7.664021      3.534441
  H      -5.449804     -5.955929      1.010903
  H      -4.708408     -7.552902      1.316106
  H      -3.091368     -3.109761      0.645259
  H      -4.711603     -3.824288      0.687379
  H      -2.106842     -4.976450      1.811905
  H      -3.050061     -5.669040      0.465919
  C      -3.831683     -1.787818      2.710017
  C      -3.350644     -1.233809      3.915935
  C      -3.317814      0.144259      4.119841
  C      -3.762232      0.980715      3.108810
  F      -3.731553      2.324909      3.305265
  C      -4.224608      0.482882      1.883485
  C      -4.762399      1.350370      0.822309
  O      -5.162708      0.946601     -0.264357
  C      -4.948579      2.862555      1.056427
  O      -4.263316      3.691280      0.510513
  C      -6.127335      3.204288      2.004159
  O      -6.791159      2.364800      2.539074
  Cl     -6.341068      4.940378      2.262782
  C      -4.244984     -0.908215      1.694772
  C      -7.551474     -5.410584      4.254780
  C      -8.147350     -6.345550      5.119925
  C      -9.100875     -5.918079      6.049033
  C      -9.395922     -4.563396      6.167619
  F     -10.169289     -4.155117      7.197457
  C      -8.834653     -3.619169      5.293540
  C      -8.802989     -2.159228      5.564182
  O      -9.756534     -1.481481      5.901938
  C      -7.391865     -1.462061      5.538327
  O      -5.800326     -3.271307      6.463601
  C      -6.934908     -1.291727      7.003848
  O      -7.517784     -1.524149      8.009997
  Cl     -5.353275     -0.288269      7.056332
  C      -8.033672     -4.103970      4.258540
  C      -3.368903     -5.403591      6.447500
  C      -2.169830     -5.205132      7.163325
  C      -2.154760     -5.207767      8.557294
  C      -3.346848     -5.406289      9.240342
  F      -3.332975     -5.376310     10.597303
  C      -4.554468     -5.631492      8.571660
  C      -5.839854     -5.837290      9.253373
  O      -6.906579     -6.024830      8.677930
  C      -5.919804     -5.975560     10.781234
  O      -5.826001     -7.040614     11.341145
  C      -6.298085     -4.653674     11.493884
  O      -6.241430     -3.591743     10.949577
  Cl     -6.609414     -4.858703     13.230127
  C      -4.542578     -5.639312      7.167175
  H      -3.018661     -1.907384      4.708409
  H      -2.954425      0.572504      5.053149
  H      -4.647925     -1.280692      0.753319
  H      -7.814690     -7.384700      5.135624
  H      -9.533981     -6.618162      6.763665
  H      -7.656489     -3.407152      3.522533
  H      -1.243187     -5.017233      6.619364
  H      -1.236975     -5.038559      9.120492
  H      -5.484152     -5.836346      6.653938
  N      -5.635006     -3.154978      5.219039
  N      -6.377010     -1.994800      4.649861
  H      -5.659041     -1.284432      4.464714
  H      -7.575469     -0.434384      5.178463
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591420442360
  N      -3.954448     -3.174899      2.586912
  C      -3.758466     -3.747798      1.246640
  C      -3.121686     -5.115707      1.418595
  N      -3.895678     -5.905215      2.416168
  C      -5.044424     -6.614023      1.790181
  C      -6.123488     -6.857934      2.833606
  N      -6.353457     -5.591629      3.530939
  Mo     -4.769690     -4.421564      3.936913
  N      -3.406552     -5.343826      5.040567
  C      -2.351119     -6.061373      4.309473
  C      -3.017393     -6.831950      3.178448
  H      -1.834517     -6.768967      4.976158
  H      -1.587055     -5.367881      3.916339
  H      -3.648113     -7.619730      3.612769
  H      -2.280205     -7.304348      2.506481
  H      -7.047007     -7.194146      2.333555
  H      -5.826704     -7.664062      3.530703
  H      -5.449100     -5.953272      1.009574
  H      -4.708889     -7.551054      1.313273
  H      -3.088455     -3.108332      0.648888
  H      -4.709316     -3.821667      0.688195
  H      -2.106247     -4.976530      1.813975
  H      -3.048697     -5.667231      0.466592
  C      -3.831679     -1.787470      2.712774
  C      -3.351834     -1.233158      3.918936
  C      -3.318340      0.145039      4.122021
  C      -3.761259      0.981129      3.110004
  F      -3.729729      2.325410      3.305625
  C      -4.223107      0.482797      1.884672
  C      -4.760674      1.349817      0.822961
  O      -5.159554      0.945569     -0.264029
  C      -4.949015      2.861883      1.056759
  O      -4.264582      3.691664      0.511487
  C      -6.129396      3.201956      2.003182
  O      -6.792416      2.361420      2.537505
  Cl     -6.346450      4.937665      2.261092
  C      -4.243912     -0.908389      1.696694
  C      -7.552312     -5.410710      4.253283
  C      -8.148004     -6.346123      5.117940
  C      -9.101632     -5.919068      6.047224
  C      -9.396881     -4.564461      6.166492
  F     -10.170399     -4.156838      7.196371
  C      -8.835600     -3.619644      5.292944
  C      -8.803533     -2.160012      5.565133
  O      -9.756700     -1.482614      5.904489
  C      -7.392335     -1.463010      5.538981
  O      -5.801141     -3.272328      6.464002
  C      -6.935410     -1.292494      7.004386
  O      -7.517754     -1.524572      8.010828
  Cl     -5.353146     -0.288893      7.056517
  C      -8.034530     -4.104096      4.257772
  C      -3.368657     -5.404826      6.447380
  C      -2.169284     -5.206088      7.162696
  C      -2.153861     -5.208114      8.556634
  C      -3.345746     -5.406216      9.240216
  F      -3.331360     -5.375920     10.597156
  C      -4.553606     -5.631508      8.571994
  C      -5.839021     -5.836883      9.253910
  O      -6.905565     -6.025768      8.678621
  C      -5.919003     -5.972168     10.782072
  O      -5.827217     -7.036230     11.344147
  C      -6.294120     -4.647935     11.492177
  O      -6.235195     -3.587338     10.945407
  Cl     -6.605541     -4.848469     13.228764
  C      -4.542105     -5.639979      7.167503
  H      -3.021551     -1.906413      4.712391
  H      -2.955693      0.573631      5.055452
  H      -4.646766     -1.281054      0.755297
  H      -7.815247     -7.385237      5.133345
  H      -9.534664     -6.619742      6.761324
  H      -7.657368     -3.407060      3.521889
  H      -1.242810     -5.018516      6.618343
  H      -1.235904     -5.038824      9.119536
  H      -5.484067     -5.836681      6.654867
  N      -5.635877     -3.156107      5.219466
  N      -6.377665     -1.996046      4.650403
  H      -5.659622     -1.285819      4.465123
  H      -7.575674     -0.435370      5.178941
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591422859583
  N      -3.954293     -3.174644      2.588792
  C      -3.757799     -3.746853      1.248186
  C      -3.121298     -5.115029      1.419507
  N      -3.895749     -5.905229      2.416134
  C      -5.044381     -6.613229      1.789004
  C      -6.124311     -6.857411      2.831481
  N      -6.354001     -5.591420      3.529491
  Mo     -4.769798     -4.422584      3.936981
  N      -3.406830     -5.345344      5.040338
  C      -2.351556     -6.063437      4.309659
  C      -3.018039     -6.832845      3.177926
  H      -1.836100     -6.771833      4.976377
  H      -1.586607     -5.370376      3.917447
  H      -3.649363     -7.620411      3.611809
  H      -2.281250     -7.305448      2.505680
  H      -7.047610     -7.192591      2.330305
  H      -5.828699     -7.664257      3.528234
  H      -5.448515     -5.951810      1.008681
  H      -4.708832     -7.549975      1.311559
  H      -3.087089     -3.107274      0.651328
  H      -4.708295     -3.820030      0.689081
  H      -2.105937     -4.976326      1.815262
  H      -3.048048     -5.665769      0.467068
  C      -3.831986     -1.786984      2.714509
  C      -3.353025     -1.232251      3.920805
  C      -3.318931      0.146069      4.123058
  C      -3.760664      0.981736      3.110125
  F      -3.728666      2.326109      3.304849
  C      -4.222064      0.482828      1.884903
  C      -4.759476      1.349454      0.822826
  O      -5.158102      0.944803     -0.264109
  C      -4.948560      2.861580      1.055873
  O      -4.265096      3.691671      0.509929
  C      -6.128697      3.201397      2.002845
  O      -6.790351      2.360687      2.538619
  Cl     -6.347581      4.937101      2.258874
  C      -4.243326     -0.908447      1.697680
  C      -7.552653     -5.410837      4.252376
  C      -8.147616     -6.346681      5.117032
  C      -9.101166     -5.920073      6.046641
  C      -9.396924     -4.565578      6.166292
  F     -10.170307     -4.158585      7.196430
  C      -8.836211     -3.620203      5.292880
  C      -8.804063     -2.160821      5.566313
  O      -9.756899     -1.483862      5.907336
  C      -7.392933     -1.463836      5.539445
  O      -5.801761     -3.273108      6.463890
  C      -6.935897     -1.293183      7.004643
  O      -7.517580     -1.525191      8.011408
  Cl     -5.353245     -0.289233      7.056452
  C      -8.035229     -4.104399      4.257415
  C      -3.368961     -5.405264      6.447249
  C      -2.169623     -5.205801      7.162468
  C      -2.154327     -5.207124      8.556379
  C      -3.346150     -5.405394      9.240032
  F      -3.331706     -5.374924     10.596978
  C      -4.553943     -5.631230      8.571861
  C      -5.839336     -5.836571      9.253932
  O      -6.905841     -6.025950      8.678817
  C      -5.918760     -5.970843     10.782319
  O      -5.828672     -7.034751     11.344920
  C      -6.290770     -4.645460     11.492002
  O      -6.230585     -3.585366     10.944324
  Cl     -6.601219     -4.844165     13.228870
  C      -4.542398     -5.640322      7.167359
  H      -3.024084     -1.905134      4.715133
  H      -2.956880      0.574985      5.056562
  H      -4.646135     -1.281421      0.756399
  H      -7.814437     -7.385650      5.132455
  H      -9.533638     -6.621176      6.760657
  H      -7.658640     -3.407282      3.521276
  H      -1.243164     -5.018440      6.618025
  H      -1.236446     -5.037400      9.119286
  H      -5.484363     -5.837330      6.654857
  N      -5.636545     -3.156990      5.219402
  N      -6.378403     -1.997135      4.650575
  H      -5.660461     -1.286940      4.464963
  H      -7.576325     -0.436304      5.179275
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591424732605
  N      -3.954663     -3.174643      2.589842
  C      -3.758190     -3.746595      1.248997
  C      -3.121496     -5.114782      1.419818
  N      -3.895919     -5.905514      2.416072
  C      -5.044408     -6.613386      1.788395
  C      -6.124866     -6.857552      2.830355
  N      -6.354385     -5.591586      3.528493
  Mo     -4.769885     -4.423695      3.936766
  N      -3.406836     -5.346320      5.039896
  C      -2.351643     -6.064753      4.309598
  C      -3.018235     -6.833532      3.177448
  H      -1.836972     -6.773661      4.976394
  H      -1.586123     -5.372012      3.917919
  H      -3.649659     -7.621193      3.611043
  H      -2.281644     -7.305957      2.504874
  H      -7.047997     -7.192258      2.328542
  H      -5.829915     -7.664639      3.527095
  H      -5.448274     -5.951854      1.008031
  H      -4.708639     -7.550036      1.310940
  H      -3.087449     -3.106879      0.652317
  H      -4.708667     -3.819701      0.689885
  H      -2.106098     -4.976207      1.815526
  H      -3.048306     -5.665051      0.467102
  C      -3.832074     -1.786953      2.715494
  C      -3.353681     -1.232289      3.922057
  C      -3.319065      0.146049      4.124167
  C      -3.759857      0.981769      3.110848
  F      -3.727337      2.326164      3.305249
  C      -4.220882      0.482873      1.885514
  C      -4.757833      1.349647      0.823349
  O      -5.155801      0.945158     -0.263916
  C      -4.947970      2.861621      1.056459
  O      -4.265252      3.692288      0.510479
  C      -6.128215      3.200739      2.003663
  O      -6.789324      2.359724      2.539610
  Cl     -6.348021      4.936327      2.259579
  C      -4.242613     -0.908402      1.698389
  C      -7.552899     -5.410801      4.251641
  C      -8.146886     -6.346751      5.116927
  C      -9.100220     -5.920335      6.046806
  C      -9.396531     -4.565920      6.166217
  F     -10.169538     -4.159110      7.196693
  C      -8.836677     -3.620396      5.292395
  C      -8.804551     -2.161100      5.566354
  O      -9.757247     -1.484262      5.907984
  C      -7.393366     -1.464421      5.539254
  O      -5.803031     -3.274348      6.463292
  C      -6.936433     -1.294119      7.004415
  O      -7.517987     -1.526176      8.011220
  Cl     -5.353318     -0.290494      7.056562
  C      -8.035980     -4.104602      4.256617
  C      -3.369294     -5.405013      6.446908
  C      -2.170214     -5.204362      7.162223
  C      -2.155268     -5.204681      8.556126
  C      -3.347115     -5.403346      9.239608
  F      -3.332914     -5.372322     10.596576
  C      -4.554621     -5.630333      8.571341
  C      -5.839931     -5.836049      9.253543
  O      -6.906309     -6.026200      8.678539
  C      -5.918488     -5.969843     10.782159
  O      -5.829211     -7.033783     11.344812
  C      -6.288453     -4.643986     11.492031
  O      -6.228692     -3.584134     10.943839
  Cl     -6.595912     -4.841782     13.229513
  C      -4.542792     -5.640378      7.166827
  H      -3.025694     -1.905169      4.716775
  H      -2.957383      0.574838      5.057864
  H      -4.645297     -1.281340      0.757045
  H      -7.813143     -7.385521      5.132758
  H      -9.531889     -6.621454      6.761287
  H      -7.660301     -3.407642      3.519867
  H      -1.243719     -5.017096      6.617812
  H      -1.237629     -5.034082      9.119170
  H      -5.484425     -5.838579      6.654190
  N      -5.637225     -3.158006      5.218967
  N      -6.378938     -1.998166      4.650260
  H      -5.661010     -1.288098      4.464262
  H      -7.576497     -0.436895      5.179080
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591426471733
  N      -3.955698     -3.174841      2.590362
  C      -3.759336     -3.746761      1.249365
  C      -3.122051     -5.114722      1.419805
  N      -3.896257     -5.905991      2.415885
  C      -5.044512     -6.614133      1.787847
  C      -6.125331     -6.858226      2.829478
  N      -6.354911     -5.592188      3.527498
  Mo     -4.770238     -4.425065      3.936373
  N      -3.406869     -5.347125      5.039262
  C      -2.351699     -6.065721      4.309297
  C      -3.018279     -6.834183      3.176868
  H      -1.837552     -6.774959      4.976169
  H      -1.585811     -5.373227      3.917896
  H      -3.649485     -7.622198      3.610138
  H      -2.281667     -7.306074      2.503951
  H      -7.048279     -7.192903      2.327314
  H      -5.830606     -7.665274      3.526352
  H      -5.448167     -5.952782      1.007227
  H      -4.708323     -7.550781      1.310716
  H      -3.089052     -3.106778      0.652465
  H      -4.709959     -3.820309      0.690584
  H      -2.106649     -4.975994      1.815442
  H      -3.048900     -5.664675      0.466908
  C      -3.832365     -1.787294      2.716134
  C      -3.354232     -1.233106      3.923061
  C      -3.319038      0.145158      4.125549
  C      -3.759028      0.981335      3.112270
  F      -3.725869      2.325701      3.306844
  C      -4.219763      0.482955      1.886647
  C      -4.755713      1.350337      0.824503
  O      -5.152863      0.946463     -0.263322
  C      -4.946326      2.862113      1.058281
  O      -4.264121      3.693218      0.512312
  C      -6.126268      3.200692      2.006136
  O      -6.787492      2.359518      2.541647
  Cl     -6.345464      4.936180      2.263428
  C      -4.242085     -0.908255      1.699112
  C      -7.553341     -5.411067      4.250708
  C      -8.146018     -6.346981      5.117087
  C      -9.099025     -5.920805      6.047313
  C      -9.396100     -4.566505      6.166105
  F     -10.168498     -4.159642      7.197068
  C      -8.837516     -3.621073      5.291430
  C      -8.805660     -2.161761      5.565487
  O      -9.758398     -1.484946      5.907081
  C      -7.394361     -1.465441      5.538616
  O      -5.805129     -3.276212      6.462430
  C      -6.937645     -1.295830      7.003874
  O      -7.519462     -1.528057      8.010505
  Cl     -5.354184     -0.292867      7.056751
  C      -8.037261     -4.105221      4.255203
  C      -3.369612     -5.404333      6.446366
  C      -2.170863     -5.201921      7.161688
  C      -2.156201     -5.200725      8.555599
  C      -3.348028     -5.399853      9.238950
  F      -3.334117     -5.367490     10.595941
  C      -4.555175     -5.628720      8.570725
  C      -5.840306     -5.835029      9.253178
  O      -6.906489     -6.026408      8.678315
  C      -5.917804     -5.968064     10.782063
  O      -5.828865     -7.031937     11.344894
  C      -6.286276     -4.641826     11.491943
  O      -6.228128     -3.582294     10.943004
  Cl     -6.589464     -4.838576     13.230345
  C      -4.543070     -5.640271      7.166214
  H      -3.026864     -1.906322      4.717748
  H      -2.957489      0.573455      5.059523
  H      -4.644499     -1.280814      0.757508
  H      -7.811479     -7.385484      5.133415
  H      -9.529619     -6.621708      6.762652
  H      -7.662939     -3.408430      3.517630
  H      -1.244412     -5.014627      6.617207
  H      -1.238857     -5.028718      9.118693
  H      -5.484192     -5.840489      6.653422
  N      -5.638362     -3.159410      5.218301
  N      -6.380028     -1.999604      4.649617
  H      -5.662166     -1.289627      4.463109
  H      -7.577058     -0.437822      5.178533
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591428043944
  N      -3.956472     -3.174985      2.590391
  C      -3.759875     -3.747051      1.249415
  C      -3.122140     -5.114749      1.419846
  N      -3.896483     -5.906321      2.415675
  C      -5.044619     -6.614515      1.787244
  C      -6.125665     -6.858574      2.828668
  N      -6.355301     -5.592571      3.526775
  Mo     -4.770463     -4.426040      3.936047
  N      -3.407112     -5.347951      5.038893
  C      -2.351989     -6.066713      4.309158
  C      -3.018446     -6.834834      3.176400
  H      -1.838271     -6.776256      4.976057
  H      -1.585742     -5.374502      3.917959
  H      -3.649544     -7.623208      3.609142
  H      -2.281627     -7.306132      2.503297
  H      -7.048521     -7.193290      2.326378
  H      -5.830922     -7.665626      3.525532
  H      -5.447943     -5.953214      1.006421
  H      -4.708181     -7.551195      1.310381
  H      -3.090036     -3.106839      0.652271
  H      -4.710565     -3.821147      0.690814
  H      -2.106902     -4.975845      1.815830
  H      -3.048699     -5.664586      0.466909
  C      -3.832554     -1.787643      2.716325
  C      -3.354432     -1.233870      3.923487
  C      -3.319094      0.144298      4.126498
  C      -3.758857      0.980907      3.113521
  F      -3.725474      2.325232      3.308508
  C      -4.219423      0.483049      1.887620
  C      -4.754458      1.350964      0.825466
  O      -5.150710      0.947662     -0.262917
  C      -4.945215      2.862566      1.060028
  O      -4.263101      3.693905      0.514268
  C      -6.125011      3.200772      2.008196
  O      -6.786950      2.359525      2.542661
  Cl     -6.342969      4.936191      2.267445
  C      -4.241956     -0.908088      1.699572
  C      -7.553683     -5.411226      4.249952
  C      -8.145364     -6.347064      5.117232
  C      -9.098052     -5.921149      6.047804
  C      -9.395656     -4.566932      6.166121
  F     -10.167471     -4.159926      7.197544
  C      -8.838121     -3.621695      5.290671
  C      -8.806471     -2.162281      5.564576
  O      -9.759252     -1.485368      5.905899
  C      -7.395020     -1.466204      5.537876
  O      -5.806483     -3.277516      6.461673
  C      -6.938226     -1.296975      7.003204
  O      -7.520310     -1.529211      8.009721
  Cl     -5.354724     -0.294574      7.056263
  C      -8.038320     -4.105635      4.253995
  C      -3.369985     -5.404056      6.446046
  C      -2.171414     -5.200363      7.161239
  C      -2.156761     -5.197832      8.555169
  C      -3.348552     -5.397020      9.238530
  F      -3.334770     -5.363286     10.595542
  C      -4.555514     -5.627360      8.570526
  C      -5.840439     -5.834043      9.253329
  O      -6.906515     -6.026397      8.678653
  C      -5.916991     -5.966491     10.782390
  O      -5.827466     -7.030270     11.345321
  C      -6.285352     -4.640275     11.492274
  O      -6.229607     -3.580936     10.942796
  Cl     -6.584604     -4.836574     13.231508
  C      -4.543344     -5.640265      7.166032
  H      -3.027057     -1.907430      4.717875
  H      -2.957510      0.572161      5.060662
  H      -4.644008     -1.280315      0.757677
  H      -7.810243     -7.385381      5.133717
  H      -9.527858     -6.621802      6.763858
  H      -7.665244     -3.408792      3.515894
  H      -1.245055     -5.013145      6.616564
  H      -1.239564     -5.024767      9.118168
  H      -5.484102     -5.842096      6.653194
  N      -5.639096     -3.160406      5.217684
  N      -6.380834     -2.000619      4.648885
  H      -5.663094     -1.290648      4.461944
  H      -7.577366     -0.438514      5.177857
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591430240246
  N      -3.956763     -3.174975      2.590159
  C      -3.759324     -3.747320      1.249395
  C      -3.121400     -5.114774      1.420261
  N      -3.896551     -5.906471      2.415471
  C      -5.044712     -6.614130      1.786245
  C      -6.126086     -6.858208      2.827329
  N      -6.355627     -5.592474      3.526007
  Mo     -4.770455     -4.426752      3.935782
  N      -3.407769     -5.349303      5.038851
  C      -2.352781     -6.068472      4.309409
  C      -3.019004     -6.835828      3.175993
  H      -1.839785     -6.778541      4.976324
  H      -1.585849     -5.376784      3.918620
  H      -3.650370     -7.624507      3.607722
  H      -2.281813     -7.306486      2.502854
  H      -7.048927     -7.192709      2.324892
  H      -5.831379     -7.665564      3.523875
  H      -5.447311     -5.952509      1.005332
  H      -4.708301     -7.550849      1.309465
  H      -3.089722     -3.106934      0.652184
  H      -4.709860     -3.821959      0.690568
  H      -2.106608     -4.975757      1.817338
  H      -3.047078     -5.664617      0.467401
  C      -3.832605     -1.787853      2.716213
  C      -3.354297     -1.234263      3.923415
  C      -3.319158      0.143821      4.126854
  C      -3.759245      0.980690      3.114304
  F      -3.725992      2.324994      3.309733
  C      -4.219802      0.483181      1.888229
  C      -4.754144      1.351383      0.825958
  O      -5.149480      0.948441     -0.262888
  C      -4.944898      2.862837      1.061364
  O      -4.262773      3.694302      0.515762
  C      -6.124425      3.200680      2.009924
  O      -6.787253      2.359358      2.543123
  Cl     -6.340769      4.936037      2.271657
  C      -4.242153     -0.907905      1.699768
  C      -7.553967     -5.411079      4.249133
  C      -8.144773     -6.346861      5.117185
  C      -9.097094     -5.921384      6.048222
  C      -9.395129     -4.567246      6.166288
  F     -10.166271     -4.160098      7.198250
  C      -8.838632     -3.622248      5.290085
  C      -8.807095     -2.162703      5.563751
  O      -9.759832     -1.485553      5.904734
  C      -7.395408     -1.466867      5.537212
  O      -5.807482     -3.278633      6.460953
  C      -6.938233     -1.297977      7.002615
  O      -7.520619     -1.530118      8.009037
  Cl     -5.354767     -0.296316      7.055543
  C      -8.039331     -4.105703      4.252805
  C      -3.370600     -5.404406      6.446035
  C      -2.172065     -5.199485      7.160874
  C      -2.157114     -5.195489      8.554821
  C      -3.348805     -5.394470      9.238399
  F      -3.334981     -5.358956     10.595428
  C      -4.555733     -5.626241      8.570881
  C      -5.840419     -5.833162      9.254161
  O      -6.906447     -6.026328      8.679717
  C      -5.916023     -5.965145     10.783320
  O      -5.825312     -7.028853     11.346225
  C      -6.285050     -4.639219     11.493263
  O      -6.232403     -3.579982     10.943389
  Cl     -6.580301     -4.835531     13.233333
  C      -4.543735     -5.640632      7.166422
  H      -3.026402     -1.908070      4.717377
  H      -2.957364      0.571449      5.061050
  H      -4.643761     -1.279951      0.757602
  H      -7.809127     -7.385025      5.133411
  H      -9.526251     -6.621827      6.764870
  H      -7.667719     -3.408444      3.514386
  H      -1.245917     -5.012397      6.615779
  H      -1.239953     -5.021390      9.117541
  H      -5.484263     -5.843867      6.653698
  N      -5.639555     -3.161139      5.217091
  N      -6.381518     -2.001377      4.648138
  H      -5.663939     -1.291361      4.460772
  H      -7.577362     -0.439047      5.177359
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591433279998
  N      -3.956263     -3.174803      2.589985
  C      -3.757331     -3.747275      1.249533
  C      -3.119709     -5.114677      1.421135
  N      -3.896390     -5.906377      2.415217
  C      -5.044759     -6.612662      1.784684
  C      -6.126717     -6.856847      2.825129
  N      -6.355893     -5.591650      3.524949
  Mo     -4.770157     -4.427113      3.935681
  N      -3.408896     -5.351384      5.039203
  C      -2.354140     -6.071256      4.310097
  C      -3.020079     -6.837194      3.175574
  H      -1.842303     -6.782190      4.976994
  H      -1.586089     -5.380319      3.920143
  H      -3.652296     -7.625947      3.605864
  H      -2.282505     -7.307445      2.502577
  H      -7.049613     -7.190576      2.322298
  H      -5.832453     -7.664985      3.520987
  H      -5.446235     -5.950173      1.003940
  H      -4.708791     -7.549359      1.307553
  H      -3.087407     -3.106815      0.652771
  H      -4.707365     -3.822061      0.689819
  H      -2.105617     -4.975737      1.820026
  H      -3.043899     -5.664526      0.468394
  C      -3.832442     -1.787800      2.716177
  C      -3.354156     -1.234020      3.923292
  C      -3.319593      0.144048      4.126824
  C      -3.760213      0.980822      3.114500
  F      -3.727449      2.325144      3.310149
  C      -4.220686      0.483269      1.888361
  C      -4.754835      1.351298      0.825804
  O      -5.149261      0.948262     -0.263300
  C      -4.945930      2.862652      1.061832
  O      -4.263977      3.694308      0.516278
  C      -6.125199      3.199900      2.010797
  O      -6.788540      2.358317      2.542923
  Cl     -6.340658      4.935148      2.274692
  C      -4.242453     -0.907815      1.699852
  C      -7.554173     -5.410487      4.248175
  C      -8.144270     -6.346256      5.116743
  C      -9.096226     -5.921312      6.048312
  C      -9.394558     -4.567228      6.166435
  F     -10.165018     -4.160032      7.198933
  C      -8.838949     -3.622398      5.289660
  C      -8.807232     -2.162762      5.563312
  O      -9.759758     -1.485216      5.904035
  C      -7.395215     -1.467319      5.536980
  O      -5.808326     -3.279844      6.460399
  C      -6.937500     -1.298906      7.002473
  O      -7.520233     -1.530761      8.008806
  Cl     -5.353742     -0.298407      7.055215
  C      -8.040127     -4.105239      4.251686
  C      -3.371340     -5.405674      6.446406
  C      -2.172620     -5.199740      7.160622
  C      -2.157046     -5.194422      8.554577
  C      -3.348526     -5.392977      9.238667
  F      -3.334365     -5.355833     10.595697
  C      -4.555636     -5.625800      8.571890
  C      -5.840101     -5.832689      9.255712
  O      -6.906126     -6.026687      8.681559
  C      -5.915009     -5.963824     10.784912
  O      -5.822857     -7.027253     11.348136
  C      -6.285271     -4.638046     11.494372
  O      -6.235489     -3.579051     10.943850
  Cl     -6.577510     -4.834006     13.235126
  C      -4.544112     -5.641555      7.167467
  H      -3.025693     -1.907829      4.717017
  H      -2.957740      0.571824      5.060935
  H      -4.643605     -1.279970      0.757525
  H      -7.808139     -7.384291      5.132405
  H      -9.524907     -6.621713      6.765288
  H      -7.669926     -3.407274      3.513209
  H      -1.246801     -5.012828      6.614889
  H      -1.239755     -5.019541      9.116825
  H      -5.484714     -5.845456      6.655124
  N      -5.639733     -3.161686      5.216724
  N      -6.381769     -2.001858      4.647696
  H      -5.664225     -1.291894      4.460016
  H      -7.576577     -0.439273      5.177502
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591437473481
  N      -3.954903     -3.174599      2.589838
  C      -3.753848     -3.746941      1.249761
  C      -3.117039     -5.114531      1.422390
  N      -3.895948     -5.906108      2.414811
  C      -5.044673     -6.610152      1.782428
  C      -6.127631     -6.854424      2.821795
  N      -6.356143     -5.589957      3.523186
  Mo     -4.769613     -4.427150      3.935623
  N      -3.410688     -5.354326      5.039915
  C      -2.356184     -6.075188      4.311289
  C      -3.021711     -6.838962      3.175114
  H      -1.846090     -6.787391      4.978165
  H      -1.586507     -5.385205      3.922788
  H      -3.655433     -7.627504      3.603538
  H      -2.283756     -7.309149      2.502500
  H      -7.050600     -7.186703      2.318148
  H      -5.834482     -7.663822      3.516693
  H      -5.444612     -5.946275      1.002077
  H      -4.709589     -7.546777      1.304520
  H      -3.082902     -3.106529      0.654093
  H      -4.702971     -3.821376      0.688397
  H      -2.103882     -4.975828      1.823758
  H      -3.039122     -5.664383      0.469812
  C      -3.832002     -1.787566      2.716248
  C      -3.354082     -1.233290      3.923228
  C      -3.320373      0.144838      4.126504
  C      -3.761556      0.981190      3.114129
  F      -3.729514      2.325567      3.309725
  C      -4.221814      0.483228      1.888031
  C      -4.756463      1.350647      0.825131
  O      -5.150159      0.947069     -0.263964
  C      -4.948522      2.861920      1.061565
  O      -4.267214      3.693991      0.515835
  C      -6.127388      3.198160      2.011232
  O      -6.790315      2.356009      2.542982
  Cl     -6.343237      4.933215      2.276587
  C      -4.242635     -0.907895      1.699815
  C      -7.554301     -5.409298      4.246816
  C      -8.143571     -6.345078      5.115860
  C      -9.095082     -5.920734      6.048084
  C      -9.393744     -4.566702      6.166440
  F     -10.163428     -4.159554      7.199511
  C      -8.839101     -3.621945      5.289130
  C      -8.806948     -2.162291      5.563072
  O      -9.759138     -1.484161      5.903453
  C      -7.394495     -1.467561      5.537303
  O      -5.809504     -3.281610      6.459845
  C      -6.936298     -1.300243      7.002960
  O      -7.519567     -1.531803      8.009074
  Cl     -5.351627     -0.301654      7.056059
  C      -8.040810     -4.104154      4.250319
  C      -3.372361     -5.407768      6.447154
  C      -2.173248     -5.200773      7.160442
  C      -2.156763     -5.194190      8.554381
  C      -3.347859     -5.392315      9.239330
  F      -3.333027     -5.353650     10.596328
  C      -4.555331     -5.626011      8.573554
  C      -5.839578     -5.832557      9.258004
  O      -6.905684     -6.027359      8.684259
  C      -5.914036     -5.962419     10.787209
  O      -5.820781     -7.025390     11.351136
  C      -6.285277     -4.636406     11.495659
  O      -6.236940     -3.577789     10.944327
  Cl     -6.576260     -4.831487     13.236817
  C      -4.544602     -5.643056      7.169157
  H      -3.025244     -1.906864      4.717004
  H      -2.958706      0.573130      5.060457
  H      -4.643383     -1.280426      0.757457
  H      -7.806792     -7.382930      5.130855
  H      -9.523204     -6.621271      6.765261
  H      -7.672032     -3.405312      3.511890
  H      -1.247900     -5.014026      6.613845
  H      -1.239211     -5.018575      9.115960
  H      -5.485579     -5.846971      6.657506
  N      -5.639825     -3.162233      5.216483
  N      -6.381652     -2.002169      4.647628
  H      -5.663906     -1.292475      4.459720
  H      -7.574826     -0.439069      5.178612
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591443552972
  N      -3.952430     -3.174507      2.589651
  C      -3.748648     -3.746348      1.249967
  C      -3.113259     -5.114448      1.423855
  N      -3.895128     -5.905752      2.414036
  C      -5.044371     -6.606592      1.779230
  C      -6.128913     -6.850732      2.816956
  N      -6.356339     -5.587081      3.520182
  Mo     -4.768690     -4.426881      3.935395
  N      -3.413387     -5.358479      5.040905
  C      -2.359060     -6.080573      4.312987
  C      -3.023946     -6.841252      3.174444
  H      -1.851514     -6.794606      4.979840
  H      -1.587142     -5.391717      3.926834
  H      -3.659907     -7.629278      3.600512
  H      -2.285610     -7.311799      2.502513
  H      -7.051942     -7.180717      2.311903
  H      -5.837857     -7.661860      3.510752
  H      -5.442323     -5.940814      0.999472
  H      -4.710675     -7.543116      1.300121
  H      -3.075806     -3.106160      0.656182
  H      -4.696392     -3.819795      0.686101
  H      -2.101236     -4.976195      1.828289
  H      -3.032672     -5.664268      0.471466
  C      -3.831117     -1.787258      2.716411
  C      -3.354097     -1.232239      3.923309
  C      -3.321651      0.146031      4.126064
  C      -3.763344      0.981645      3.113315
  F      -3.732335      2.326107      3.308585
  C      -4.223112      0.482932      1.887318
  C      -4.759154      1.349338      0.824145
  O      -5.152304      0.944804     -0.264696
  C      -4.953299      2.860475      1.060792
  O      -4.273455      3.693427      0.514607
  C      -6.131598      3.194977      2.011617
  O      -6.792776      2.351778      2.543920
  Cl     -6.349708      4.929682      2.277503
  C      -4.242532     -0.908261      1.699662
  C      -7.554193     -5.407139      4.244801
  C      -8.142032     -6.342954      5.114640
  C      -9.092826     -5.919253      6.047819
  C      -9.392032     -4.565302      6.166435
  F     -10.160597     -4.158309      7.200308
  C      -8.838840     -3.620492      5.288388
  C      -8.805946     -2.160930      5.563097
  O      -9.757674     -1.481992      5.902997
  C      -7.392887     -1.467518      5.538494
  O      -5.811234     -3.284510      6.459062
  C      -6.934348     -1.302635      7.004426
  O      -7.518441     -1.534117      8.010082
  Cl     -5.347836     -0.307083      7.058985
  C      -8.041380     -4.102171      4.248431
  C      -3.373888     -5.410756      6.448228
  C      -2.174195     -5.202506      7.160258
  C      -2.156577     -5.194655      8.554156
  C      -3.347082     -5.392433      9.240337
  F      -3.331197     -5.352548     10.597262
  C      -4.555072     -5.626880      8.575798
  C      -5.839076     -5.832647      9.261004
  O      -6.905363     -6.028484      8.687893
  C      -5.913341     -5.960410     10.790241
  O      -5.819288     -7.022542     11.355618
  C      -6.285465     -4.633591     11.496748
  O      -6.236784     -3.575626     10.944184
  Cl     -6.577483     -4.826721     13.237972
  C      -4.545436     -5.645250      7.171403
  H      -3.025183     -1.905339      4.717472
  H      -2.960588      0.575175      5.059860
  H      -4.642946     -1.281455      0.757420
  H      -7.804212     -7.380489      5.129076
  H      -9.519876     -6.620099      6.765331
  H      -7.674202     -3.402461      3.509928
  H      -1.249443     -5.015935      6.612601
  H      -1.238642     -5.018280      9.114877
  H      -5.487064     -5.848620      6.660759
  N      -5.639764     -3.162980      5.216217
  N      -6.380953     -2.002367      4.648062
  H      -5.662666     -1.293311      4.459892
  H      -7.571440     -0.438202      5.181341
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591451032935
  N      -3.949315     -3.174765      2.589204
  C      -3.743163     -3.745869      1.249781
  C      -3.109450     -5.114707      1.424762
  N      -3.894043     -5.905526      2.412928
  C      -5.043805     -6.603271      1.776020
  C      -6.130127     -6.846786      2.812022
  N      -6.356318     -5.583560      3.516381
  Mo     -4.767541     -4.426235      3.934763
  N      -3.416413     -5.362611      5.041811
  C      -2.361948     -6.085624      4.314689
  C      -3.026007     -6.843305      3.173768
  H      -1.857027     -6.801509      4.981541
  H      -1.587918     -5.397592      3.931209
  H      -3.664225     -7.630653      3.597786
  H      -2.287358     -7.314629      2.502736
  H      -7.053139     -7.174345      2.305330
  H      -5.841700     -7.659392      3.505201
  H      -5.439963     -5.935820      0.996752
  H      -4.711592     -7.539780      1.295808
  H      -3.068013     -3.106101      0.658135
  H      -4.689478     -3.817914      0.683334
  H      -2.098309     -4.977034      1.831673
  H      -3.026670     -5.664514      0.472534
  C      -3.829839     -1.787144      2.716329
  C      -3.353979     -1.231451      3.923274
  C      -3.322987      0.146986      4.125546
  C      -3.765145      0.981814      3.112298
  F      -3.735320      2.326348      3.307125
  C      -4.224280      0.482293      1.886422
  C      -4.762461      1.347675      0.823369
  O      -5.155609      0.942182     -0.265044
  C      -4.959536      2.858571      1.060047
  O      -4.281814      3.692814      0.513240
  C      -6.137223      3.190864      2.012336
  O      -6.795456      2.346308      2.546184
  Cl     -6.359187      4.925082      2.277569
  C      -4.242092     -0.908961      1.699246
  C      -7.553613     -5.404215      4.242601
  C      -8.139336     -6.340038      5.113746
  C      -9.089155     -5.916731      6.048053
  C      -9.389151     -4.562902      6.166636
  F     -10.156359     -4.156068      7.201467
  C      -8.837873     -3.617950      5.287564
  C      -8.804205     -2.158567      5.563304
  O      -9.755552     -1.478833      5.902568
  C      -7.390498     -1.466919      5.540413
  O      -5.812996     -3.287952      6.457960
  C      -6.931908     -1.305833      7.006663
  O      -7.516925     -1.537746      8.011669
  Cl     -5.342957     -0.313799      7.063858
  C      -8.041568     -4.099548      4.246390
  C      -3.375778     -5.413584      6.449268
  C      -2.175528     -5.204334      7.160143
  C      -2.157007     -5.195655      8.553992
  C      -3.346896     -5.393347      9.241365
  F      -3.329907     -5.352977     10.598177
  C      -4.555372     -5.628161      8.577822
  C      -5.839158     -5.832812      9.263680
  O      -6.905752     -6.029395      8.691298
  C      -5.913668     -5.958430     10.792969
  O      -5.819591     -7.019602     11.360130
  C      -6.286142     -4.630447     11.497227
  O      -6.234325     -3.573135     10.943614
  Cl     -6.582439     -4.821205     13.237895
  C      -4.546743     -5.647391      7.173390
  H      -3.025186     -1.903991      4.717978
  H      -2.962802      0.576991      5.059283
  H      -4.642409     -1.282903      0.757264
  H      -7.800236     -7.377154      5.128172
  H      -9.514495     -6.617902      6.766260
  H      -7.675758     -3.399549      3.507420
  H      -1.251258     -5.017911      6.611653
  H      -1.238711     -5.018723      9.113972
  H      -5.489032     -5.849936      6.663704
  N      -5.639412     -3.163693      5.215720
  N      -6.379685     -2.002233      4.648881
  H      -5.660608     -1.294122      4.460326
  H      -7.566777     -0.436482      5.185441
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.591458875178
  N      -3.946371     -3.175479      2.588368
  C      -3.739161     -3.745931      1.248960
  C      -3.106886     -5.115521      1.424463
  N      -3.892971     -5.905642      2.411709
  C      -5.043094     -6.601629      1.773938
  C      -6.130813     -6.843899      2.808784
  N      -6.356019     -5.580303      3.512734
  Mo     -4.766424     -4.425301      3.933621
  N      -3.418835     -5.365186      5.042237
  C      -2.363818     -6.088315      4.315769
  C      -3.027062     -6.844358      3.173378
  H      -1.860622     -6.805369      4.982669
  H      -1.588667     -5.400399      3.934320
  H      -3.666695     -7.631102      3.596495
  H      -2.288216     -7.316676      2.503253
  H      -7.053703     -7.169872      2.300811
  H      -5.844689     -7.656960      3.502365
  H      -5.438278     -5.933503      0.994720
  H      -4.711935     -7.538335      1.293353
  H      -3.062070     -3.106708      0.658918
  H      -4.684555     -3.816633      0.680855
  H      -2.095940     -4.978485      1.832140
  H      -3.023478     -5.665371      0.472301
  C      -3.828368     -1.787456      2.715689
  C      -3.353456     -1.231481      3.922819
  C      -3.323835      0.147064      4.125034
  C      -3.766533      0.981388      3.111509
  F      -3.737889      2.325938      3.306072
  C      -4.225116      0.481368      1.885703
  C      -4.765595      1.346196      0.823339
  O      -5.159399      0.940239     -0.264674
  C      -4.965710      2.856711      1.059992
  O      -4.290255      3.692406      0.512629
  C      -6.142972      3.186808      2.013655
  O      -6.797833      2.340910      2.549574
  Cl     -6.369339      4.920490      2.277365
  C      -4.241434     -0.909896      1.698510
  C      -7.552517     -5.401059      4.240908
  C      -8.135730     -6.336770      5.113860
  C      -9.084465     -5.913348      6.049214
  C      -9.385383     -4.559667      6.167183
  F     -10.151241     -4.152806      7.202958
  C      -8.836201     -3.614636      5.286807
  C      -8.802019     -2.155405      5.563410
  O      -9.753279     -1.475142      5.901849
  C      -7.387718     -1.465642      5.542527
  O      -5.814339     -3.291091      6.456505
  C      -6.929357     -1.309236      7.009063
  O      -7.515186     -1.542098      8.013361
  Cl     -5.337902     -0.320445      7.069571
  C      -8.041258     -4.096804      4.244684
  C      -3.377646     -5.415067      6.449842
  C      -2.177093     -5.205507      7.160131
  C      -2.158286     -5.196758      8.553946
  C      -3.347773     -5.394630      9.241996
  F      -3.330040     -5.354750     10.598688
  C      -4.556498     -5.629285      8.578782
  C      -5.840101     -5.832899      9.265015
  O      -6.907070     -6.029716      8.693287
  C      -5.915181     -5.957248     10.794369
  O      -5.821479     -7.017632     11.363034
  C      -6.287962     -4.628337     11.496897
  O      -6.231178     -3.571374     10.942964
  Cl     -6.590959     -4.817325     13.236407
  C      -4.548392     -5.648608      7.174276
  H      -3.024640     -1.903596      4.717884
  H      -2.964471      0.577525      5.058869
  H      -4.641891     -1.284383      0.756820
  H      -7.795490     -7.373477      5.129087
  H      -9.507662     -6.614602      6.768591
  H      -7.676221     -3.397544      3.504680
  H      -1.252968     -5.019176      6.611407
  H      -1.239795     -5.019706      9.113604
  H      -5.491022     -5.850601      6.665102
  N      -5.638774     -3.164086      5.214800
  N      -6.378114     -2.001602      4.649726
  H      -5.658220     -1.294544      4.460554
  H      -7.561666     -0.433983      5.190015
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.592104013029
  N      -3.939057     -3.177398      2.587920
  C      -3.734098     -3.746901      1.249154
  C      -3.106543     -5.119434      1.426903
  N      -3.895345     -5.906296      2.414011
  C      -5.046769     -6.598687      1.775804
  C      -6.135557     -6.837045      2.809678
  N      -6.357484     -5.572822      3.512572
  Mo     -4.763601     -4.423237      3.935462
  N      -3.421769     -5.369438      5.046018
  C      -2.368540     -6.095578      4.319899
  C      -3.032413     -6.847273      3.175210
  H      -1.868211     -6.814898      4.986806
  H      -1.591568     -5.408074      3.941007
  H      -3.675710     -7.631658      3.595985
  H      -2.294984     -7.322092      2.505420
  H      -7.058722     -7.160544      2.300653
  H      -5.851903     -7.650026      3.504382
  H      -5.439779     -5.930391      0.996837
  H      -4.717649     -7.536247      1.295616
  H      -3.053763     -3.110678      0.659722
  H      -4.679900     -3.814291      0.681210
  H      -2.095686     -4.987420      1.836059
  H      -3.024458     -5.669848      0.474604
  C      -3.821261     -1.789776      2.717540
  C      -3.336338     -1.238538      3.925126
  C      -3.299642      0.138229      4.131726
  C      -3.744648      0.976382      3.121861
  F      -3.711917      2.319781      3.324594
  C      -4.215756      0.480000      1.897981
  C      -4.777356      1.346016      0.847430
  O      -5.141000      0.947631     -0.253080
  C      -4.970654      2.856846      1.091443
  O      -4.309572      3.695346      0.531434
  C      -6.190586      3.182285      1.993549
  O      -6.869757      2.332484      2.493587
  Cl     -6.487766      4.916224      2.177158
  C      -4.231887     -0.909939      1.704133
  C      -7.553262     -5.388920      4.238442
  C      -8.138573     -6.320843      5.113056
  C      -9.087581     -5.891985      6.046213
  C      -9.385618     -4.536589      6.160848
  F     -10.157003     -4.126178      7.189727
  C      -8.832729     -3.594200      5.279692
  C      -8.796244     -2.134249      5.556101
  O      -9.744739     -1.451095      5.891294
  C      -7.379421     -1.449999      5.537961
  O      -5.818822     -3.285832      6.451686
  C      -6.927662     -1.289315      7.003067
  O      -7.525483     -1.506321      8.003901
  Cl     -5.353525     -0.275905      7.063813
  C      -8.038505     -4.082434      4.239735
  C      -3.376990     -5.419767      6.453724
  C      -2.174351     -5.207335      7.160914
  C      -2.149710     -5.203914      8.553915
  C      -3.334166     -5.414634      9.245567
  F      -3.310436     -5.381543     10.602317
  C      -4.544572     -5.658125      8.584990
  C      -5.818912     -5.884554      9.281250
  O      -6.897677     -6.050244      8.723045
  C      -5.889164     -5.988194     10.813019
  O      -5.769222     -7.037912     11.395550
  C      -6.235704     -4.646206     11.505433
  O      -6.282250     -3.609612     10.912265
  Cl     -6.669026     -4.825976     13.218664
  C      -4.543365     -5.664416      7.180515
  H      -3.003442     -1.913932      4.715258
  H      -2.934748      0.563863      5.065821
  H      -4.640061     -1.280938      0.763732
  H      -7.801391     -7.358434      5.130325
  H      -9.516417     -6.590438      6.764705
  H      -7.666383     -3.384357      3.497978
  H      -1.252484     -5.014481      6.610244
  H      -1.229523     -5.023004      9.109509
  H      -5.485922     -5.870268      6.673387
  N      -5.635953     -3.158037      5.211925
  N      -6.367960     -1.992561      4.646919
  H      -5.645521     -1.288409      4.458691
  H      -7.549057     -0.418752      5.185435
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.592404382013
  N      -3.942027     -3.177175      2.588331
  C      -3.739350     -3.747236      1.250050
  C      -3.110665     -5.119345      1.429415
  N      -3.897658     -5.904981      2.418760
  C      -5.046873     -6.601834      1.781751
  C      -6.135442     -6.838375      2.815539
  N      -6.360390     -5.572118      3.513094
  Mo     -4.767167     -4.421106      3.937602
  N      -3.427322     -5.365858      5.051033
  C      -2.371219     -6.089019      4.326188
  C      -3.031593     -6.842512      3.180837
  H      -1.869132     -6.806872      4.993570
  H      -1.597133     -5.397824      3.948034
  H      -3.673251     -7.628356      3.600661
  H      -2.292634     -7.315883      2.511739
  H      -7.057035     -7.166311      2.306574
  H      -5.849439     -7.647004      3.514329
  H      -5.440582     -5.937262      1.000661
  H      -4.714427     -7.540009      1.305237
  H      -3.059973     -3.111840      0.658718
  H      -4.686722     -3.816583      0.684911
  H      -2.099287     -4.988522      1.837252
  H      -3.030933     -5.670382      0.477070
  C      -3.829488     -1.789582      2.716903
  C      -3.331522     -1.240123      3.921933
  C      -3.289505      0.135618      4.130105
  C      -3.735235      0.975694      3.121494
  F      -3.699339      2.318759      3.327224
  C      -4.216268      0.480604      1.900471
  C      -4.781394      1.348970      0.854047
  O      -5.123135      0.957322     -0.255338
  C      -4.942918      2.864666      1.094040
  O      -4.269735      3.688704      0.527550
  C      -6.193862      3.215037      1.944222
  O      -6.890380      2.378107      2.442950
  Cl     -6.470421      4.954865      2.107411
  C      -4.238354     -0.909060      1.705362
  C      -7.556745     -5.386449      4.234789
  C      -8.141246     -6.316646      5.111763
  C      -9.093897     -5.886176      6.040673
  C      -9.394844     -4.530873      6.150003
  F     -10.176020     -4.119637      7.170654
  C      -8.839447     -3.589150      5.269331
  C      -8.806402     -2.128966      5.548836
  O      -9.756078     -1.447803      5.881363
  C      -7.388230     -1.446555      5.541378
  O      -5.839871     -3.293938      6.447364
  C      -6.944814     -1.293814      7.007464
  O      -7.551776     -1.508616      8.003468
  Cl     -5.379661     -0.270027      7.077810
  C      -8.043465     -4.079641      4.232534
  C      -3.381566     -5.411921      6.458687
  C      -2.181837     -5.184846      7.166651
  C      -2.156543     -5.183286      8.559282
  C      -3.336758     -5.415341      9.250292
  F      -3.313177     -5.380993     10.607071
  C      -4.543237     -5.681442      8.588495
  C      -5.809055     -5.938872      9.289276
  O      -6.891659     -6.100713      8.737652
  C      -5.875788     -6.027261     10.822577
  O      -5.758963     -7.072637     11.413484
  C      -6.253580     -4.686163     11.500531
  O      -6.222852     -3.641243     10.921016
  Cl     -6.571906     -4.842555     13.241082
  C      -4.543526     -5.679244      7.184347
  H      -2.989990     -1.916835      4.706904
  H      -2.918773      0.558217      5.063374
  H      -4.650368     -1.278420      0.765633
  H      -7.804317     -7.354205      5.132204
  H      -9.527106     -6.582765      6.758230
  H      -7.665010     -3.383155      3.489670
  H      -1.262440     -4.976797      6.617119
  H      -1.238897     -4.987228      9.113912
  H      -5.481859     -5.899909      6.675687
  N      -5.645199     -3.157012      5.210622
  N      -6.371811     -1.987190      4.651388
  H      -5.648804     -1.282617      4.468928
  H      -7.555892     -0.413796      5.194768
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.592975583689
  N      -3.953087     -3.174990      2.582236
  C      -3.753329     -3.749503      1.245274
  C      -3.120125     -5.118923      1.427600
  N      -3.901569     -5.902701      2.422957
  C      -5.048713     -6.608381      1.791768
  C      -6.134389     -6.842586      2.828867
  N      -6.363467     -5.572379      3.517672
  Mo     -4.772782     -4.415527      3.937508
  N      -3.430156     -5.352820      5.052651
  C      -2.370837     -6.072444      4.328703
  C      -3.028909     -6.833036      3.187013
  H      -1.863937     -6.785626      4.997443
  H      -1.601834     -5.377536      3.947069
  H      -3.665916     -7.620853      3.610503
  H      -2.288822     -7.305284      2.518366
  H      -7.055009     -7.178353      2.323297
  H      -5.843050     -7.644325      3.533352
  H      -5.446518     -5.950110      1.007271
  H      -4.712268     -7.547821      1.320640
  H      -3.077543     -3.114687      0.649197
  H      -4.702697     -3.824628      0.684324
  H      -2.107322     -4.985041      1.830784
  H      -3.043714     -5.672758      0.476619
  C      -3.849752     -1.786162      2.703458
  C      -3.349262     -1.229259      3.904854
  C      -3.310241      0.147604      4.106344
  C      -3.751054      0.982144      3.090191
  F      -3.716492      2.326633      3.287317
  C      -4.225648      0.479879      1.870270
  C      -4.764921      1.345790      0.808518
  O      -5.142534      0.942596     -0.284576
  C      -4.913764      2.865774      1.035149
  O      -4.191401      3.679302      0.516594
  C      -6.120838      3.235305      1.939137
  O      -6.837903      2.408617      2.425214
  Cl     -6.323624      4.977638      2.169669
  C      -4.256666     -0.911569      1.686599
  C      -7.559233     -5.386099      4.238799
  C      -8.138182     -6.314789      5.121592
  C      -9.092330     -5.884067      6.048712
  C      -9.399198     -4.529945      6.151242
  F     -10.183840     -4.117779      7.169075
  C      -8.845980     -3.588862      5.267974
  C      -8.817262     -2.128729      5.550166
  O      -9.769228     -1.450697      5.881899
  C      -7.398472     -1.446883      5.551774
  O      -5.858907     -3.304351      6.444273
  C      -6.957475     -1.310034      7.019150
  O      -7.559634     -1.543743      8.014092
  Cl     -5.367854     -0.326613      7.101881
  C      -8.050266     -4.080507      4.232290
  C      -3.381162     -5.388586      6.460278
  C      -2.184559     -5.141569      7.166258
  C      -2.157886     -5.135511      8.559009
  C      -3.333603     -5.383956      9.251835
  F      -3.309132     -5.343454     10.608294
  C      -4.536755     -5.670250      8.591415
  C      -5.796326     -5.944943      9.295866
  O      -6.870054     -6.162705      8.745807
  C      -5.852205     -6.065412     10.827213
  O      -5.706416     -7.118268     11.398761
  C      -6.275251     -4.750829     11.529721
  O      -6.283755     -3.694791     10.970168
  Cl     -6.619267     -4.956891     13.259804
  C      -4.538234     -5.672234      7.187687
  H      -3.003012     -1.901257      4.691801
  H      -2.941817      0.574743      5.038435
  H      -4.662783     -1.286175      0.746478
  H      -7.798276     -7.351256      5.146625
  H      -9.523738     -6.578739      6.769308
  H      -7.670093     -3.387143      3.487230
  H      -1.268750     -4.920703      6.615741
  H      -1.242639     -4.922648      9.111401
  H      -5.473508     -5.907468      6.679451
  N      -5.655276     -3.154972      5.210037
  N      -6.379678     -1.981937      4.659782
  H      -5.657380     -1.275836      4.481655
  H      -7.565713     -0.411440      5.213214
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.592803209417
  N      -3.954649     -3.170593      2.584702
  C      -3.753940     -3.745321      1.247886
  C      -3.121665     -5.115035      1.430579
  N      -3.904263     -5.898604      2.425680
  C      -5.051729     -6.603899      1.794211
  C      -6.137641     -6.836711      2.831509
  N      -6.366409     -5.565428      3.518544
  Mo     -4.774063     -4.411302      3.940835
  N      -3.434796     -5.352034      5.056260
  C      -2.374838     -6.071411      4.332462
  C      -3.032175     -6.830245      3.189425
  H      -1.868920     -6.785318      5.001056
  H      -1.605214     -5.376382      3.952143
  H      -3.669848     -7.618683      3.611324
  H      -2.291727     -7.301878      2.520827
  H      -7.058340     -7.173086      2.326526
  H      -5.846030     -7.637438      3.537077
  H      -5.448890     -5.945596      1.009042
  H      -4.715542     -7.543781      1.323750
  H      -3.077414     -3.110772      0.652287
  H      -4.702788     -3.820662      0.686136
  H      -2.108980     -4.981890      1.834467
  H      -3.045141     -5.668652      0.479568
  C      -3.858894     -1.781009      2.704470
  C      -3.369245     -1.219714      3.908371
  C      -3.338421      0.157646      4.108092
  C      -3.772017      0.989168      3.085805
  F      -3.741604      2.334000      3.280598
  C      -4.230390      0.483224      1.861678
  C      -4.745706      1.345114      0.783853
  O      -5.135412      0.931945     -0.301245
  C      -4.876196      2.869503      0.993128
  O      -4.159500      3.667802      0.444364
  C      -6.114679      3.264798      1.841453
  O      -6.807068      2.451136      2.381595
  Cl     -6.275142      5.010083      2.081421
  C      -4.261029     -0.909280      1.683304
  C      -7.561938     -5.377851      4.239478
  C      -8.139263     -6.305867      5.124308
  C      -9.092529     -5.875216      6.052130
  C      -9.400520     -4.521396      6.153001
  F     -10.182780     -4.108279      7.172428
  C      -8.847559     -3.580468      5.269008
  C      -8.817098     -2.121343      5.556899
  O      -9.768844     -1.442038      5.886599
  C      -7.395338     -1.445457      5.568685
  O      -5.874339     -3.322387      6.446959
  C      -6.956542     -1.324371      7.038156
  O      -7.561690     -1.564550      8.029900
  Cl     -5.356235     -0.360227      7.133302
  C      -8.052856     -4.072009      4.232615
  C      -3.382712     -5.382595      6.463980
  C      -2.188057     -5.120986      7.167275
  C      -2.158726     -5.114513      8.560260
  C      -3.330428     -5.375552      9.255578
  F      -3.303338     -5.337489     10.611853
  C      -4.532351     -5.671775      8.597398
  C      -5.786220     -5.961819      9.305037
  O      -6.855459     -6.206833      8.757300
  C      -5.832713     -6.109412     10.834173
  O      -5.646932     -7.164770     11.389514
  C      -6.267875     -4.812891     11.562085
  O      -6.335677     -3.754703     11.010928
  Cl     -6.641785     -5.061147     13.280213
  C      -4.536085     -5.675069      7.193961
  H      -3.026245     -1.889256      4.699009
  H      -2.979725      0.587523      5.042706
  H      -4.656760     -1.286690      0.740073
  H      -7.798065     -7.341887      5.150315
  H      -9.522315     -6.568914      6.774778
  H      -7.670065     -3.379442      3.489019
  H      -1.275609     -4.890988      6.614945
  H      -1.244263     -4.892526      9.110329
  H      -5.470407     -5.916939      6.686743
  N      -5.659288     -3.156557      5.216240
  N      -6.376572     -1.977612      4.674764
  H      -5.652061     -1.272423      4.501945
  H      -7.557653     -0.406316      5.238969
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.593315796653
  N      -3.947809     -3.169412      2.589091
  C      -3.746835     -3.742937      1.251837
  C      -3.119093     -5.114964      1.433675
  N      -3.905782     -5.897942      2.426698
  C      -5.055099     -6.598572      1.792823
  C      -6.142707     -6.828686      2.829111
  N      -6.368113     -5.556941      3.516517
  Mo     -4.771037     -4.410640      3.943612
  N      -3.438199     -5.359236      5.059139
  C      -2.379550     -6.081032      4.335482
  C      -3.037646     -6.834635      3.189462
  H      -1.877422     -6.797974      5.003619
  H      -1.606539     -5.388180      3.957874
  H      -3.678639     -7.622374      3.607916
  H      -2.297603     -7.306598      2.520758
  H      -7.064166     -7.162259      2.323718
  H      -5.853477     -7.630574      3.534386
  H      -5.448823     -5.937909      1.007707
  H      -4.721531     -7.539156      1.321905
  H      -3.067751     -3.109488      0.657936
  H      -4.695015     -3.815148      0.688532
  H      -2.106695     -4.985632      1.839655
  H      -3.042735     -5.667319      0.481994
  C      -3.854560     -1.780019      2.711591
  C      -3.372887     -1.220580      3.919650
  C      -3.346629      0.155970      4.123740
  C      -3.778355      0.989497      3.102186
  F      -3.751676      2.333480      3.302425
  C      -4.227875      0.486179      1.873921
  C      -4.739365      1.348849      0.794363
  O      -5.120904      0.936625     -0.293994
  C      -4.857677      2.874388      1.000283
  O      -4.140759      3.665307      0.441261
  C      -6.121065      3.278786      1.806684
  O      -6.869804      2.470502      2.275124
  Cl     -6.375778      5.027326      1.892871
  C      -4.253092     -0.906128      1.691009
  C      -7.563839     -5.365286      4.235831
  C      -8.144353     -6.291505      5.120538
  C      -9.096147     -5.858549      6.048624
  C      -9.400482     -4.503838      6.149124
  F     -10.180013     -4.087902      7.169573
  C      -8.844282     -3.564528      5.265206
  C      -8.808130     -2.106311      5.557480
  O      -9.757827     -1.422439      5.883360
  C      -7.382007     -1.439453      5.578071
  O      -5.884685     -3.338331      6.447812
  C      -6.946363     -1.327925      7.049268
  O      -7.560716     -1.560767      8.037180
  Cl     -5.348721     -0.361359      7.153396
  C      -8.050371     -4.057636      4.229001
  C      -3.384584     -5.387967      6.467011
  C      -2.191423     -5.116826      7.168639
  C      -2.159866     -5.111974      8.561803
  C      -3.328539     -5.383012      9.258618
  F      -3.299287     -5.349881     10.614838
  C      -4.529670     -5.685393      8.601973
  C      -5.778185     -5.991708      9.311980
  O      -6.851697     -6.226112      8.767502
  C      -5.822002     -6.141571     10.841075
  O      -5.619772     -7.194900     11.394305
  C      -6.263071     -4.849751     11.573281
  O      -6.338002     -3.790562     11.025291
  Cl     -6.616395     -5.102483     13.295132
  C      -4.535533     -5.686409      7.198699
  H      -3.033245     -1.891994      4.710319
  H      -2.993869      0.583753      5.061593
  H      -4.644556     -1.281374      0.745239
  H      -7.805168     -7.328188      5.146674
  H      -9.527430     -6.550390      6.772255
  H      -7.662092     -3.366006      3.488064
  H      -1.281415     -4.880156      6.615056
  H      -1.245743     -4.884869      9.110296
  H      -5.469147     -5.931922      6.691823
  N      -5.657229     -3.158780      5.220779
  N      -6.363984     -1.973215      4.684409
  H      -5.635493     -1.270862      4.516185
  H      -7.537199     -0.397542      5.254182
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.593434746538
  N      -3.960133     -3.169335      2.584666
  C      -3.760370     -3.745720      1.248732
  C      -3.126435     -5.114579      1.433072
  N      -3.907878     -5.898110      2.429708
  C      -5.054456     -6.606208      1.799119
  C      -6.139730     -6.836925      2.837418
  N      -6.370322     -5.563261      3.519314
  Mo     -4.776414     -4.410897      3.943900
  N      -3.439737     -5.351765      5.060132
  C      -2.378247     -6.069889      4.337146
  C      -3.033817     -6.828905      3.193261
  H      -1.872111     -6.782950      5.006571
  H      -1.609149     -5.373899      3.957332
  H      -3.670298     -7.619055      3.613501
  H      -2.292243     -7.298207      2.524427
  H      -7.060041     -7.177389      2.334609
  H      -5.845245     -7.633916      3.546012
  H      -5.451519     -5.950334      1.012066
  H      -4.716650     -7.546936      1.331683
  H      -3.085249     -3.111345      0.651341
  H      -4.709858     -3.823614      0.688317
  H      -2.113668     -4.980947      1.836576
  H      -3.050546     -5.668836      0.482424
  C      -3.874848     -1.779493      2.702642
  C      -3.392178     -1.214916      3.908750
  C      -3.367626      0.162086      4.108582
  C      -3.800973      0.991746      3.084267
  F      -3.776205      2.336558      3.280468
  C      -4.252787      0.483400      1.859063
  C      -4.766248      1.342655      0.778117
  O      -5.114060      0.931968     -0.321697
  C      -4.835280      2.874328      0.960133
  O      -4.043204      3.632379      0.459630
  C      -6.062566      3.332048      1.794274
  O      -6.843180      2.557374      2.267589
  Cl     -6.180815      5.088264      1.973751
  C      -4.273671     -0.909467      1.679375
  C      -7.566447     -5.373570      4.237617
  C      -8.142406     -6.300205      5.124916
  C      -9.095880     -5.869274      6.052090
  C      -9.405828     -4.515506      6.149272
  F     -10.189518     -4.100710      7.166985
  C      -8.853855     -3.575753      5.263146
  C      -8.823355     -2.117488      5.556765
  O      -9.775791     -1.436478      5.879393
  C      -7.398378     -1.448542      5.583155
  O      -5.908333     -3.355166      6.443529
  C      -6.965805     -1.342666      7.055007
  O      -7.586015     -1.572235      8.040066
  Cl     -5.374191     -0.368045      7.165430
  C      -8.058246     -4.067662      4.227881
  C      -3.382825     -5.374067      6.468108
  C      -2.192656     -5.082355      7.166368
  C      -2.157314     -5.075421      8.559363
  C      -3.318734     -5.367779      9.259303
  F      -3.286263     -5.332818     10.615337
  C      -4.516028     -5.693723      8.605935
  C      -5.753971     -6.030440      9.320851
  O      -6.836328     -6.241339      8.783918
  C      -5.794659     -6.161240     10.851987
  O      -5.596223     -7.210070     11.414711
  C      -6.273348     -4.873706     11.567489
  O      -6.345622     -3.817069     11.014276
  Cl     -6.628532     -5.117140     13.290348
  C      -4.526739     -5.691800      7.202766
  H      -3.047798     -1.883147      4.699987
  H      -3.014273      0.592916      5.044862
  H      -4.663176     -1.287988      0.733906
  H      -7.798947     -7.335404      5.153427
  H      -9.525006     -6.560819      6.777204
  H      -7.668770     -3.376559      3.485972
  H      -1.287993     -4.831177      6.610247
  H      -1.245738     -4.831196      9.104703
  H      -5.456497     -5.954416      6.697661
  N      -5.671184     -3.163478      5.219743
  N      -6.377853     -1.977484      4.689097
  H      -5.651464     -1.272532      4.523121
  H      -7.555474     -0.405703      5.263836
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.593910708121
  N      -3.961396     -3.164400      2.587759
  C      -3.762571     -3.741020      1.251774
  C      -3.129614     -5.110240      1.435476
  N      -3.911653     -5.893445      2.431879
  C      -5.058678     -6.600428      1.800729
  C      -6.144319     -6.829521      2.838869
  N      -6.374014     -5.555029      3.519565
  Mo     -4.778058     -4.406214      3.947141
  N      -3.443942     -5.350206      5.062600
  C      -2.382597     -6.068721      4.339653
  C      -3.038256     -6.825823      3.194684
  H      -1.877675     -6.782847      5.008889
  H      -1.612562     -5.373236      3.960846
  H      -3.675291     -7.616218      3.613612
  H      -2.296739     -7.294622      2.525441
  H      -7.064797     -7.169871      2.336319
  H      -5.850203     -7.625995      3.548190
  H      -5.454636     -5.944184      1.013394
  H      -4.721503     -7.541567      1.333716
  H      -3.087047     -3.107170      0.654236
  H      -4.712301     -3.818231      0.691665
  H      -2.116584     -4.977827      1.838725
  H      -3.054728     -5.664037      0.484512
  C      -3.878175     -1.774482      2.704266
  C      -3.398539     -1.208060      3.910870
  C      -3.372651      0.169341      4.107931
  C      -3.797809      0.998041      3.079115
  F      -3.768466      2.343268      3.271811
  C      -4.243288      0.488018      1.852506
  C      -4.734677      1.346254      0.760304
  O      -5.107279      0.929159     -0.329074
  C      -4.802705      2.878689      0.936163
  O      -4.007919      3.631896      0.433035
  C      -6.064277      3.344993      1.711639
  O      -6.854178      2.574102      2.175258
  Cl     -6.193769      5.103166      1.861810
  C      -4.270281     -0.905502      1.677445
  C      -7.570053     -5.364547      4.237704
  C      -8.145575     -6.292391      5.124255
  C      -9.098973     -5.863093      6.051971
  C      -9.408685     -4.509513      6.150780
  F     -10.192844     -4.096059      7.168876
  C      -8.856237     -3.568373      5.266434
  C      -8.823395     -2.111634      5.567987
  O      -9.775420     -1.429755      5.889996
  C      -7.395918     -1.448715      5.605296
  O      -5.923899     -3.374199      6.446551
  C      -6.965387     -1.363704      7.079030
  O      -7.585359     -1.606924      8.061053
  Cl     -5.349742     -0.431481      7.204651
  C      -8.061240     -4.058268      4.229804
  C      -3.385164     -5.367914      6.470639
  C      -2.197421     -5.063713      7.167244
  C      -2.161468     -5.052989      8.560358
  C      -3.320027     -5.353723      9.261592
  F      -3.287691     -5.313598     10.617391
  C      -4.515072     -5.690609      8.609531
  C      -5.750756     -6.032419      9.325387
  O      -6.824465     -6.280657      8.786798
  C      -5.782883     -6.193133     10.853433
  O      -5.556691     -7.246662     11.397162
  C      -6.284355     -4.928538     11.593780
  O      -6.375542     -3.862555     11.061734
  Cl     -6.621760     -5.210035     13.314259
  C      -4.526021     -5.693374      7.206556
  H      -3.056832     -1.875226      4.704225
  H      -3.022145      0.601275      5.044763
  H      -4.652996     -1.284878      0.729559
  H      -7.802134     -7.327644      5.151340
  H      -9.528375     -6.555436      6.776195
  H      -7.668553     -3.366723      3.489932
  H      -1.295520     -4.805357      6.609912
  H      -1.251985     -4.798362      9.104431
  H      -5.454105     -5.962788      6.701856
  N      -5.675420     -3.164949      5.227292
  N      -6.375868     -1.972670      4.708462
  H      -5.647629     -1.268308      4.548461
  H      -7.548439     -0.401738      5.296611
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.594119132364
  N      -3.967053     -3.160532      2.590045
  C      -3.767829     -3.737543      1.254243
  C      -3.133520     -5.106093      1.437687
  N      -3.915188     -5.890570      2.433638
  C      -5.061579     -6.598251      1.801639
  C      -6.147447     -6.827080      2.839575
  N      -6.378297     -5.551844      3.518609
  Mo     -4.781279     -4.405036      3.949700
  N      -3.447934     -5.348982      5.064080
  C      -2.386205     -6.067531      4.341649
  C      -3.041204     -6.823574      3.195638
  H      -1.882064     -6.781862      5.011252
  H      -1.615483     -5.372335      3.963615
  H      -3.677857     -7.615105      3.613085
  H      -2.299149     -7.290630      2.525831
  H      -7.067638     -7.169043      2.337635
  H      -5.852303     -7.622420      3.549767
  H      -5.456987     -5.942372      1.013646
  H      -4.723527     -7.539479      1.335483
  H      -3.092986     -3.103194      0.656385
  H      -4.717500     -3.815789      0.694169
  H      -2.120627     -4.973066      1.841139
  H      -3.058219     -5.659302      0.486452
  C      -3.888506     -1.770604      2.705497
  C      -3.419016     -1.201473      3.915069
  C      -3.397800      0.176189      4.111040
  C      -3.814207      1.003639      3.077238
  F      -3.792922      2.348807      3.270802
  C      -4.245655      0.491561      1.846761
  C      -4.719972      1.347366      0.745022
  O      -5.111043      0.925335     -0.336108
  C      -4.754487      2.882426      0.901130
  O      -3.943233      3.610345      0.387135
  C      -6.017140      3.386594      1.649080
  O      -6.822390      2.639228      2.123930
  Cl     -6.125763      5.149829      1.746609
  C      -4.273158     -0.902572      1.674860
  C      -7.575227     -5.361670      4.235260
  C      -8.150774     -6.291551      5.119825
  C      -9.104967     -5.865182      6.047731
  C      -9.415641     -4.511948      6.148442
  F     -10.199927     -4.100516      7.167408
  C      -8.862891     -3.568800      5.266524
  C      -8.828818     -2.113806      5.577166
  O      -9.781105     -1.431222      5.896723
  C      -7.399167     -1.456334      5.627744
  O      -5.950715     -3.405950      6.446458
  C      -6.972814     -1.390956      7.103971
  O      -7.602146     -1.633291      8.080278
  Cl     -5.357141     -0.461667      7.246430
  C      -8.066774     -4.055409      4.229169
  C      -3.386598     -5.360714      6.472385
  C      -2.202727     -5.035733      7.165646
  C      -2.164446     -5.020224      8.558829
  C      -3.317238     -5.336357      9.262925
  F      -3.283393     -5.292807     10.618468
  C      -4.508644     -5.691572      8.614100
  C      -5.737436     -6.049717      9.333344
  O      -6.809544     -6.311980      8.798012
  C      -5.760427     -6.224635     10.859702
  O      -5.492547     -7.273284     11.394055
  C      -6.280317     -4.976649     11.615247
  O      -6.408035     -3.910622     11.091011
  Cl     -6.598842     -5.280300     13.335656
  C      -4.521849     -5.699002      7.211228
  H      -3.082489     -1.867280      4.711925
  H      -3.057122      0.609446      5.050942
  H      -4.646648     -1.282795      0.723695
  H      -7.806045     -7.326418      5.145326
  H      -9.534388     -6.558781      6.770813
  H      -7.669621     -3.362806      3.492942
  H      -1.305878     -4.765846      6.605582
  H      -1.257875     -4.750189      9.100291
  H      -5.447027     -5.980924      6.708017
  N      -5.685615     -3.172710      5.234244
  N      -6.378367     -1.973761      4.728867
  H      -5.648872     -1.269063      4.575909
  H      -7.547956     -0.405358      5.330729
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.594341005724
  N      -3.971366     -3.159262      2.589760
  C      -3.774215     -3.738284      1.254463
  C      -3.139070     -5.106437      1.438164
  N      -3.919747     -5.890921      2.435199
  C      -5.066384     -6.599266      1.803763
  C      -6.152149     -6.825557      2.842277
  N      -6.382718     -5.548475      3.518078
  Mo     -4.782728     -4.405300      3.950870
  N      -3.448902     -5.346945      5.063491
  C      -2.388679     -6.068472      4.342016
  C      -3.045195     -6.824424      3.196674
  H      -1.885821     -6.782570      5.012866
  H      -1.616493     -5.375456      3.962888
  H      -3.681777     -7.615850      3.614306
  H      -2.303817     -7.291178      2.525967
  H      -7.072597     -7.169090      2.341935
  H      -5.856224     -7.619098      3.554171
  H      -5.460933     -5.944513      1.014466
  H      -4.728277     -7.541437      1.339653
  H      -3.100449     -3.104656      0.654552
  H      -4.724750     -3.817270      0.695956
  H      -2.125688     -4.973206      1.840328
  H      -3.065036     -5.659866      0.486977
  C      -3.893556     -1.769938      2.704370
  C      -3.430754     -1.200815      3.916964
  C      -3.409932      0.176524      4.113919
  C      -3.820058      1.005109      3.078360
  F      -3.802137      2.349891      3.274390
  C      -4.243796      0.493592      1.845151
  C      -4.713422      1.349796      0.742262
  O      -5.113954      0.928650     -0.336053
  C      -4.721392      2.885141      0.886620
  O      -3.887500      3.592825      0.380169
  C      -5.993883      3.417803      1.595800
  O      -6.817413      2.688960      2.067786
  Cl     -6.088716      5.183853      1.646840
  C      -4.270427     -0.900581      1.671903
  C      -7.580675     -5.356382      4.232378
  C      -8.159102     -6.287534      5.113897
  C      -9.114231     -5.862413      6.041060
  C      -9.423230     -4.508795      6.143687
  F     -10.208287     -4.098115      7.162520
  C      -8.867874     -3.564699      5.264732
  C      -8.829979     -2.111473      5.584201
  O      -9.781387     -1.426273      5.900452
  C      -7.397294     -1.461365      5.647756
  O      -5.978746     -3.438710      6.442466
  C      -6.974546     -1.417157      7.125531
  O      -7.608835     -1.665351      8.097195
  Cl     -5.339198     -0.525992      7.284221
  C      -8.070378     -4.049415      4.227649
  C      -3.384404     -5.350143      6.472200
  C      -2.204546     -5.000935      7.159943
  C      -2.162913     -4.976404      8.552996
  C      -3.308567     -5.307982      9.261751
  F      -3.272483     -5.255565     10.616798
  C      -4.495813     -5.686304      8.618342
  C      -5.716919     -6.060297      9.342459
  O      -6.790265     -6.328088      8.812014
  C      -5.729287     -6.245398     10.867249
  O      -5.441238     -7.293895     11.391405
  C      -6.291465     -5.022083     11.632364
  O      -6.451593     -3.955604     11.118122
  Cl     -6.623916     -5.357644     13.344438
  C      -4.512522     -5.701776      7.215571
  H      -3.098939     -1.867178      4.715507
  H      -3.074866      0.608797      5.056395
  H      -4.639339     -1.279073      0.718251
  H      -7.815220     -7.322714      5.137940
  H      -9.546045     -6.556605      6.762189
  H      -7.665914     -3.356886      3.495537
  H      -1.313944     -4.719839      6.595344
  H      -1.259764     -4.687472      9.090369
  H      -5.434082     -5.999910      6.715271
  N      -5.694024     -3.179866      5.238886
  N      -6.376427     -1.973795      4.747511
  H      -5.645327     -1.269548      4.600238
  H      -7.541682     -0.406742      5.361910
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.594582051775
  N      -3.974477     -3.162047      2.587860
  C      -3.777600     -3.743601      1.253641
  C      -3.142229     -5.111528      1.439151
  N      -3.924174     -5.895636      2.435692
  C      -5.070384     -6.603485      1.802280
  C      -6.158717     -6.826059      2.838720
  N      -6.389232     -5.546972      3.510975
  Mo     -4.785253     -4.409679      3.948862
  N      -3.451839     -5.346988      5.061372
  C      -2.393812     -6.074925      4.343594
  C      -3.051526     -6.830441      3.198348
  H      -1.895033     -6.789224      5.017351
  H      -1.617778     -5.386410      3.964005
  H      -3.689844     -7.620490      3.615602
  H      -2.310549     -7.298210      2.527937
  H      -7.078627     -7.170110      2.337776
  H      -5.864670     -7.618376      3.552771
  H      -5.461495     -5.949606      1.010762
  H      -4.732097     -7.546979      1.341114
  H      -3.103641     -3.111310      0.652437
  H      -4.728179     -3.822800      0.695251
  H      -2.129136     -4.978242      1.841975
  H      -3.067673     -5.665375      0.488221
  C      -3.893167     -1.774095      2.703190
  C      -3.436210     -1.208545      3.920271
  C      -3.411839      0.167875      4.121165
  C      -3.814361      1.000693      3.086074
  F      -3.793805      2.344757      3.286151
  C      -4.233484      0.493013      1.849655
  C      -4.705664      1.353406      0.752406
  O      -5.111872      0.938724     -0.326775
  C      -4.699528      2.887349      0.894408
  O      -3.833789      3.582503      0.424381
  C      -5.984802      3.436173      1.566333
  O      -6.824700      2.718334      2.026295
  Cl     -6.063830      5.203658      1.601812
  C      -4.259397     -0.900536      1.670467
  C      -7.590135     -5.352357      4.219588
  C      -8.176271     -6.285471      5.094099
  C      -9.135077     -5.861655      6.017684
  C      -9.440383     -4.507172      6.123739
  F     -10.229690     -4.097881      7.139977
  C      -8.878219     -3.561740      5.251252
  C      -8.834926     -2.110666      5.581207
  O      -9.784976     -1.421743      5.892990
  C      -7.398934     -1.468631      5.661031
  O      -6.017547     -3.477825      6.429652
  C      -6.983274     -1.446432      7.140664
  O      -7.626879     -1.696222      8.105745
  Cl     -5.332953     -0.587471      7.319295
  C      -8.076517     -4.044184      4.216443
  C      -3.385448     -5.338539      6.470795
  C      -2.210486     -4.960797      7.151580
  C      -2.165871     -4.920841      8.544110
  C      -3.303672     -5.266442      9.258770
  F      -3.266320     -5.197849     10.613016
  C      -4.485350     -5.673355      8.622773
  C      -5.698598     -6.059074      9.354016
  O      -6.773562     -6.334316      8.830720
  C      -5.697625     -6.250006     10.877717
  O      -5.369052     -7.290362     11.394477
  C      -6.283226     -5.045402     11.654551
  O      -6.464902     -3.977351     11.151280
  Cl     -6.576410     -5.394878     13.371454
  C      -4.505474     -5.703167      7.219881
  H      -3.110635     -1.877844      4.719092
  H      -3.080135      0.596414      5.066658
  H      -4.625569     -1.274161      0.713729
  H      -7.835235     -7.321641      5.115843
  H      -9.573511     -6.557231      6.733467
  H      -7.661099     -3.351486      3.490661
  H      -1.326868     -4.669779      6.580957
  H      -1.267376     -4.608936      9.076388
  H      -5.422107     -6.022110      6.723903
  N      -5.707459     -3.190198      5.237869
  N      -6.376575     -1.976223      4.761363
  H      -5.643904     -1.272580      4.619441
  H      -7.538554     -0.410562      5.386637
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.594762908707
  N      -3.983223     -3.165026      2.586295
  C      -3.785758     -3.747296      1.252594
  C      -3.148360     -5.114242      1.438978
  N      -3.930006     -5.899458      2.434891
  C      -5.075641     -6.607413      1.800145
  C      -6.165916     -6.828369      2.834810
  N      -6.397240     -5.548243      3.505175
  Mo     -4.790228     -4.415248      3.947354
  N      -3.453522     -5.346289      5.057886
  C      -2.398172     -6.080147      4.342399
  C      -3.057728     -6.834857      3.197503
  H      -1.902672     -6.795041      5.017953
  H      -1.618841     -5.395631      3.962102
  H      -3.696880     -7.624067      3.615048
  H      -2.317596     -7.303276      2.526603
  H      -7.085090     -7.172867      2.332778
  H      -5.873361     -7.620266      3.549971
  H      -5.464997     -5.954256      1.007214
  H      -4.736785     -7.551509      1.340646
  H      -3.112383     -3.114929      0.650678
  H      -4.736242     -3.827582      0.694268
  H      -2.135774     -4.979162      1.842473
  H      -3.072138     -5.668096      0.488140
  C      -3.898247     -1.778266      2.703937
  C      -3.446988     -1.216619      3.925323
  C      -3.421381      0.159099      4.130768
  C      -3.814293      0.996186      3.095271
  F      -3.792395      2.339373      3.299213
  C      -4.226401      0.492263      1.854681
  C      -4.694011      1.356871      0.759735
  O      -5.111730      0.947527     -0.317633
  C      -4.660813      2.890320      0.890803
  O      -3.767448      3.563100      0.439522
  C      -5.946519      3.470911      1.533940
  O      -6.798870      2.775262      2.004884
  Cl     -5.999524      5.240030      1.532417
  C      -4.256090     -0.900804      1.671638
  C      -7.600710     -5.353881      4.209677
  C      -8.193035     -6.290674      5.076321
  C      -9.155647     -5.870276      5.997237
  C      -9.458790     -4.515578      6.109146
  F     -10.251774     -4.110253      7.124205
  C      -8.890927     -3.566819      5.244662
  C      -8.843560     -2.118095      5.585854
  O      -9.792518     -1.427314      5.896730
  C      -7.405421     -1.481052      5.679592
  O      -6.053761     -3.517237      6.418117
  C      -6.995603     -1.479310      7.160761
  O      -7.648564     -1.728078      8.119748
  Cl     -5.342914     -0.629125      7.357132
  C      -8.085591     -4.045120      4.210492
  C      -3.381977     -5.324359      6.467767
  C      -2.211383     -4.916195      7.138602
  C      -2.161707     -4.858760      8.530165
  C      -3.289934     -5.217890      9.253524
  F      -3.248902     -5.130807     10.606554
  C      -4.465985     -5.655345      8.627810
  C      -5.670095     -6.052247      9.368228
  O      -6.744829     -6.343205      8.853036
  C      -5.652663     -6.247436     10.890724
  O      -5.298796     -7.283797     11.399046
  C      -6.282796     -5.071137     11.675431
  O      -6.491626     -4.002710     11.183788
  Cl     -6.581226     -5.450433     13.385522
  C      -4.491543     -5.702057      7.225125
  H      -3.127297     -1.888813      4.724165
  H      -3.094280      0.584140      5.079462
  H      -4.618222     -1.270098      0.711609
  H      -7.854064     -7.327602      5.093950
  H      -9.599628     -6.569134      6.706401
  H      -7.662666     -3.350277      3.491251
  H      -1.336369     -4.615421      6.559838
  H      -1.267737     -4.522813      9.055392
  H      -5.403421     -6.044180      6.736353
  N      -5.722344     -3.202561      5.238294
  N      -6.381795     -1.981835      4.778221
  H      -5.649157     -1.277848      4.638649
  H      -7.542699     -0.419700      5.417065
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.594945026717
  N      -3.995821     -3.168102      2.586974
  C      -3.794488     -3.748432      1.253185
  C      -3.154261     -5.114171      1.439880
  N      -3.936270     -5.902187      2.433228
  C      -5.080066     -6.610361      1.795256
  C      -6.173671     -6.831947      2.826254
  N      -6.407705     -5.551924      3.496336
  Mo     -4.799237     -4.422232      3.945744
  N      -3.458029     -5.346089      5.054695
  C      -2.404565     -6.085038      4.341747
  C      -3.064593     -6.838029      3.195909
  H      -1.913003     -6.801349      5.018634
  H      -1.621667     -5.403891      3.962405
  H      -3.704698     -7.626933      3.612818
  H      -2.324580     -7.306696      2.525029
  H      -7.090964     -7.176463      2.320718
  H      -5.883740     -7.624451      3.541839
  H      -5.467599     -5.957353      1.001239
  H      -4.739535     -7.554214      1.336451
  H      -3.121035     -3.114451      0.652963
  H      -4.743668     -3.829952      0.692936
  H      -2.143059     -4.976399      1.845977
  H      -3.073866     -5.667104      0.488806
  C      -3.906912     -1.782378      2.709921
  C      -3.462853     -1.226369      3.936657
  C      -3.437067      0.148565      4.148322
  C      -3.818283      0.990967      3.112516
  F      -3.795837      2.332937      3.321451
  C      -4.220888      0.492179      1.866406
  C      -4.677210      1.362600      0.772131
  O      -5.104627      0.959892     -0.304467
  C      -4.609379      2.895175      0.890114
  O      -3.689611      3.540407      0.451341
  C      -5.891026      3.515543      1.502948
  O      -6.757033      2.848945      1.990525
  Cl     -5.912683      5.284844      1.451584
  C      -4.256555     -0.900221      1.678922
  C      -7.614735     -5.360180      4.195586
  C      -8.214244     -6.302259      5.051839
  C      -9.182323     -5.886943      5.969182
  C      -9.484265     -4.532515      6.089050
  F     -10.282298     -4.133493      7.102701
  C      -8.909564     -3.578604      5.235334
  C      -8.859523     -2.132545      5.588326
  O      -9.808190     -1.441225      5.899080
  C      -7.420310     -1.498090      5.696042
  O      -6.091808     -3.555400      6.406069
  C      -7.017050     -1.516444      7.178293
  O      -7.673684     -1.776140      8.131836
  Cl     -5.350242     -0.698801      7.391170
  C      -8.099038     -4.051174      4.202139
  C      -3.380554     -5.309957      6.464764
  C      -2.214861     -4.870896      7.125081
  C      -2.159679     -4.796685      8.515372
  C      -3.277311     -5.170182      9.248232
  F      -3.231409     -5.066850     10.599924
  C      -4.447046     -5.638075      8.633583
  C      -5.639738     -6.049276      9.384681
  O      -6.716389     -6.351161      8.880206
  C      -5.606794     -6.237243     10.907674
  O      -5.209391     -7.257448     11.416765
  C      -6.261695     -5.076681     11.695030
  O      -6.499214     -4.013768     11.204695
  Cl     -6.540385     -5.462079     13.407459
  C      -4.478678     -5.701061      7.231179
  H      -3.149980     -1.902403      4.735007
  H      -3.116447      0.569254      5.101137
  H      -4.612759     -1.264651      0.714817
  H      -7.877213     -7.339892      5.064073
  H      -9.632561     -6.590766      6.669496
  H      -7.670086     -3.352170      3.490824
  H      -1.349001     -4.560245      6.537881
  H      -1.270434     -4.437431      9.033174
  H      -5.385411     -6.067503      6.750867
  N      -5.741731     -3.216877      5.237977
  N      -6.394066     -1.990850      4.793257
  H      -5.662526     -1.286051      4.654062
  H      -7.556499     -0.433906      5.444785
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.595140253438
  N      -4.010616     -3.173944      2.588835
  C      -3.802209     -3.748981      1.254068
  C      -3.159953     -5.114268      1.439921
  N      -3.944023     -5.906230      2.428370
  C      -5.085770     -6.612658      1.785095
  C      -6.183753     -6.836778      2.810830
  N      -6.420676     -5.558482      3.483712
  Mo     -4.811057     -4.432796      3.942838
  N      -3.464130     -5.350359      5.049600
  C      -2.413667     -6.095395      4.338678
  C      -3.074560     -6.844198      3.190610
  H      -1.927817     -6.815140      5.016009
  H      -1.625776     -5.418369      3.961905
  H      -3.716994     -7.632290      3.605798
  H      -2.334967     -7.313859      2.519948
  H      -7.098579     -7.179342      2.299414
  H      -5.898075     -7.631869      3.525258
  H      -5.470850     -5.958043      0.991141
  H      -4.743887     -7.555449      1.325030
  H      -3.127318     -3.112123      0.658603
  H      -4.748844     -3.830647      0.689649
  H      -2.150981     -4.974402      1.850923
  H      -3.073407     -5.665077      0.488123
  C      -3.915257     -1.789228      2.721427
  C      -3.476066     -1.242431      3.953894
  C      -3.446081      0.131331      4.173651
  C      -3.815752      0.981213      3.139710
  F      -3.786919      2.321659      3.354420
  C      -4.212465      0.490647      1.888178
  C      -4.650898      1.370826      0.795395
  O      -5.082268      0.979140     -0.284081
  C      -4.555619      2.901599      0.911175
  O      -3.608044      3.525286      0.501260
  C      -5.844555      3.553674      1.473244
  O      -6.732835      2.911050      1.952886
  Cl     -5.838014      5.321818      1.384217
  C      -4.256655     -0.900478      1.693488
  C      -7.631338     -5.371198      4.177529
  C      -8.239470     -6.320294      5.020238
  C      -9.213059     -5.911539      5.934672
  C      -9.512901     -4.557689      6.066688
  F     -10.316324     -4.167551      7.079533
  C      -8.930341     -3.596652      5.226677
  C      -8.878005     -2.153915      5.592270
  O      -9.826486     -1.463178      5.905356
  C      -7.438602     -1.519745      5.711034
  O      -6.123116     -3.591446      6.395354
  C      -7.040617     -1.553195      7.193801
  O      -7.700038     -1.821621      8.142916
  Cl     -5.371822     -0.743823      7.418727
  C      -8.114463     -4.061745      4.193572
  C      -3.377330     -5.296946      6.459096
  C      -2.214202     -4.830072      7.105436
  C      -2.151012     -4.735875      8.493829
  C      -3.258171     -5.116328      9.239555
  F      -3.204547     -4.992007     10.589097
  C      -4.424294     -5.610318      8.639424
  C      -5.606366     -6.027353      9.404099
  O      -6.683467     -6.346092      8.911580
  C      -5.556396     -6.205938     10.927787
  O      -5.125381     -7.211725     11.438455
  C      -6.233038     -5.058885     11.716011
  O      -6.494131     -4.001410     11.226032
  Cl     -6.504451     -5.451086     13.428326
  C      -4.464054     -5.693907      7.237880
  H      -3.170238     -1.924455      4.749901
  H      -3.129484      0.545614      5.130615
  H      -4.607518     -1.258422      0.725058
  H      -7.905694     -7.359023      5.024058
  H      -9.670482     -6.622173      6.623422
  H      -7.682100     -3.355524      3.491612
  H      -1.357412     -4.514652      6.507591
  H      -1.264504     -4.356021      9.001562
  H      -5.368390     -6.081120      6.769431
  N      -5.760925     -3.234539      5.236716
  N      -6.410012     -2.004357      4.805874
  H      -5.680711     -1.298885      4.662685
  H      -7.574989     -0.453659      5.469327
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.595355813247
  N      -4.030613     -3.184388      2.591916
  C      -3.809694     -3.749854      1.255356
  C      -3.165486     -5.115107      1.439419
  N      -3.953635     -5.912791      2.419727
  C      -5.091367     -6.617029      1.767671
  C      -6.195949     -6.846313      2.785085
  N      -6.438319     -5.571275      3.462787
  Mo     -4.829406     -4.449054      3.936962
  N      -3.474860     -5.358758      5.042362
  C      -2.427213     -6.109757      4.333984
  C      -3.087738     -6.853198      3.182367
  H      -1.948772     -6.834327      5.011516
  H      -1.633355     -5.436881      3.961831
  H      -3.733403     -7.640316      3.594674
  H      -2.347868     -7.324383      2.513047
  H      -7.106500     -7.186196      2.264184
  H      -5.916239     -7.645074      3.497706
  H      -5.472980     -5.959720      0.974257
  H      -4.746689     -7.557671      1.305187
  H      -3.131608     -3.108115      0.669130
  H      -4.751758     -3.831046      0.683369
  H      -2.159975     -4.973515      1.858341
  H      -3.070045     -5.662251      0.486349
  C      -3.926261     -1.800827      2.739474
  C      -3.489664     -1.268051      3.978535
  C      -3.451489      0.103922      4.209533
  C      -3.809162      0.964655      3.180295
  F      -3.775825      2.302637      3.406238
  C      -4.202032      0.486748      1.922247
  C      -4.619532      1.380285      0.832912
  O      -5.057942      1.003340     -0.249202
  C      -4.492157      2.908176      0.950661
  O      -3.521450      3.509696      0.562194
  C      -5.779569      3.592765      1.475599
  O      -6.687369      2.975324      1.951558
  Cl     -5.742143      5.358484      1.351320
  C      -4.257629     -0.902315      1.716818
  C      -7.653641     -5.390915      4.149116
  C      -8.273211     -6.349342      4.973315
  C      -9.253979     -5.949265      5.884009
  C      -9.551368     -4.596610      6.032646
  F     -10.362707     -4.218718      7.043766
  C      -8.958813     -3.625935      5.210883
  C      -8.906349     -2.187585      5.590610
  O      -9.855774     -1.499702      5.907896
  C      -7.468180     -1.551083      5.720844
  O      -6.154887     -3.630093      6.383460
  C      -7.076430     -1.596690      7.204198
  O      -7.737112     -1.877455      8.148742
  Cl     -5.410058     -0.787090      7.440570
  C      -8.135267     -4.081173      4.178575
  C      -3.374007     -5.281003      6.450002
  C      -2.210572     -4.786982      7.076019
  C      -2.134896     -4.666337      8.461329
  C      -3.229870     -5.046629      9.225689
  F      -3.163590     -4.894306     10.571580
  C      -4.395165     -5.566230      8.646470
  C      -5.564636     -5.982064      9.430975
  O      -6.643540     -6.319538      8.955700
  C      -5.493804     -6.143343     10.956055
  O      -5.035865     -7.134208     11.472594
  C      -6.185492     -5.003107     11.740623
  O      -6.460608     -3.950703     11.247502
  Cl     -6.447209     -5.391764     13.455305
  C      -4.447595     -5.676972      7.246842
  H      -3.192364     -1.958871      4.770075
  H      -3.138993      0.508491      5.171999
  H      -4.604127     -1.251440      0.743683
  H      -7.944231     -7.389546      4.965657
  H      -9.720666     -6.668849      6.557127
  H      -7.701248     -3.364154      3.488402
  H      -1.363760     -4.472439      6.463634
  H      -1.248783     -4.266084      8.953906
  H      -5.352112     -6.084434      6.796067
  N      -5.785844     -3.258963      5.232055
  N      -6.436180     -2.026246      4.813858
  H      -5.710668     -1.320013      4.661586
  H      -7.605919     -0.483776      5.487268
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.595562288938
  N      -4.048613     -3.195263      2.595704
  C      -3.814238     -3.751244      1.257587
  C      -3.169568     -5.117092      1.439659
  N      -3.963573     -5.920144      2.410824
  C      -5.096885     -6.621544      1.748398
  C      -6.208489     -6.855554      2.757059
  N      -6.456200     -5.583538      3.438998
  Mo     -4.848079     -4.465700      3.930620
  N      -3.488429     -5.370124      5.035933
  C      -2.442923     -6.125857      4.330021
  C      -3.102410     -6.863889      3.174554
  H      -1.971820     -6.855025      5.007938
  H      -1.643272     -5.456923      3.962752
  H      -3.751818     -7.649982      3.583051
  H      -2.361746     -7.336384      2.507027
  H      -7.114798     -7.192949      2.227133
  H      -5.934355     -7.657474      3.468195
  H      -5.473694     -5.960916      0.955445
  H      -4.749267     -7.560079      1.283781
  H      -3.132004     -3.104805      0.681727
  H      -4.751154     -3.831110      0.677100
  H      -2.167474     -4.975904      1.866882
  H      -3.066152     -5.659953      0.485000
  C      -3.937224     -1.813085      2.757729
  C      -3.505744     -1.293817      4.004005
  C      -3.459852      0.076050      4.246202
  C      -3.804780      0.947500      3.221686
  F      -3.765705      2.283079      3.459500
  C      -4.191764      0.482527      1.956858
  C      -4.589466      1.388171      0.870458
  O      -5.031762      1.024671     -0.214724
  C      -4.434056      2.912463      0.993891
  O      -3.442065      3.495087      0.630884
  C      -5.721263      3.621974      1.484025
  O      -6.648633      3.023570      1.946152
  Cl     -5.653031      5.385704      1.345072
  C      -4.255610     -0.904408      1.739900
  C      -7.675881     -5.408105      4.117427
  C      -8.307056     -6.374529      4.923863
  C      -9.294036     -5.982005      5.831094
  C      -9.588357     -4.630423      5.994620
  F     -10.406844     -4.262774      7.003719
  C      -8.985730     -3.651619      5.189824
  C      -8.933073     -2.218170      5.584934
  O      -9.883422     -1.532625      5.905167
  C      -7.495042     -1.583634      5.730553
  O      -6.189277     -3.673340      6.371530
  C      -7.110880     -1.645220      7.215025
  O      -7.776075     -1.936738      8.153067
  Cl     -5.446034     -0.839188      7.467825
  C      -8.154524     -4.097736      4.159337
  C      -3.371935     -5.265137      6.440712
  C      -2.207833     -4.745154      7.044091
  C      -2.118349     -4.596850      8.425800
  C      -3.200214     -4.975178      9.210027
  F      -3.120520     -4.795060     10.551493
  C      -4.365291     -5.519670      8.653715
  C      -5.520827     -5.933203      9.459442
  O      -6.602578     -6.287782      9.003405
  C      -5.428987     -6.075978     10.985173
  O      -4.947009     -7.052042     11.508027
  C      -6.135356     -4.941283     11.764532
  O      -6.426904     -3.895937     11.265739
  Cl     -6.387459     -5.323432     13.482105
  C      -4.431636     -5.658423      7.257199
  H      -3.218366     -1.993204      4.791574
  H      -3.152457      0.470597      5.214491
  H      -4.596779     -1.244462      0.761709
  H      -7.983085     -7.416159      4.905587
  H      -9.769795     -6.708738      6.490093
  H      -7.717269     -3.371210      3.481132
  H      -1.371335     -4.432993      6.416413
  H      -1.231945     -4.176505      8.900837
  H      -5.336402     -6.084953      6.825258
  N      -5.810954     -3.285390      5.228171
  N      -6.460067     -2.049719      4.823434
  H      -5.736502     -1.343322      4.664232
  H      -7.631215     -0.514089      5.506643
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.595797370671
  N      -4.067001     -3.207848      2.600893
  C      -3.817625     -3.753931      1.261383
  C      -3.173419     -5.120657      1.441065
  N      -3.974799     -5.929109      2.401914
  C      -5.102183     -6.628155      1.726918
  C      -6.222090     -6.866933      2.725238
  N      -6.476259     -5.597854      3.410491
  Mo     -4.870085     -4.484190      3.923504
  N      -3.506261     -5.383333      5.030560
  C      -2.461688     -6.141929      4.327275
  C      -3.118881     -6.875779      3.168097
  H      -1.997111     -6.874835      5.005951
  H      -1.657002     -5.476243      3.964738
  H      -3.771959     -7.661007      3.572336
  H      -2.376490     -7.349222      2.503159
  H      -7.123531     -7.202468      2.185898
  H      -5.953506     -7.671390      3.435490
  H      -5.472666     -5.964105      0.933874
  H      -4.750330     -7.564492      1.261069
  H      -3.130515     -3.102459      0.697426
  H      -4.748673     -3.831855      0.671359
  H      -2.174691     -4.981799      1.876799
  H      -3.062832     -5.658390      0.484351
  C      -3.949062     -1.827521      2.777585
  C      -3.525181     -1.322326      4.032176
  C      -3.471312      0.044996      4.286419
  C      -3.800542      0.927897      3.266646
  F      -3.755544      2.260892      3.518159
  C      -4.179308      0.477116      1.994346
  C      -4.558266      1.394472      0.910794
  O      -4.999011      1.043209     -0.178871
  C      -4.375198      2.914529      1.043031
  O      -3.365278      3.479818      0.702473
  C      -5.659253      3.644335      1.510162
  O      -6.604123      3.060515      1.954946
  Cl     -5.560337      5.406737      1.372867
  C      -4.250588     -0.907458      1.764795
  C      -7.700991     -5.425447      4.078979
  C      -8.346006     -6.398879      4.866250
  C      -9.340098     -6.013026      5.768448
  C      -9.630073     -4.662343      5.946205
  F     -10.457419     -4.303644      6.951245
  C      -9.015158     -3.676365      5.159278
  C      -8.963136     -2.248399      5.572284
  O      -9.915080     -1.565403      5.893601
  C      -7.524707     -1.618888      5.737527
  O      -6.226587     -3.719792      6.359018
  C      -7.150300     -1.698862      7.223759
  O      -7.822854     -2.001112      8.153162
  Cl     -5.486377     -0.900161      7.497861
  C      -8.174833     -4.113830      4.132635
  C      -3.371795     -5.246584      6.430911
  C      -2.206561     -4.700262      7.007677
  C      -2.100652     -4.521399      8.384798
  C      -3.166913     -4.896571      9.191613
  F      -3.071819     -4.687252     10.527595
  C      -4.332097     -5.467648      8.662233
  C      -5.470039     -5.879272      9.492999
  O      -6.554542     -6.255170      9.060583
  C      -5.354027     -6.000064     11.018647
  O      -4.847845     -6.959707     11.548897
  C      -6.073029     -4.868391     11.791123
  O      -6.382313     -3.832143     11.283927
  Cl     -6.307705     -5.236612     13.514135
  C      -4.415357     -5.636352      7.270192
  H      -3.249977     -2.030678      4.816022
  H      -3.170679      0.428349      5.261344
  H      -4.585432     -1.237338      0.780913
  H      -8.028164     -7.442171      4.837657
  H      -9.827065     -6.745557      6.412716
  H      -7.732262     -3.378850      3.467184
  H      -1.381780     -4.391542      6.362920
  H      -1.213224     -4.079956      8.838312
  H      -5.319738     -6.083787      6.859871
  N      -5.839220     -3.314746      5.223591
  N      -6.486024     -2.075962      4.832742
  H      -5.763625     -1.370098      4.667646
  H      -7.657116     -0.546666      5.524230
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.596051319822
  N      -4.083672     -3.221148      2.607313
  C      -3.819706     -3.758302      1.266753
  C      -3.177069     -5.126148      1.443717
  N      -3.986950     -5.939636      2.393684
  C      -5.107355     -6.636466      1.704466
  C      -6.236584     -6.879201      2.691249
  N      -6.497300     -5.612655      3.378472
  Mo     -4.893619     -4.503719      3.916266
  N      -3.527445     -5.398109      5.026625
  C      -2.482940     -6.158236      4.325943
  C      -3.136974     -6.889160      3.163382
  H      -2.023648     -6.893709      5.005780
  H      -1.673990     -5.495400      3.967334
  H      -3.793782     -7.673530      3.563077
  H      -2.392143     -7.363152      2.501565
  H      -7.133075     -7.213286      2.142881
  H      -5.973577     -7.685710      3.401190
  H      -5.469865     -5.968982      0.910657
  H      -4.750476     -7.570854      1.238612
  H      -3.127436     -3.102206      0.714815
  H      -4.744824     -3.833366      0.667206
  H      -2.181280     -4.991596      1.887284
  H      -3.060790     -5.658144      0.484511
  C      -3.959578     -1.843265      2.797356
  C      -3.546900     -1.351683      4.061427
  C      -3.485485      0.012798      4.327989
  C      -3.794827      0.907203      3.312115
  F      -3.742219      2.237657      3.577208
  C      -4.161361      0.470870      2.031647
  C      -4.520334      1.399303      0.949863
  O      -4.959025      1.059419     -0.143900
  C      -4.319183      2.915626      1.097248
  O      -3.295683      3.470461      0.781026
  C      -5.603032      3.654566      1.549949
  O      -6.561804      3.075725      1.970682
  Cl     -5.480752      5.417242      1.437417
  C      -4.240087     -0.911233      1.789419
  C      -7.727777     -5.440615      4.035202
  C      -8.388489     -6.419534      4.802563
  C      -9.391010     -6.039072      5.697499
  C      -9.675051     -4.688886      5.888172
  F     -10.512807     -4.337130      6.887009
  C      -9.045482     -3.697244      5.119724
  C      -8.994245     -2.275217      5.553752
  O      -9.947964     -1.594371      5.874081
  C      -7.554624     -1.654881      5.743609
  O      -6.267434     -3.770290      6.345343
  C      -7.192536     -1.757471      7.232074
  O      -7.876244     -2.069661      8.150157
  Cl     -5.528376     -0.971899      7.533537
  C      -8.194962     -4.126945      4.098797
  C      -3.373977     -5.227611      6.421198
  C      -2.207933     -4.653996      6.968008
  C      -2.083099     -4.443308      8.339436
  C      -3.130927     -4.815696      9.170739
  F      -3.019000     -4.577041     10.500362
  C      -4.295895     -5.414992      8.671931
  C      -5.411933     -5.826871      9.531120
  O      -6.501329     -6.220877      9.127069
  C      -5.270034     -5.918034     11.056095
  O      -4.740239     -6.858850     11.596704
  C      -6.001909     -4.786612     11.817384
  O      -6.331655     -3.763198     11.297154
  Cl     -6.213391     -5.130734     13.548379
  C      -4.398970     -5.614254      7.285558
  H      -3.286353     -2.068737      4.842453
  H      -3.193634      0.384504      5.310094
  H      -4.566324     -1.229850      0.798858
  H      -8.077679     -7.464659      4.764235
  H      -9.891557     -6.775655      6.326592
  H      -7.743760     -3.385917      3.446290
  H      -1.396907     -4.348239      6.304582
  H      -1.194451     -3.979888      8.767913
  H      -5.301780     -6.084368      6.898709
  N      -5.869750     -3.346152      5.218963
  N      -6.511450     -2.103321      4.843562
  H      -5.788968     -1.398469      4.675720
  H      -7.680545     -0.579279      5.543196
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.596308831446
  N      -4.100009     -3.234393      2.614205
  C      -3.822972     -3.763610      1.272727
  C      -3.181316     -5.132215      1.446386
  N      -3.999029     -5.951459      2.385318
  C      -5.111744     -6.646446      1.681360
  C      -6.250362     -6.893391      2.656196
  N      -6.517739     -5.629447      3.344915
  Mo     -4.917393     -4.525007      3.908908
  N      -3.549965     -5.414182      5.022907
  C      -2.504928     -6.175172      4.324693
  C      -3.155010     -6.903753      3.158615
  H      -2.049576     -6.912222      5.005759
  H      -1.692412     -5.514764      3.969344
  H      -3.815296     -7.687619      3.553460
  H      -2.407170     -7.377472      2.499989
  H      -7.142055     -7.226433      2.099496
  H      -5.992512     -7.702075      3.365625
  H      -5.466070     -5.975621      0.886665
  H      -4.749169     -7.578805      1.215943
  H      -3.126314     -3.103003      0.731853
  H      -4.742578     -3.835466      0.664484
  H      -2.188065     -5.001992      1.896684
  H      -3.059920     -5.657916      0.484357
  C      -3.970418     -1.859521      2.816755
  C      -3.571644     -1.381521      4.091094
  C      -3.504683     -0.020200      4.371129
  C      -3.792570      0.885867      3.359378
  F      -3.733347      2.213611      3.638236
  C      -4.144459      0.464221      2.070396
  C      -4.486515      1.404008      0.991955
  O      -4.910577      1.074649     -0.110417
  C      -4.261468      2.915817      1.153229
  O      -3.224880      3.455601      0.854389
  C      -5.538255      3.669157      1.602478
  O      -6.510335      3.099371      2.004624
  Cl     -5.386191      5.430922      1.515608
  C      -4.229576     -0.915188      1.814535
  C      -7.754425     -5.457386      3.989536
  C      -8.429998     -6.441357      4.737104
  C      -9.441924     -6.066507      5.623570
  C      -9.720737     -4.716888      5.826104
  F     -10.569437     -4.371659      6.817995
  C      -9.076572     -3.720022      5.076462
  C      -9.026856     -2.304237      5.533786
  O      -9.982576     -1.625791      5.852381
  C      -7.586299     -1.694567      5.751049
  O      -6.310735     -3.826484      6.330676
  C      -7.238095     -1.823493      7.241545
  O      -7.934509     -2.147053      8.146292
  Cl     -5.571476     -1.058647      7.574147
  C      -8.215411     -4.141617      4.061680
  C      -3.377982     -5.209986      6.410850
  C      -2.211869     -4.608074      6.925274
  C      -2.067553     -4.362970      8.289449
  C      -3.096370     -4.729654      9.145769
  F      -2.968296     -4.458204     10.467666
  C      -4.260796     -5.356798      8.680246
  C      -5.355290     -5.763314      9.568567
  O      -6.445951     -6.182969      9.194078
  C      -5.185345     -5.825950     11.091493
  O      -4.628816     -6.746891     11.639349
  C      -5.924891     -4.693805     11.845034
  O      -6.277681     -3.683991     11.313661
  Cl     -6.105622     -5.012805     13.584504
  C      -4.383713     -5.590858      7.301019
  H      -3.326408     -2.107119      4.869437
  H      -3.223150      0.339563      5.360680
  H      -4.545935     -1.221201      0.816714
  H      -8.124994     -7.487833      4.689407
  H      -9.955907     -6.806610      6.237537
  H      -7.753827     -3.396417      3.421684
  H      -1.415990     -4.306135      6.242043
  H      -1.178118     -3.877260      8.690678
  H      -5.284523     -6.083173      6.938562
  N      -5.902568     -3.381010      5.214768
  N      -6.537785     -2.133917      4.856682
  H      -5.815193     -1.429330      4.689367
  H      -7.705080     -0.615262      5.565923
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.596573745836
  N      -4.114909     -3.248054      2.620981
  C      -3.826890     -3.769308      1.278407
  C      -3.186126     -5.138898      1.448039
  N      -4.010591     -5.964314      2.375995
  C      -5.116460     -6.656435      1.658284
  C      -6.264086     -6.907193      2.621462
  N      -6.536858     -5.645969      3.312335
  Mo     -4.938852     -4.547916      3.901548
  N      -3.570706     -5.432463      5.017947
  C      -2.526126     -6.196048      4.322185
  C      -3.172823     -6.920354      3.151689
  H      -2.075524     -6.935544      5.003931
  H      -1.709307     -5.538684      3.970665
  H      -3.837206     -7.703402      3.541283
  H      -2.422565     -7.394055      2.495806
  H      -7.151256     -7.238063      2.056301
  H      -6.012336     -7.719010      3.329643
  H      -5.463150     -5.982128      0.863167
  H      -4.749165     -7.586837      1.192702
  H      -3.126222     -3.104816      0.747537
  H      -4.741626     -3.837081      0.662518
  H      -2.195312     -5.012326      1.904592
  H      -3.059272     -5.658155      0.483183
  C      -3.978206     -1.876638      2.836915
  C      -3.593127     -1.413478      4.121468
  C      -3.520285     -0.055608      4.416141
  C      -3.786379      0.862671      3.409408
  F      -3.719852      2.187277      3.701687
  C      -4.123677      0.456240      2.111837
  C      -4.445741      1.409073      1.038194
  O      -4.864528      1.093933     -0.070203
  C      -4.207104      2.917194      1.217357
  O      -3.160527      3.447527      0.937504
  C      -5.480433      3.679813      1.661140
  O      -6.462890      3.115962      2.046092
  Cl     -5.306941      5.440615      1.598767
  C      -4.216980     -0.919960      1.841432
  C      -7.779740     -5.474661      3.945117
  C      -8.469452     -6.464016      4.672241
  C      -9.490574     -6.095199      5.550518
  C      -9.764720     -4.746508      5.765900
  F     -10.624158     -4.408873      6.751194
  C      -9.106442     -3.743992      5.036298
  C      -9.057051     -2.334931      5.517059
  O     -10.014021     -1.658168      5.834598
  C      -7.616065     -1.735714      5.761496
  O      -6.353794     -3.885716      6.314534
  C      -7.282774     -1.892448      7.253173
  O      -7.991575     -2.228014      8.144004
  Cl     -5.614534     -1.148160      7.617020
  C      -8.235135     -4.157068      4.026718
  C      -3.381148     -5.195553      6.398928
  C      -2.215740     -4.565235      6.880091
  C      -2.053172     -4.284520      8.235367
  C      -3.063619     -4.643485      9.116046
  F      -2.920206     -4.337146     10.428828
  C      -4.226326     -5.297692      8.684670
  C      -5.300741     -5.695505      9.600740
  O      -6.395471     -6.129409      9.255360
  C      -5.105734     -5.722334     11.121383
  O      -4.525862     -6.622441     11.679572
  C      -5.852100     -4.586427     11.862710
  O      -6.223443     -3.590641     11.317873
  Cl     -6.006978     -4.875157     13.610321
  C      -4.367729     -5.568464      7.313761
  H      -3.363016     -2.147989      4.896247
  H      -3.248957      0.291802      5.412952
  H      -4.522751     -1.212415      0.836201
  H      -8.169511     -7.511450      4.614488
  H     -10.017089     -6.839578      6.148494
  H      -7.762544     -3.407903      3.399451
  H      -1.435193     -4.268973      6.177009
  H      -1.164037     -3.777212      8.609589
  H      -5.266111     -6.082012      6.976182
  N      -5.934198     -3.417691      5.211007
  N      -6.561777     -2.166122      4.871801
  H      -5.839522     -1.461014      4.706172
  H      -7.728174     -0.652882      5.592998
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.596862063332
  N      -4.126728     -3.261703      2.629318
  C      -3.830306     -3.775873      1.285664
  C      -3.190785     -5.146624      1.450375
  N      -4.021646     -5.979020      2.366256
  C      -5.120908     -6.666841      1.634311
  C      -6.278502     -6.920766      2.584680
  N      -6.555269     -5.662594      3.278583
  Mo     -4.959045     -4.573841      3.894704
  N      -3.593126     -5.455193      5.013210
  C      -2.548964     -6.222293      4.320529
  C      -3.191367     -6.940089      3.143650
  H      -2.103390     -6.964721      5.002408
  H      -1.727422     -5.567888      3.974011
  H      -3.861013     -7.722188      3.526307
  H      -2.438257     -7.413504      2.490901
  H      -7.161171     -7.247675      2.010189
  H      -6.035075     -7.737469      3.290460
  H      -5.459407     -5.988709      0.838898
  H      -4.749467     -7.595379      1.168287
  H      -3.125701     -3.108642      0.763248
  H      -4.740809     -3.837871      0.663027
  H      -2.202376     -5.023400      1.913045
  H      -3.057536     -5.658629      0.482407
  C      -3.982015     -1.894271      2.858378
  C      -3.613171     -1.446024      4.153490
  C      -3.536039     -0.091774      4.463581
  C      -3.779446      0.838423      3.461918
  F      -3.705648      2.159801      3.765973
  C      -4.099697      0.446574      2.155397
  C      -4.399218      1.413477      1.087768
  O      -4.804433      1.113949     -0.029975
  C      -4.156269      2.919183      1.288062
  O      -3.103815      3.445138      1.023050
  C      -5.426908      3.687864      1.730028
  O      -6.418525      3.127985      2.097192
  Cl     -5.235915      5.447562      1.696504
  C      -4.200760     -0.926043      1.869703
  C      -7.805547     -5.491923      3.898103
  C      -8.509566     -6.486603      4.603372
  C      -9.540998     -6.124012      5.472019
  C      -9.810107     -4.776419      5.701142
  F     -10.681427     -4.447170      6.678929
  C      -9.136887     -3.768007      4.993940
  C      -9.086635     -2.366501      5.500282
  O     -10.044191     -1.690317      5.816084
  C      -7.645891     -1.778929      5.774640
  O      -6.396638     -3.949689      6.297896
  C      -7.331121     -1.966729      7.266900
  O      -8.053583     -2.316423      8.141327
  Cl     -5.662733     -1.243665      7.665747
  C      -8.255300     -4.172122      3.989063
  C      -3.386632     -5.185298      6.386568
  C      -2.221847     -4.525667      6.830923
  C      -2.041051     -4.204932      8.174480
  C      -3.032946     -4.552554      9.080485
  F      -2.873279     -4.207182     10.382032
  C      -4.193065     -5.233851      8.687203
  C      -5.247515     -5.618873      9.632000
  O      -6.344295     -6.069380      9.316874
  C      -5.024283     -5.605460     11.149059
  O      -4.416750     -6.482226     11.715156
  C      -5.773779     -4.465592     11.880763
  O      -6.170214     -3.486378     11.324149
  Cl     -5.892433     -4.721510     13.637049
  C      -4.353432     -5.546093      7.326494
  H      -3.397836     -2.188744      4.924743
  H      -3.276219      0.243767      5.467522
  H      -4.493262     -1.204045      0.856447
  H      -8.213543     -7.534511      4.535115
  H     -10.080230     -6.873210      6.052350
  H      -7.768616     -3.420989      3.374624
  H      -1.457521     -4.239034      6.106480
  H      -1.152801     -3.676241      8.520028
  H      -5.249438     -6.079933      7.015724
  N      -5.966764     -3.458374      5.208533
  N      -6.584000     -2.201482      4.890142
  H      -5.862460     -1.495404      4.730447
  H      -7.750253     -0.692576      5.625673
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597132590041
  N      -4.138612     -3.275954      2.637829
  C      -3.832857     -3.781478      1.293122
  C      -3.194775     -5.153840      1.453463
  N      -4.031877     -5.992389      2.357719
  C      -5.125931     -6.674855      1.613300
  C      -6.292707     -6.931100      2.551781
  N      -6.572643     -5.675908      3.249843
  Mo     -4.976890     -4.598003      3.889325
  N      -3.612082     -5.477947      5.009297
  C      -2.569540     -6.249861      4.319574
  C      -3.208908     -6.959071      3.135989
  H      -2.131680     -6.997339      5.001021
  H      -1.741972     -5.599248      3.979754
  H      -3.884178     -7.739774      3.511811
  H      -2.454043     -7.433351      2.485955
  H      -7.170664     -7.252682      1.967061
  H      -6.058559     -7.752852      3.254891
  H      -5.456935     -5.992718      0.818162
  H      -4.751996     -7.601727      1.145923
  H      -3.123980     -3.111670      0.779852
  H      -4.738851     -3.838416      0.663479
  H      -2.209491     -5.033224      1.923556
  H      -3.054007     -5.659449      0.483144
  C      -3.986141     -1.911919      2.881558
  C      -3.628132     -1.478643      4.184751
  C      -3.545420     -0.127953      4.509006
  C      -3.772386      0.813445      3.513900
  F      -3.693509      2.131281      3.830608
  C      -4.081341      0.435766      2.200219
  C      -4.361338      1.415689      1.139651
  O      -4.756851      1.131312      0.014402
  C      -4.109303      2.917692      1.356027
  O      -3.049634      3.436308      1.105203
  C      -5.376782      3.696692      1.788331
  O      -6.378476      3.145405      2.140919
  Cl     -5.168081      5.454472      1.765961
  C      -4.188906     -0.933208      1.899885
  C      -7.828783     -5.506731      3.857174
  C      -8.546677     -6.506701      4.540678
  C      -9.586653     -6.149783      5.401374
  C      -9.850398     -4.803844      5.645954
  F     -10.731647     -4.483300      6.617793
  C      -9.163313     -3.789656      4.960761
  C      -9.111203     -2.395782      5.488014
  O     -10.068788     -1.719175      5.802905
  C      -7.671077     -1.818838      5.788277
  O      -6.434866     -4.007164      6.282965
  C      -7.373095     -2.033302      7.280348
  O      -8.106203     -2.395665      8.140621
  Cl     -5.706132     -1.326164      7.708049
  C      -8.272983     -4.185648      3.959711
  C      -3.388308     -5.173679      6.373719
  C      -2.227103     -4.484406      6.783100
  C      -2.032483     -4.124627      8.114326
  C      -3.006461     -4.463074      9.043690
  F      -2.834177     -4.077915     10.332484
  C      -4.160163     -5.173361      8.686002
  C      -5.195623     -5.548809      9.655684
  O      -6.289287     -6.023643      9.367744
  C      -4.948283     -5.496935     11.168099
  O      -4.309389     -6.346280     11.741701
  C      -5.713875     -4.361323     11.888989
  O      -6.140816     -3.401771     11.320597
  Cl     -5.802330     -4.587573     13.651558
  C      -4.335222     -5.524946      7.336525
  H      -3.424215     -2.229522      4.951185
  H      -3.293958      0.196330      5.518796
  H      -4.472047     -1.199047      0.880771
  H      -8.255558     -7.555182      4.461229
  H     -10.137639     -6.904123      5.963735
  H      -7.775521     -3.430468      3.358626
  H      -1.478324     -4.205778      6.039521
  H      -1.148457     -3.572732      8.433399
  H      -5.227155     -6.079987      7.052850
  N      -5.994198     -3.495354      5.207110
  N      -6.602961     -2.234122      4.907416
  H      -5.881828     -1.527031      4.749968
  H      -7.768546     -0.729718      5.656326
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597374421899
  N      -4.147719     -3.290465      2.649207
  C      -3.833046     -3.785989      1.303284
  C      -3.197022     -5.160458      1.457980
  N      -4.040736     -6.005513      2.349226
  C      -5.130610     -6.680486      1.592333
  C      -6.307242     -6.938292      2.518190
  N      -6.589115     -5.686838      3.222980
  Mo     -4.992820     -4.623424      3.885474
  N      -3.630721     -5.505514      5.005802
  C      -2.589947     -6.282214      4.319262
  C      -3.226073     -6.979462      3.126981
  H      -2.162312     -7.037238      4.999022
  H      -1.755201     -5.635391      3.989462
  H      -3.908074     -7.758721      3.493977
  H      -2.469623     -7.454777      2.479661
  H      -7.180030     -7.251493      1.921185
  H      -6.085182     -7.766831      3.217192
  H      -5.453497     -5.993444      0.798077
  H      -4.755607     -7.605700      1.122509
  H      -3.119453     -3.114183      0.799260
  H      -4.734575     -3.837030      0.666676
  H      -2.215513     -5.042657      1.936894
  H      -3.047332     -5.658732      0.485171
  C      -3.988174     -1.929431      2.908247
  C      -3.639721     -1.509890      4.217939
  C      -3.551814     -0.162376      4.554549
  C      -3.765311      0.788685      3.565666
  F      -3.681528      2.103129      3.893581
  C      -4.064544      0.423527      2.245810
  C      -4.322967      1.414943      1.191241
  O      -4.702010      1.143883      0.056861
  C      -4.068268      2.913892      1.422679
  O      -3.004503      3.430209      1.183275
  C      -5.335031      3.698691      1.845120
  O      -6.346188      3.153595      2.179904
  Cl     -5.113167      5.454874      1.837630
  C      -4.177412     -0.942013      1.932448
  C      -7.851295     -5.518996      3.817013
  C      -8.584283     -6.524254      4.476524
  C      -9.632467     -6.172553      5.329290
  C      -9.889285     -4.828839      5.592074
  F     -10.780088     -4.517793      6.558390
  C      -9.187009     -3.808588      4.931595
  C      -9.131418     -2.423402      5.479030
  O     -10.088419     -1.744686      5.792368
  C      -7.692532     -1.858343      5.805269
  O      -6.465611     -4.063413      6.272285
  C      -7.413001     -2.098752      7.296369
  O      -8.155564     -2.475385      8.142105
  Cl     -5.750693     -1.400855      7.752508
  C      -8.288658     -4.196585      3.933803
  C      -3.390166     -5.165969      6.359375
  C      -2.234486     -4.446268      6.732988
  C      -2.028919     -4.045246      8.050000
  C      -2.985080     -4.373236      9.002625
  F      -2.802333     -3.943611     10.275760
  C      -4.129719     -5.113752      8.681758
  C      -5.146169     -5.479861      9.676030
  O      -6.232607     -5.985037      9.415501
  C      -4.874447     -5.385489     11.182623
  O      -4.201517     -6.203847     11.762623
  C      -5.658025     -4.256695     11.893715
  O      -6.124479     -3.322542     11.314343
  Cl     -5.707576     -4.448846     13.662090
  C      -4.317277     -5.506428      7.344848
  H      -3.445222     -2.267581      4.979935
  H      -3.307336      0.152255      5.569132
  H      -4.451479     -1.198151      0.908521
  H      -8.299078     -7.573295      4.384596
  H     -10.195424     -6.932454      5.871969
  H      -7.779671     -3.437352      3.347348
  H      -1.501526     -4.176203      5.970597
  H      -1.151672     -3.468446      8.342679
  H      -5.204843     -6.082586      7.090558
  N      -6.017366     -3.533790      5.208925
  N      -6.617711     -2.266955      4.927888
  H      -5.896857     -1.559605      4.775034
  H      -7.781824     -0.766780      5.691210
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597553453223
  N      -4.161083     -3.302948      2.658428
  C      -3.834635     -3.789370      1.311847
  C      -3.199448     -5.164977      1.462647
  N      -4.049865     -6.015166      2.342949
  C      -5.134778     -6.684992      1.574265
  C      -6.318653     -6.945623      2.489945
  N      -6.604274     -5.697549      3.199447
  Mo     -5.009172     -4.642822      3.882043
  N      -3.646100     -5.524893      5.003555
  C      -2.607292     -6.304914      4.318303
  C      -3.241636     -6.994723      3.121028
  H      -2.187722     -7.065290      4.997443
  H      -1.766600     -5.662572      3.994645
  H      -3.928098     -7.772829      3.482082
  H      -2.484270     -7.470591      2.475163
  H      -7.187306     -7.254164      1.884539
  H      -6.103077     -7.777952      3.186401
  H      -5.450347     -5.993547      0.780902
  H      -4.757511     -7.608488      1.102940
  H      -3.117276     -3.113835      0.818462
  H      -4.730985     -3.837215      0.667771
  H      -2.221271     -5.050697      1.949108
  H      -3.043528     -5.657262      0.487802
  C      -3.997218     -1.944838      2.930366
  C      -3.656394     -1.537472      4.245904
  C      -3.562829     -0.193169      4.593507
  C      -3.762124      0.767061      3.610651
  F      -3.672918      2.078256      3.950816
  C      -4.053031      0.414543      2.285838
  C      -4.295097      1.414976      1.235410
  O      -4.669704      1.154162      0.097254
  C      -4.022165      2.908592      1.477960
  O      -2.947935      3.411533      1.257386
  C      -5.284946      3.705766      1.888395
  O      -6.306590      3.170670      2.206801
  Cl     -5.041487      5.459207      1.894951
  C      -4.171988     -0.947916      1.961300
  C      -7.870233     -5.530816      3.783985
  C      -8.615416     -6.540823      4.422652
  C      -9.669452     -6.194956      5.270502
  C      -9.921348     -4.853499      5.549193
  F     -10.819406     -4.550324      6.511323
  C      -9.207513     -3.828432      4.908534
  C      -9.151497     -2.451189      5.475766
  O     -10.108896     -1.772979      5.789313
  C      -7.712661     -1.897760      5.823068
  O      -6.495719     -4.115147      6.262322
  C      -7.443239     -2.162291      7.312582
  O      -8.193051     -2.550508      8.146696
  Cl     -5.781914     -1.478635      7.790630
  C      -8.302005     -4.207948      3.914290
  C      -3.389222     -5.152761      6.346003
  C      -2.240125     -4.408413      6.688682
  C      -2.024320     -3.974562      7.993925
  C      -2.963533     -4.294543      8.965889
  F      -2.772517     -3.832712     10.226247
  C      -4.100297     -5.060003      8.676035
  C      -5.098550     -5.418662      9.690750
  O      -6.181266     -5.944215      9.455320
  C      -4.811320     -5.290207     11.191187
  O      -4.113237     -6.080977     11.779567
  C      -5.616635     -4.167285     11.887655
  O      -6.108278     -3.254688     11.294438
  Cl     -5.648038     -4.327243     13.659611
  C      -4.298012     -5.485702      7.351317
  H      -3.472153     -2.302082      5.003526
  H      -3.324302      0.111446      5.612580
  H      -4.439840     -1.194892      0.933449
  H      -8.336102     -7.590319      4.318667
  H     -10.242396     -6.958554      5.797360
  H      -7.786426     -3.442669      3.341725
  H      -1.520881     -4.144173      5.911326
  H      -1.152309     -3.378100      8.261893
  H      -5.179678     -6.080632      7.121748
  N      -6.038459     -3.566277      5.210660
  N      -6.634847     -2.296624      4.947855
  H      -5.914253     -1.588206      4.795035
  H      -7.796521     -0.803935      5.724485
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597699608998
  N      -4.165549     -3.313315      2.672106
  C      -3.830801     -3.790862      1.324794
  C      -3.197604     -5.168263      1.470217
  N      -4.054834     -6.023524      2.338056
  C      -5.138176     -6.683814      1.558848
  C      -6.331070     -6.943217      2.463332
  N      -6.616044     -5.699126      3.181643
  Mo     -5.018714     -4.661989      3.882394
  N      -3.659618     -5.552483      5.002310
  C      -2.622673     -6.336135      4.319830
  C      -3.255002     -7.011993      3.113535
  H      -2.216511     -7.106582      4.996153
  H      -1.773452     -5.698656      4.009118
  H      -3.948253     -7.788671      3.464829
  H      -2.497198     -7.488794      2.468939
  H      -7.195413     -7.240102      1.845948
  H      -6.129001     -7.782764      3.154946
  H      -5.444477     -5.987157      0.766491
  H      -4.762612     -7.606755      1.085149
  H      -3.109138     -3.114047      0.839583
  H      -4.723111     -3.833984      0.674658
  H      -2.223731     -5.057365      1.966218
  H      -3.033077     -5.653411      0.493229
  C      -3.999067     -1.956506      2.954036
  C      -3.661648     -1.555131      4.271411
  C      -3.562823     -0.211997      4.622716
  C      -3.755004      0.751878      3.642096
  F      -3.661423      2.061483      3.987240
  C      -4.042233      0.404692      2.315088
  C      -4.266297      1.408642      1.264379
  O      -4.626627      1.151766      0.120521
  C      -3.991674      2.900259      1.511742
  O      -2.915817      3.402868      1.296913
  C      -5.255935      3.698880      1.913325
  O      -6.284311      3.166992      2.214823
  Cl     -5.005546      5.451413      1.932104
  C      -4.165673     -0.956248      1.986493
  C      -7.886637     -5.531589      3.754913
  C      -8.646498     -6.546001      4.369273
  C      -9.705055     -6.204512      5.213273
  C      -9.948030     -4.866042      5.512572
  F     -10.852298     -4.571754      6.471796
  C      -9.219974     -3.835838      4.896089
  C      -9.158382     -2.468353      5.482042
  O     -10.113772     -1.785867      5.794314
  C      -7.720041     -1.931099      5.851316
  O      -6.509538     -4.163805      6.262032
  C      -7.463973     -2.220915      7.337579
  O      -8.219100     -2.623548      8.159732
  Cl     -5.806762     -1.542513      7.836666
  C      -8.309303     -4.207508      3.903568
  C      -3.391276     -5.146830      6.331579
  C      -2.256756     -4.368343      6.645504
  C      -2.040930     -3.896700      7.937240
  C      -2.962637     -4.214696      8.927285
  F      -2.771383     -3.712596     10.171757
  C      -4.080940     -5.016722      8.668291
  C      -5.058980     -5.378925      9.702730
  O      -6.125971     -5.944809      9.491368
  C      -4.754347     -5.210258     11.196361
  O      -4.014185     -5.961072     11.785696
  C      -5.596919     -4.113432     11.890219
  O      -6.146651     -3.237763     11.293139
  Cl     -5.578938     -4.240533     13.664868
  C      -4.280832     -5.478345      7.355683
  H      -3.481460     -2.321884      5.027748
  H      -3.325887      0.088808      5.643342
  H      -4.428817     -1.201365      0.957113
  H      -8.375124     -7.596038      4.251404
  H     -10.288320     -6.972495      5.722140
  H      -7.782229     -3.437986      3.347041
  H      -1.551540     -4.105744      5.854747
  H      -1.182492     -3.271670      8.183434
  H      -5.151296     -6.099416      7.153207
  N      -6.048616     -3.599088      5.220914
  N      -6.638217     -2.322379      4.977824
  H      -5.916586     -1.614611      4.833039
  H      -7.794387     -0.835099      5.771992
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597770316883
  N      -4.177186     -3.317537      2.680763
  C      -3.832866     -3.789192      1.333268
  C      -3.198919     -5.166532      1.475712
  N      -4.060536     -6.026458      2.334632
  C      -5.140647     -6.681698      1.546363
  C      -6.338262     -6.944435      2.443593
  N      -6.625473     -5.704169      3.167557
  Mo     -5.029139     -4.673313      3.882377
  N      -3.668072     -5.563787      5.000356
  C      -2.633119     -6.350094      4.318315
  C      -3.265193     -7.020000      3.108442
  H      -2.232889     -7.124653      4.993679
  H      -1.779130     -5.716717      4.012155
  H      -3.961518     -7.795856      3.455448
  H      -2.507471     -7.496432      2.463478
  H      -7.200315     -7.236939      1.820913
  H      -6.140178     -7.787977      3.131538
  H      -5.441623     -5.980835      0.755694
  H      -4.763696     -7.602950      1.070489
  H      -3.109101     -3.108947      0.856065
  H      -4.720971     -3.830135      0.677387
  H      -2.227639     -5.057697      1.977139
  H      -3.029440     -5.646682      0.497085
  C      -4.010672     -1.962409      2.969098
  C      -3.682696     -1.566176      4.290726
  C      -3.582315     -0.224410      4.647116
  C      -3.760853      0.743463      3.667786
  F      -3.663324      2.051682      4.017289
  C      -4.037966      0.401648      2.337424
  C      -4.245155      1.409227      1.286299
  O      -4.604719      1.157604      0.141074
  C      -3.944986      2.896232      1.533534
  O      -2.854615      3.375215      1.340166
  C      -5.200914      3.721548      1.907117
  O      -6.243751      3.210747      2.194724
  Cl     -4.916656      5.469123      1.922660
  C      -4.166546     -0.957731      2.004362
  C      -7.898669     -5.539461      3.736039
  C      -8.665758     -6.559529      4.331687
  C      -9.728136     -6.226302      5.174243
  C      -9.968328     -4.891141      5.490639
  F     -10.876953     -4.606891      6.448790
  C      -9.233899     -3.855203      4.891734
  C      -9.172285     -2.495375      5.497640
  O     -10.127611     -1.815157      5.814391
  C      -7.733835     -1.966328      5.879955
  O      -6.527041     -4.207022      6.259221
  C      -7.480325     -2.278064      7.362764
  O      -8.238366     -2.690379      8.177419
  Cl     -5.821542     -1.612603      7.874168
  C      -8.318432     -4.215927      3.899623
  C      -3.391285     -5.138046      6.322149
  C      -2.264612     -4.340348      6.614494
  C      -2.044305     -3.846321      7.897292
  C      -2.953368     -4.161095      8.899675
  F      -2.759780     -3.636898     10.134551
  C      -4.063059     -4.982129      8.662432
  C      -5.028659     -5.340143      9.709501
  O      -6.093251     -5.916574      9.514565
  C      -4.715793     -5.149980     11.198353
  O      -3.955912     -5.879273     11.789596
  C      -5.576470     -4.063541     11.886978
  O      -6.146159     -3.203975     11.285237
  Cl     -5.547680     -4.174851     13.662847
  C      -4.267064     -5.467055      7.359062
  H      -3.511007     -2.335837      5.046405
  H      -3.351989      0.071931      5.670566
  H      -4.422091     -1.198306      0.971953
  H      -8.397720     -7.608880      4.200802
  H     -10.317394     -6.998806      5.669181
  H      -7.786706     -3.440340      3.356183
  H      -1.568432     -4.081380      5.814504
  H      -1.191576     -3.207070      8.126227
  H      -5.130138     -6.103114      7.172767
  N      -6.062157     -3.624107      5.228547
  N      -6.650966     -2.346071      5.004514
  H      -5.931352     -1.635490      4.861670
  H      -7.806562     -0.868994      5.815862
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597826121813
  N      -4.183012     -3.308933      2.684896
  C      -3.833641     -3.780151      1.338237
  C      -3.197541     -5.156043      1.481588
  N      -4.059913     -6.017583      2.337705
  C      -5.140297     -6.670301      1.547477
  C      -6.338425     -6.934797      2.443589
  N      -6.625894     -5.696739      3.171546
  Mo     -5.029526     -4.667254      3.887529
  N      -3.666773     -5.559915      5.002108
  C      -2.632369     -6.346689      4.320366
  C      -3.265074     -7.013449      3.108798
  H      -2.235495     -7.123881      4.994769
  H      -1.775894     -5.715073      4.017633
  H      -3.961854     -7.789637      3.454100
  H      -2.507970     -7.488741      2.462262
  H      -7.200455     -7.225018      1.819799
  H      -6.140930     -7.780403      3.129169
  H      -5.440150     -5.967624      0.758044
  H      -4.763832     -7.590916      1.069966
  H      -3.109900     -3.098288      0.863323
  H      -4.719804     -3.822340      0.679834
  H      -2.227952     -5.045880      1.985939
  H      -3.024724     -5.635259      0.503067
  C      -4.022983     -1.951960      2.969025
  C      -3.701214     -1.547957      4.289856
  C      -3.603954     -0.203939      4.639006
  C      -3.777064      0.758393      3.653123
  F      -3.680996      2.068664      3.994974
  C      -4.047321      0.408777      2.323450
  C      -4.240540      1.409647      1.263280
  O      -4.602759      1.152798      0.120014
  C      -3.911916      2.893504      1.492966
  O      -2.806401      3.343683      1.318000
  C      -5.157147      3.754304      1.819709
  O      -6.217147      3.272846      2.094436
  Cl     -4.833559      5.495215      1.807166
  C      -4.176746     -0.952463      1.998550
  C      -7.899057     -5.536349      3.742134
  C      -8.664597     -6.561472      4.331045
  C      -9.726320     -6.235608      5.177369
  C      -9.967945     -4.903031      5.503505
  F     -10.875607     -4.626611      6.464868
  C      -9.235949     -3.862188      4.910486
  C      -9.175128     -2.505570      5.523988
  O     -10.130533     -1.828050      5.845902
  C      -7.736550     -1.975707      5.904653
  O      -6.525527     -4.215774      6.267195
  C      -7.475947     -2.293479      7.384770
  O      -8.228841     -2.711405      8.201229
  Cl     -5.817346     -1.621857      7.890741
  C      -8.320582     -4.214540      3.915231
  C      -3.392745     -5.133461      6.324233
  C      -2.274153     -4.324992      6.617400
  C      -2.058464     -3.831331      7.901260
  C      -2.962861     -4.158256      8.903887
  F      -2.773548     -3.635324     10.139826
  C      -4.063708     -4.991195      8.666025
  C      -5.024015     -5.363530      9.712815
  O      -6.083193     -5.949654      9.516862
  C      -4.709998     -5.181168     11.202361
  O      -3.931676     -5.899573     11.782925
  C      -5.592782     -4.122690     11.906677
  O      -6.185234     -3.269905     11.317800
  Cl     -5.553706     -4.254051     13.681258
  C      -4.263431     -5.475009      7.361549
  H      -3.531527     -2.313163      5.050527
  H      -3.378134      0.098400      5.661722
  H      -4.426078     -1.199258      0.966097
  H      -8.395703     -7.609634      4.192698
  H     -10.313972     -7.012268      5.667704
  H      -7.790076     -3.433869      3.378068
  H      -1.579638     -4.058683      5.818328
  H      -1.211817     -3.184302      8.131001
  H      -5.118933     -6.120973      7.174575
  N      -6.062455     -3.625017      5.239661
  N      -6.655402     -2.347591      5.023947
  H      -5.938660     -1.633666      4.881728
  H      -7.812209     -0.878142      5.846698
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597871545733
  N      -4.189315     -3.301145      2.691871
  C      -3.832645     -3.769904      1.345684
  C      -3.195378     -5.144781      1.488038
  N      -4.060045     -6.009512      2.337914
  C      -5.139742     -6.656581      1.542204
  C      -6.339948     -6.924587      2.434240
  N      -6.627424     -5.691159      3.169687
  Mo     -5.031977     -4.664455      3.891661
  N      -3.668318     -5.561239      5.001585
  C      -2.635265     -6.349031      4.319978
  C      -3.268085     -7.009890      3.105100
  H      -2.243219     -7.130491      4.992405
  H      -1.774982     -5.720020      4.022749
  H      -3.966718     -7.785792      3.447183
  H      -2.511651     -7.484091      2.456953
  H      -7.201444     -7.209663      1.807344
  H      -6.144990     -7.774864      3.114807
  H      -5.436773     -5.949648      0.755598
  H      -4.763621     -7.575483      1.061101
  H      -3.107503     -3.085769      0.876253
  H      -4.715574     -3.810663      0.682860
  H      -2.227837     -5.035067      1.996300
  H      -3.018286     -5.620746      0.508615
  C      -4.034901     -1.942586      2.972802
  C      -3.719460     -1.532371      4.293310
  C      -3.622384     -0.186763      4.636363
  C      -3.788842      0.770940      3.644875
  F      -3.693135      2.083003      3.979474
  C      -4.053126      0.414870      2.315738
  C      -4.235768      1.411117      1.249560
  O      -4.598918      1.151744      0.107246
  C      -3.881328      2.891087      1.467674
  O      -2.762583      3.314545      1.312034
  C      -5.114384      3.783855      1.754746
  O      -6.190187      3.329906      2.014642
  Cl     -4.752102      5.516994      1.724106
  C      -4.184412     -0.947594      1.997134
  C      -7.900813     -5.537205      3.742586
  C      -8.666155     -6.569621      4.318468
  C      -9.728684     -6.254628      5.168079
  C      -9.971419     -4.926249      5.509972
  F     -10.880029     -4.661832      6.473776
  C      -9.240193     -3.878156      4.929209
  C      -9.182198     -2.526740      5.555547
  O     -10.138513     -1.856182      5.888492
  C      -7.744357     -1.994068      5.933943
  O      -6.514029     -4.227715      6.281441
  C      -7.475590     -2.318668      7.410950
  O      -8.221337     -2.747609      8.228070
  Cl     -5.819939     -1.634713      7.913640
  C      -8.323505     -4.217902      3.930669
  C      -3.396028     -5.136076      6.324972
  C      -2.278671     -4.324846      6.615057
  C      -2.061566     -3.830294      7.898343
  C      -2.962822     -4.159174      8.902839
  F      -2.773347     -3.633952     10.137729
  C      -4.061522     -4.996319      8.668404
  C      -5.019776     -5.368640      9.716768
  O      -6.078251     -5.957048      9.523562
  C      -4.706924     -5.179986     11.205710
  O      -3.921575     -5.890390     11.786759
  C      -5.598390     -4.128656     11.910260
  O      -6.195811     -3.278380     11.323285
  Cl     -5.558848     -4.262164     13.685253
  C      -4.262520     -5.481900      7.364439
  H      -3.552934     -2.293775      5.058550
  H      -3.400572      0.120314      5.658553
  H      -4.428592     -1.198663      0.964502
  H      -8.397167     -7.616009      4.167611
  H     -10.316279     -7.037423      5.648593
  H      -7.794075     -3.430241      3.403300
  H      -1.585734     -4.057374      5.815042
  H      -1.215937     -3.181022      8.125481
  H      -5.114933     -6.132269      7.178882
  N      -6.062819     -3.632212      5.252459
  N      -6.664337     -2.355431      5.046759
  H      -5.952637     -1.637712      4.904658
  H      -7.824126     -0.896585      5.883599
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597902061112
  N      -4.195161     -3.293853      2.694376
  C      -3.832366     -3.763668      1.349981
  C      -3.194132     -5.137595      1.495567
  N      -4.060463     -6.003326      2.342193
  C      -5.138607     -6.648234      1.542968
  C      -6.340854     -6.916598      2.431807
  N      -6.629107     -5.684247      3.168417
  Mo     -5.034219     -4.658848      3.894880
  N      -3.670735     -5.556345      5.004482
  C      -2.638745     -6.347266      4.325960
  C      -3.270802     -7.005440      3.109317
  H      -2.251028     -7.130213      4.999253
  H      -1.775274     -5.721148      4.031777
  H      -3.971006     -7.780439      3.450142
  H      -2.514418     -7.480116      2.461479
  H      -7.201251     -7.200283      1.802760
  H      -6.147987     -7.768181      3.111406
  H      -5.433368     -5.940123      0.756696
  H      -4.761995     -7.566764      1.061538
  H      -3.105391     -3.079247      0.883869
  H      -4.712315     -3.804503      0.683171
  H      -2.228429     -5.026583      2.007043
  H      -3.012829     -5.613397      0.516755
  C      -4.045946     -1.933769      2.971243
  C      -3.736250     -1.518684      4.291733
  C      -3.639160     -0.172164      4.630604
  C      -3.800184      0.782322      3.635011
  F      -3.707893      2.095483      3.965322
  C      -4.058345      0.421083      2.305959
  C      -4.234824      1.414248      1.236485
  O      -4.609655      1.155994      0.097641
  C      -3.850757      2.888163      1.441388
  O      -2.718184      3.281016      1.305502
  C      -5.067111      3.816343      1.683479
  O      -6.156927      3.395041      1.939753
  Cl     -4.663732      5.539104      1.609709
  C      -4.189658     -0.942352      1.991195
  C      -7.902471     -5.535382      3.742856
  C      -8.666633     -6.572940      4.311161
  C      -9.730962     -6.265447      5.161367
  C      -9.976686     -4.939678      5.511328
  F     -10.887440     -4.683055      6.475195
  C      -9.246290     -3.886830      4.938352
  C      -9.190733     -2.539247      5.573510
  O     -10.147912     -1.873923      5.914057
  C      -7.753443     -2.005136      5.952885
  O      -6.518524     -4.237277      6.284162
  C      -7.481031     -2.337925      7.426995
  O      -8.223894     -2.772966      8.243356
  Cl     -5.824924     -1.653803      7.930031
  C      -8.327854     -4.218487      3.938761
  C      -3.400328     -5.129248      6.328373
  C      -2.291534     -4.305170      6.615855
  C      -2.075414     -3.809834      7.898921
  C      -2.968803     -4.151215      8.906037
  F      -2.781826     -3.624397     10.140486
  C      -4.058334     -5.000966      8.674357
  C      -5.008829     -5.384739      9.725137
  O      -6.063938     -5.980187      9.534360
  C      -4.689640     -5.205955     11.213636
  O      -3.893144     -5.913024     11.783660
  C      -5.589144     -4.172425     11.933773
  O      -6.188982     -3.314255     11.361014
  Cl     -5.550857     -4.335535     13.706854
  C      -4.259281     -5.486180      7.369932
  H      -3.572323     -2.277427      5.060251
  H      -3.422261      0.138206      5.652910
  H      -4.429509     -1.195935      0.958202
  H      -8.396132     -7.617903      4.153537
  H     -10.318114     -7.052455      5.635489
  H      -7.798235     -3.426718      3.418028
  H      -1.605006     -4.027825      5.813743
  H      -1.237107     -3.150223      8.123294
  H      -5.104071     -6.146549      7.185280
  N      -6.068426     -3.633377      5.259083
  N      -6.673888     -2.358844      5.061483
  H      -5.966067     -1.636895      4.918140
  H      -7.836121     -0.907586      5.909334
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597920453216
  N      -4.196459     -3.288655      2.695978
  C      -3.829123     -3.759089      1.352971
  C      -3.191865     -5.133253      1.500701
  N      -4.060710     -5.999324      2.344200
  C      -5.138093     -6.641394      1.542007
  C      -6.341940     -6.909655      2.428526
  N      -6.629866     -5.678235      3.166661
  Mo     -5.034583     -4.654581      3.896175
  N      -3.673072     -5.554713      5.006092
  C      -2.642560     -6.348911      4.329724
  C      -3.274147     -7.003876      3.111281
  H      -2.258639     -7.133356      5.003448
  H      -1.776321     -5.725367      4.037873
  H      -3.976623     -7.777601      3.450427
  H      -2.517921     -7.479625      2.464059
  H      -7.201682     -7.191424      1.797666
  H      -6.151302     -7.762739      3.106924
  H      -5.430908     -5.931582      0.756532
  H      -4.761773     -7.559462      1.059473
  H      -3.099651     -3.075249      0.889853
  H      -4.706508     -3.798827      0.682706
  H      -2.227723     -5.022280      2.015211
  H      -3.007118     -5.608756      0.522346
  C      -4.051570     -1.927484      2.970634
  C      -3.748687     -1.509185      4.291557
  C      -3.654088     -0.162057      4.628322
  C      -3.811187      0.790461      3.630091
  F      -3.722117      2.104167      3.958410
  C      -4.062446      0.425852      2.300575
  C      -4.235090      1.416960      1.228798
  O      -4.613051      1.158613      0.090947
  C      -3.837298      2.887592      1.426933
  O      -2.697156      3.264139      1.306779
  C      -5.044739      3.834368      1.636841
  O      -6.141676      3.432207      1.892903
  Cl     -4.619285      5.550144      1.530360
  C      -4.190971     -0.938383      1.987609
  C      -7.902442     -5.533085      3.743785
  C      -8.665002     -6.573752      4.308834
  C      -9.729859     -6.270703      5.159991
  C      -9.977741     -4.946508      5.514238
  F     -10.889038     -4.694591      6.478803
  C      -9.248231     -3.890664      4.945306
  C      -9.193702     -2.546075      5.586170
  O     -10.151479     -1.884825      5.933323
  C      -7.756390     -2.010936      5.964777
  O      -6.515403     -4.240553      6.288081
  C      -7.481146     -2.349459      7.437093
  O      -8.221850     -2.788962      8.253005
  Cl     -5.825683     -1.664080      7.941071
  C      -8.329742     -4.217887      3.944302
  C      -3.402834     -5.128689      6.330771
  C      -2.297375     -4.299623      6.616806
  C      -2.079134     -3.806605      7.900381
  C      -2.968333     -4.154471      8.909156
  F      -2.779094     -3.631477     10.144809
  C      -4.055430     -5.007156      8.678071
  C      -5.001821     -5.395832      9.730322
  O      -6.054790     -5.995973      9.541496
  C      -4.680839     -5.217499     11.218102
  O      -3.877545     -5.918778     11.785814
  C      -5.588520     -4.193665     11.941210
  O      -6.189516     -3.334001     11.371628
  Cl     -5.559336     -4.370362     13.713401
  C      -4.258128     -5.490323      7.373228
  H      -3.587239     -2.266288      5.062236
  H      -3.442487      0.150433      5.651103
  H      -4.426389     -1.193552      0.954022
  H      -8.393221     -7.617782      4.147426
  H     -10.315832     -7.060342      5.631194
  H      -7.801176     -3.423694      3.426620
  H      -1.615706     -4.016098      5.812686
  H      -1.243266     -3.143550      8.123620
  H      -5.101473     -6.152611      7.188489
  N      -6.069159     -3.633156      5.263248
  N      -6.677937     -2.360254      5.069872
  H      -5.972784     -1.636017      4.924420
  H      -7.840198     -0.913342      5.925542
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597933409333
  N      -4.197638     -3.285683      2.698183
  C      -3.825685     -3.756731      1.356725
  C      -3.189785     -5.131434      1.506552
  N      -4.061989     -5.997961      2.346236
  C      -5.137898     -6.637579      1.540253
  C      -6.343967     -6.905703      2.423563
  N      -6.632276     -5.675246      3.163228
  Mo     -5.036478     -4.653232      3.896401
  N      -3.677191     -5.554471      5.007717
  C      -2.648439     -6.353224      4.334350
  C      -3.279092     -7.005076      3.113902
  H      -2.269239     -7.139103      5.009044
  H      -1.778915     -5.732945      4.044890
  H      -3.984481     -7.777271      3.450522
  H      -2.522671     -7.482193      2.467930
  H      -7.202423     -7.185531      1.790021
  H      -6.156147     -7.760310      3.100849
  H      -5.428005     -5.926124      0.755253
  H      -4.761255     -7.555133      1.057059
  H      -3.093550     -3.073827      0.896321
  H      -4.700494     -3.795517      0.683020
  H      -2.227730     -5.020829      2.025086
  H      -3.000907     -5.606416      0.528718
  C      -4.055201     -1.924206      2.972505
  C      -3.758867     -1.504990      4.294492
  C      -3.666481     -0.157827      4.631364
  C      -3.819026      0.794462      3.632078
  F      -3.732845      2.107985      3.961167
  C      -4.063020      0.428852      2.301467
  C      -4.231305      1.419386      1.228590
  O      -4.608110      1.161487      0.090126
  C      -3.825772      2.887509      1.423976
  O      -2.680289      3.253298      1.319402
  C      -5.027308      3.846069      1.608117
  O      -6.128613      3.457717      1.866143
  Cl     -4.587469      5.556512      1.472350
  C      -4.189188     -0.935628      1.988124
  C      -7.904737     -5.532713      3.740391
  C      -8.668362     -6.575207      4.300983
  C      -9.734723     -6.274827      5.151127
  C      -9.983491     -4.951873      5.509092
  F     -10.896878     -4.703301      6.472474
  C      -9.252490     -3.893999      4.945202
  C      -9.198808     -2.552720      5.591632
  O     -10.157392     -1.894984      5.943887
  C      -7.761699     -2.017005      5.971059
  O      -6.513882     -4.244228      6.290492
  C      -7.486007     -2.360428      7.442210
  O      -8.225797     -2.804873      8.256365
  Cl     -5.833159     -1.672255      7.949613
  C      -8.332766     -4.218505      3.944531
  C      -3.405359     -5.126927      6.331597
  C      -2.303889     -4.291110      6.612909
  C      -2.082336     -3.797070      7.895437
  C      -2.965319     -4.150495      8.908094
  F      -2.773350     -3.626458     10.142795
  C      -4.049273     -5.008179      8.681190
  C      -4.989793     -5.401004      9.737336
  O      -6.040853     -6.005904      9.552520
  C      -4.664371     -5.221294     11.223900
  O      -3.855144     -5.917579     11.789324
  C      -5.575357     -4.202400     11.949254
  O      -6.177517     -3.342282     11.381507
  Cl     -5.548925     -4.385367     13.720888
  C      -4.255082     -5.492079      7.377152
  H      -3.600201     -2.261893      5.065979
  H      -3.460049      0.154948      5.655113
  H      -4.419401     -1.190860      0.953390
  H      -8.396442     -7.618704      4.136462
  H     -10.321553     -7.066064      5.618579
  H      -7.803837     -3.422622      3.429967
  H      -1.628972     -4.002479      5.804827
  H      -1.249808     -3.128666      8.115062
  H      -5.097009     -6.157092      7.195467
  N      -6.071689     -3.634644      5.265183
  N      -6.683208     -2.362887      5.074796
  H      -5.980625     -1.636905      4.927062
  H      -7.845918     -0.919505      5.935475
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597940098753
  N      -4.195501     -3.284086      2.698960
  C      -3.821298     -3.755638      1.358473
  C      -3.187058     -5.131042      1.509615
  N      -4.062164     -5.997118      2.346871
  C      -5.137679     -6.634470      1.538552
  C      -6.345008     -6.902367      2.420185
  N      -6.632969     -5.672577      3.161225
  Mo     -5.036353     -4.651846      3.895868
  N      -3.680187     -5.555138      5.008868
  C      -2.652576     -6.357075      4.337071
  C      -3.282379     -7.006446      3.114904
  H      -2.277083     -7.144247      5.012288
  H      -1.780640     -5.739180      4.049682
  H      -3.990055     -7.777597      3.449110
  H      -2.525742     -7.484449      2.469852
  H      -7.202973     -7.180416      1.785161
  H      -6.159054     -7.758099      3.096557
  H      -5.425930     -5.921516      0.754201
  H      -4.761388     -7.551680      1.054470
  H      -3.087289     -3.073815      0.899363
  H      -4.694663     -3.793668      0.682844
  H      -2.226470     -5.021229      2.031039
  H      -2.995762     -5.605919      0.532217
  C      -4.054663     -1.922501      2.973201
  C      -3.761588     -1.502532      4.295659
  C      -3.671841     -0.155150      4.632354
  C      -3.823241      0.796810      3.632462
  F      -3.739835      2.110308      3.961938
  C      -4.063213      0.430488      2.301405
  C      -4.230004      1.420227      1.227507
  O      -4.604127      1.161172      0.088326
  C      -3.826033      2.888552      1.421992
  O      -2.679545      3.253669      1.325408
  C      -5.028288      3.847814      1.594530
  O      -6.130026      3.461462      1.853447
  Cl     -4.588563      5.557545      1.445644
  C      -4.187096     -0.934278      1.988219
  C      -7.905100     -5.530919      3.739116
  C      -8.668455     -6.573739      4.299595
  C      -9.734678     -6.273768      5.150017
  C      -9.983789     -4.951040      5.508524
  F     -10.897053     -4.703276      6.472166
  C      -9.253011     -3.892536      4.944994
  C      -9.199070     -2.552640      5.593519
  O     -10.157726     -1.895965      5.947868
  C      -7.761733     -2.017805      5.973141
  O      -6.511969     -4.244282      6.291072
  C      -7.485624     -2.364616      7.443581
  O      -8.225426     -2.810974      8.256812
  Cl     -5.833704     -1.676104      7.952741
  C      -8.333563     -4.216883      3.943947
  C      -3.406722     -5.128389      6.332657
  C      -2.306325     -4.290757      6.612205
  C      -2.082624     -3.797552      7.894669
  C      -2.963027     -4.153268      8.908955
  F      -2.768792     -3.630326     10.143674
  C      -4.046641     -5.011782      8.683399
  C      -4.985513     -5.405650      9.740788
  O      -6.035899     -6.012073      9.557010
  C      -4.659602     -5.224446     11.227114
  O      -3.848873     -5.918269     11.793324
  C      -5.572468     -4.206148     11.950942
  O      -6.174661     -3.347231     11.381333
  Cl     -5.547862     -4.387124     13.722524
  C      -4.254188     -5.495078      7.379470
  H      -3.603755     -2.259170      5.067547
  H      -3.468147      0.158139      5.656491
  H      -4.414036     -1.190129      0.952913
  H      -8.396206     -7.617110      4.134750
  H     -10.321103     -7.065327      5.617438
  H      -7.805076     -3.420726      3.429220
  H      -1.634287     -4.000244      5.802354
  H      -1.250877     -3.127878      8.113337
  H      -5.096951     -6.159413      7.198953
  N      -6.071350     -3.633880      5.265345
  N      -6.683868     -2.362600      5.076114
  H      -5.982000     -1.636136      4.926983
  H      -7.845183     -0.920200      5.939977
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597945289416
  N      -4.193188     -3.283033      2.700030
  C      -3.817128     -3.755056      1.360342
  C      -3.184481     -5.131133      1.512531
  N      -4.062487     -5.996644      2.347518
  C      -5.137690     -6.631836      1.536917
  C      -6.346144     -6.899911      2.416889
  N      -6.633825     -5.671090      3.159736
  Mo     -5.036453     -4.651130      3.895189
  N      -3.683020     -5.555393      5.009787
  C      -2.656692     -6.360932      4.339714
  C      -3.285697     -7.008082      3.115969
  H      -2.285472     -7.149478      5.015683
  H      -1.782048     -5.745824      4.054670
  H      -3.995531     -7.778248      3.447767
  H      -2.528861     -7.486867      2.471741
  H      -7.203679     -7.176000      1.780418
  H      -6.161841     -7.756905      3.092095
  H      -5.424091     -5.917352      0.753305
  H      -4.761633     -7.548656      1.051944
  H      -3.081647     -3.074205      0.902090
  H      -4.689361     -3.792541      0.683199
  H      -2.225340     -5.022292      2.036784
  H      -2.991139     -5.605890      0.535494
  C      -4.053174     -1.921539      2.974395
  C      -3.762174     -1.501111      4.297262
  C      -3.674534     -0.153542      4.633788
  C      -3.825605      0.798235      3.633603
  F      -3.744843      2.111720      3.963443
  C      -4.062723      0.431529      2.302210
  C      -4.228234      1.420532      1.227479
  O      -4.599157      1.160184      0.087449
  C      -3.826571      2.889412      1.420996
  O      -2.679867      3.255451      1.330765
  C      -5.030706      3.847674      1.584585
  O      -6.132429      3.461087      1.843165
  Cl     -4.593407      5.557646      1.427349
  C      -4.184858     -0.933428      1.989208
  C      -7.905946     -5.529649      3.737346
  C      -8.669960     -6.572399      4.297025
  C      -9.736126     -6.272337      5.147470
  C      -9.984816     -4.949777      5.506819
  F     -10.898167     -4.702479      6.470433
  C      -9.253651     -3.890989      4.943967
  C      -9.199383     -2.552055      5.594293
  O     -10.157927     -1.895773      5.949730
  C      -7.761930     -2.018428      5.974389
  O      -6.510800     -4.244474      6.290996
  C      -7.485495     -2.368158      7.444260
  O      -8.225363     -2.816234      8.256588
  Cl     -5.834396     -1.678967      7.954706
  C      -8.334110     -4.215443      3.943007
  C      -3.407927     -5.129012      6.333269
  C      -2.309133     -4.288778      6.610835
  C      -2.084184     -3.795349      7.892975
  C      -2.961816     -4.153323      8.908891
  F      -2.766286     -3.630127     10.143219
  C      -4.044085     -5.014143      8.685219
  C      -4.981067     -5.409481      9.743934
  O      -6.030562     -6.017662      9.561236
  C      -4.654141     -5.226836     11.230025
  O      -3.841718     -5.918537     11.796278
  C      -5.568567     -4.209397     11.953435
  O      -6.173680     -3.353382     11.382522
  Cl     -5.540750     -4.386049     13.725039
  C      -4.252782     -5.497668      7.381536
  H      -3.604713     -2.257605      5.069353
  H      -3.472580      0.160119      5.658160
  H      -4.409020     -1.189997      0.953462
  H      -8.398115     -7.615809      4.131707
  H     -10.322979     -7.063860      5.614426
  H      -7.805425     -3.419310      3.428220
  H      -1.639452     -3.996973      5.799477
  H      -1.253711     -3.123760      8.110628
  H      -5.095406     -6.162696      7.202789
  N      -6.071221     -3.633358      5.265105
  N      -6.684384     -2.362282      5.077101
  H      -5.983115     -1.635531      4.926879
  H      -7.844598     -0.920737      5.943789
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597948954523
  N      -4.189858     -3.282009      2.700791
  C      -3.812303     -3.754323      1.361649
  C      -3.181512     -5.131173      1.514600
  N      -4.062215     -5.995755      2.347788
  C      -5.137544     -6.628631      1.535421
  C      -6.346834     -6.896927      2.414188
  N      -6.633786     -5.669126      3.159002
  Mo     -5.035767     -4.649840      3.894528
  N      -3.685161     -5.555486      5.010515
  C      -2.659951     -6.364100      4.341794
  C      -3.288264     -7.009137      3.116599
  H      -2.292786     -7.154061      5.018340
  H      -1.782791     -5.751508      4.059211
  H      -3.999913     -7.778447      3.446413
  H      -2.531318     -7.488599      2.473006
  H      -7.204275     -7.170908      1.776680
  H      -6.163917     -7.755248      3.088080
  H      -5.422470     -5.912590      0.752715
  H      -4.762054     -7.545119      1.049365
  H      -3.075457     -3.074315      0.904315
  H      -4.683551     -3.790945      0.683171
  H      -2.223451     -5.023590      2.041064
  H      -2.986886     -5.605943      0.537836
  C      -4.050953     -1.920385      2.974798
  C      -3.761325     -1.498910      4.297723
  C      -3.675822     -0.150959      4.633383
  C      -3.827612      0.800096      3.632604
  F      -3.749278      2.113860      3.961730
  C      -4.063114      0.432416      2.301215
  C      -4.228431      1.420320      1.225553
  O      -4.597156      1.158439      0.085101
  C      -3.829570      2.890183      1.417533
  O      -2.683434      3.258477      1.330355
  C      -5.036351      3.846261      1.575339
  O      -6.137694      3.457681      1.832599
  Cl     -4.603044      5.557002      1.414267
  C      -4.183337     -0.932892      1.989110
  C      -7.905794     -5.527645      3.736944
  C      -8.669718     -6.570329      4.296744
  C      -9.735347     -6.270145      5.147854
  C      -9.983633     -4.947634      5.507655
  F     -10.896408     -4.700510      6.471847
  C      -9.252772     -3.888745      4.944532
  C      -9.198036     -2.549987      5.595615
  O     -10.156215     -1.893342      5.951205
  C      -7.760377     -2.017827      5.975893
  O      -6.509598     -4.243965      6.290518
  C      -7.483210     -2.370297      7.445142
  O      -8.223080     -2.819085      8.257094
  Cl     -5.831799     -1.681608      7.955908
  C      -8.333631     -4.213285      3.943208
  C      -3.409117     -5.130465      6.334343
  C      -2.311153     -4.289100      6.611561
  C      -2.085891     -3.796409      7.893923
  C      -2.962219     -4.156038      8.910275
  F      -2.766423     -3.633317     10.144711
  C      -4.043771     -5.017912      8.686915
  C      -4.980340     -5.414196      9.745672
  O      -6.029431     -6.022946      9.562846
  C      -4.653397     -5.231328     11.231864
  O      -3.841139     -5.922999     11.798306
  C      -5.567717     -4.213275     11.954982
  O      -6.174243     -3.358845     11.383160
  Cl     -5.537236     -4.386477     13.726563
  C      -4.252808     -5.500748      7.382945
  H      -3.603649     -2.254795      5.070343
  H      -3.474939      0.163654      5.657678
  H      -4.405754     -1.190777      0.953311
  H      -8.398205     -7.613793      4.131179
  H     -10.322119     -7.061600      5.615039
  H      -7.805109     -3.417402      3.427780
  H      -1.642217     -3.996441      5.799906
  H      -1.256078     -3.124037      8.111747
  H      -5.095396     -6.165981      7.204672
  N      -6.070127     -3.632108      5.264884
  N      -6.683446     -2.361130      5.077988
  H      -5.982360     -1.634323      4.926972
  H      -7.842133     -0.919967      5.947940
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597951935144
  N      -4.186858     -3.281349      2.701660
  C      -3.807599     -3.753828      1.362963
  C      -3.178860     -5.131526      1.516536
  N      -4.062115     -5.995090      2.348127
  C      -5.137529     -6.625815      1.534137
  C      -6.347631     -6.894402      2.411706
  N      -6.633822     -5.667713      3.158556
  Mo     -5.035414     -4.648812      3.893931
  N      -3.686928     -5.555175      5.011017
  C      -2.662933     -6.366855      4.343804
  C      -3.290793     -7.010120      3.117474
  H      -2.299649     -7.158057      5.021026
  H      -1.783326     -5.756788      4.063461
  H      -4.004048     -7.778497      3.445908
  H      -2.533856     -7.490396      2.474475
  H      -7.205000     -7.166326      1.773227
  H      -6.165974     -7.754108      3.084185
  H      -5.421097     -5.908334      0.752292
  H      -4.762538     -7.542016      1.047116
  H      -3.069332     -3.074490      0.906926
  H      -4.677772     -3.789241      0.683013
  H      -2.221628     -5.025456      2.044797
  H      -2.983384     -5.606324      0.539957
  C      -4.048958     -1.919516      2.975116
  C      -3.760377     -1.497012      4.297988
  C      -3.676314     -0.148726      4.632742
  C      -3.828713      0.801574      3.631398
  F      -3.752109      2.115669      3.959534
  C      -4.063307      0.432917      2.300063
  C      -4.228733      1.419927      1.223784
  O      -4.596285      1.157112      0.083143
  C      -3.831396      2.890487      1.414363
  O      -2.685779      3.260452      1.328609
  C      -5.040160      3.845058      1.568512
  O      -6.141353      3.454865      1.824083
  Cl     -4.609540      5.556288      1.406297
  C      -4.182035     -0.932696      1.988854
  C      -7.905861     -5.526128      3.736546
  C      -8.670101     -6.568879      4.295663
  C      -9.735457     -6.268828      5.147219
  C      -9.983127     -4.946469      5.507991
  F     -10.895683     -4.699609      6.472492
  C      -9.252121     -3.887524      4.945340
  C      -9.197138     -2.548691      5.596930
  O     -10.154989     -1.891530      5.952214
  C      -7.759353     -2.017665      5.977509
  O      -6.508965     -4.243890      6.289942
  C      -7.481426     -2.372508      7.446185
  O      -8.221122     -2.821860      8.257940
  Cl     -5.829557     -1.684142      7.957002
  C      -8.333077     -4.211695      3.943861
  C      -3.410395     -5.130812      6.335132
  C      -2.313551     -4.287887      6.611949
  C      -2.088418     -3.795418      7.894417
  C      -2.963567     -4.156716      8.911068
  F      -2.767975     -3.634201     10.145631
  C      -4.043881     -5.020250      8.688088
  C      -4.979482     -5.418059      9.747044
  O      -6.027831     -6.028115      9.564530
  C      -4.651857     -5.234748     11.233074
  O      -3.839084     -5.926223     11.798992
  C      -5.566092     -4.216856     11.956813
  O      -6.175446     -3.364358     11.385066
  Cl     -5.530935     -4.387164     13.728460
  C      -4.252932     -5.502786      7.383936
  H      -3.602487     -2.252253      5.071195
  H      -3.476166      0.166796      5.656913
  H      -4.403433     -1.191805      0.953138
  H      -8.399257     -7.612387      4.129295
  H     -10.322599     -7.060293      5.613931
  H      -7.804476     -3.415953      3.428340
  H      -1.645211     -3.994184      5.800193
  H      -1.259508     -3.121908      8.112223
  H      -5.094602     -6.169285      7.206024
  N      -6.069448     -3.631260      5.264744
  N      -6.682857     -2.360366      5.078990
  H      -5.982135     -1.633452      4.927046
  H      -7.840473     -0.919670      5.952198
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597954110036
  N      -4.183540     -3.280859      2.702337
  C      -3.802432     -3.753385      1.364056
  C      -3.176134     -5.132087      1.518152
  N      -4.061858     -5.994468      2.348332
  C      -5.137401     -6.623103      1.532953
  C      -6.348282     -6.891771      2.409492
  N      -6.633555     -5.666070      3.158195
  Mo     -5.034916     -4.647605      3.893363
  N      -3.688385     -5.555008      5.011419
  C      -2.665497     -6.369255      4.345557
  C      -3.293071     -7.010958      3.118298
  H      -2.305388     -7.161481      5.023307
  H      -1.783843     -5.761311      4.067006
  H      -4.007834     -7.778309      3.445812
  H      -2.536231     -7.492210      2.475914
  H      -7.205640     -7.161781      1.770191
  H      -6.167826     -7.752801      3.080624
  H      -5.419764     -5.904279      0.751918
  H      -4.763025     -7.539088      1.045018
  H      -3.062451     -3.074721      0.909797
  H      -4.671360     -3.787082      0.682401
  H      -2.219453     -5.027814      2.047765
  H      -2.980178     -5.606956      0.541703
  C      -4.047088     -1.918643      2.974964
  C      -3.759961     -1.494865      4.297698
  C      -3.677398     -0.146206      4.631430
  C      -3.830109      0.803137      3.629296
  F      -3.754943      2.117634      3.956184
  C      -4.063651      0.433240      2.298035
  C      -4.229414      1.419331      1.221086
  O      -4.596090      1.155622      0.080378
  C      -3.833803      2.890625      1.410717
  O      -2.688927      3.262559      1.324372
  C      -5.044384      3.843400      1.564136
  O      -6.145221      3.451260      1.818320
  Cl     -4.616387      5.555180      1.403131
  C      -4.180725     -0.932728      1.987847
  C      -7.905546     -5.524493      3.736616
  C      -8.669696     -6.567423      4.295440
  C      -9.734737     -6.267676      5.147555
  C      -9.982025     -4.945430      5.509030
  F     -10.894219     -4.698726      6.473980
  C      -9.251124     -3.886449      4.946580
  C      -9.195969     -2.547315      5.598064
  O     -10.153558     -1.889517      5.952705
  C      -7.758012     -2.017149      5.978918
  O      -6.508378     -4.243496      6.289425
  C      -7.479455     -2.374168      7.447012
  O      -8.219010     -2.823765      8.258706
  Cl     -5.826967     -1.686450      7.957951
  C      -8.332337     -4.210129      3.944768
  C      -3.411821     -5.131318      6.335991
  C      -2.315557     -4.287726      6.612960
  C      -2.090521     -3.795910      7.895708
  C      -2.965194     -4.158446      8.912254
  F      -2.769947     -3.636411     10.147112
  C      -4.044955     -5.022577      8.689030
  C      -4.980055     -5.421512      9.747907
  O      -6.028073     -6.032157      9.565439
  C      -4.651817     -5.238397     11.233814
  O      -3.839770     -5.931138     11.799267
  C      -5.564134     -4.219183     11.958129
  O      -6.174498     -3.367139     11.386783
  Cl     -5.525499     -4.387810     13.729913
  C      -4.253998     -5.504376      7.384548
  H      -3.602023     -2.249289      5.071689
  H      -3.478306      0.170374      5.655486
  H      -4.401307     -1.193055      0.952264
  H      -8.399262     -7.610924      4.128368
  H     -10.321919     -7.059241      5.614042
  H      -7.803925     -3.414463      3.429084
  H      -1.647467     -3.992947      5.801400
  H      -1.262087     -3.121867      8.113689
  H      -5.095076     -6.171524      7.206227
  N      -6.068634     -3.630288      5.264641
  N      -6.682018     -2.359475      5.079669
  H      -5.981619     -1.632483      4.926676
  H      -7.838543     -0.919024      5.956002
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597956331640
  N      -4.180406     -3.280769      2.702985
  C      -3.797236     -3.753303      1.365182
  C      -3.173664     -5.133121      1.519785
  N      -4.061849     -5.994257      2.348604
  C      -5.137390     -6.620934      1.531839
  C      -6.349125     -6.889488      2.407295
  N      -6.633540     -5.664671      3.157655
  Mo     -5.034758     -4.646683      3.892800
  N      -3.689728     -5.554980      5.011700
  C      -2.668006     -6.371656      4.347239
  C      -3.295556     -7.012082      3.119316
  H      -2.310511     -7.164643      5.025505
  H      -1.784573     -5.765689      4.069886
  H      -4.011910     -7.778174      3.446275
  H      -2.538947     -7.494613      2.477619
  H      -7.206387     -7.157756      1.767131
  H      -6.169917     -7.751761      3.077190
  H      -5.418491     -5.900871      0.751494
  H      -4.763599     -7.536760      1.043140
  H      -3.055224     -3.075395      0.913099
  H      -4.664732     -3.784919      0.681579
  H      -2.217388     -5.030864      2.050516
  H      -2.977386     -5.608064      0.543433
  C      -4.045485     -1.918154      2.974782
  C      -3.760124     -1.493266      4.297448
  C      -3.678745     -0.144326      4.630403
  C      -3.831127      0.804183      3.627492
  F      -3.757035      2.119010      3.953399
  C      -4.063288      0.433192      2.296218
  C      -4.229246      1.418615      1.218737
  O      -4.594945      1.154256      0.077896
  C      -3.835497      2.890504      1.408380
  O      -2.691355      3.264355      1.320793
  C      -5.047571      3.841366      1.563371
  O      -6.147929      3.447221      1.816570
  Cl     -4.621855      5.553779      1.405316
  C      -4.178892     -0.933057      1.986774
  C      -7.905519     -5.523241      3.736379
  C      -8.669767     -6.566418      4.294586
  C      -9.734712     -6.267121      5.147013
  C      -9.981686     -4.945029      5.509319
  F     -10.893761     -4.698548      6.474501
  C      -9.250680     -3.885966      4.947425
  C      -9.195445     -2.546639      5.598714
  O     -10.152905     -1.888302      5.952652
  C      -7.757314     -2.016965      5.979990
  O      -6.508156     -4.243250      6.288993
  C      -7.478398     -2.375971      7.447528
  O      -8.217856     -2.825943      8.259076
  Cl     -5.825647     -1.688551      7.958941
  C      -8.331979     -4.209021      3.945388
  C      -3.413289     -5.131103      6.336428
  C      -2.317651     -4.286693      6.613121
  C      -2.092451     -3.795097      7.895956
  C      -2.966553     -4.158715      8.912606
  F      -2.771288     -3.637092     10.147702
  C      -4.045767     -5.023509      8.689507
  C      -4.979856     -5.423599      9.748767
  O      -6.027439     -6.035183      9.566865
  C      -4.650536     -5.240169     11.234332
  O      -3.838697     -5.933700     11.799187
  C      -5.561151     -4.220005     11.959234
  O      -6.173129     -3.368773     11.388422
  Cl     -5.518393     -4.386703     13.731314
  C      -4.254985     -5.504991      7.384945
  H      -3.602487     -2.246997      5.072183
  H      -3.480978      0.173095      5.654459
  H      -4.398549     -1.194238      0.951211
  H      -8.399674     -7.609870      4.126670
  H     -10.322057     -7.058862      5.612986
  H      -7.803713     -3.413220      3.429914
  H      -1.650153     -3.990791      5.801481
  H      -1.264477     -3.120409      8.113640
  H      -5.095364     -6.172928      7.206292
  N      -6.068278     -3.629627      5.264497
  N      -6.681725     -2.358918      5.080108
  H      -5.981878     -1.631741      4.925665
  H      -7.837461     -0.918772      5.959202
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597957911331
  N      -4.177239     -3.280730      2.703568
  C      -3.792113     -3.753263      1.366295
  C      -3.171313     -5.134212      1.521347
  N      -4.061873     -5.994130      2.348852
  C      -5.137400     -6.618893      1.530736
  C      -6.349987     -6.887142      2.405160
  N      -6.633596     -5.663042      3.156928
  Mo     -5.034612     -4.645769      3.892320
  N      -3.690970     -5.555311      5.011930
  C      -2.670329     -6.374022      4.348656
  C      -3.298015     -7.013299      3.120209
  H      -2.314802     -7.167591      5.027279
  H      -1.785481     -5.769724      4.071999
  H      -4.016047     -7.778019      3.446690
  H      -2.541735     -7.497244      2.479189
  H      -7.207112     -7.153833      1.764149
  H      -6.172060     -7.750514      3.074001
  H      -5.417213     -5.897635      0.751017
  H      -4.764236     -7.534586      1.041310
  H      -3.047912     -3.076249      0.916434
  H      -4.658150     -3.782699      0.680724
  H      -2.215367     -5.033983      2.053052
  H      -2.974754     -5.609204      0.545071
  C      -4.044123     -1.917715      2.974561
  C      -3.761207     -1.491703      4.297300
  C      -3.681269     -0.142498      4.629585
  C      -3.832730      0.805194      3.625768
  F      -3.759861      2.120309      3.950921
  C      -4.062605      0.433103      2.294388
  C      -4.228150      1.417838      1.216134
  O      -4.591929      1.152516      0.074940
  C      -3.836948      2.890357      1.406416
  O      -2.693531      3.266245      1.317791
  C      -5.050451      3.839017      1.563594
  O      -6.150264      3.442711      1.815773
  Cl     -4.627110      5.552244      1.409135
  C      -4.176588     -0.933427      1.985581
  C      -7.905488     -5.521976      3.736115
  C      -8.669586     -6.565455      4.293982
  C      -9.734426     -6.266679      5.146729
  C      -9.981377     -4.944740      5.509665
  F     -10.893255     -4.698573      6.475145
  C      -9.250503     -3.885468      4.948127
  C      -9.195134     -2.546160      5.599301
  O     -10.152523     -1.887444      5.952790
  C      -7.756785     -2.016863      5.981023
  O      -6.507987     -4.242945      6.288724
  C      -7.477710     -2.377939      7.447961
  O      -8.217195     -2.828469      8.259201
  Cl     -5.824983     -1.690754      7.960243
  C      -8.331980     -4.207962      3.945743
  C      -3.414712     -5.131020      6.336664
  C      -2.319482     -4.286075      6.612982
  C      -2.093817     -3.794661      7.895847
  C      -2.967357     -4.159142      8.912711
  F      -2.771799     -3.637838     10.147950
  C      -4.046384     -5.024193      8.689838
  C      -4.979616     -5.424983      9.749610
  O      -6.027007     -6.037076      9.568245
  C      -4.649254     -5.241436     11.234894
  O      -3.837848     -5.935908     11.799277
  C      -5.557934     -4.220023     11.960174
  O      -6.170896     -3.369274     11.389759
  Cl     -5.511889     -4.384981     13.732569
  C      -4.256014     -5.505410      7.385285
  H      -3.604258     -2.244779      5.072815
  H      -3.485392      0.175708      5.653758
  H      -4.394637     -1.195278      0.949850
  H      -8.399471     -7.608801      4.125439
  H     -10.321645     -7.058681      5.612407
  H      -7.804011     -3.411863      3.430531
  H      -1.652729     -3.989242      5.801058
  H      -1.266119     -3.119512      8.113074
  H      -5.096135     -6.173576      7.206285
  N      -6.068033     -3.628983      5.264412
  N      -6.681643     -2.358405      5.080505
  H      -5.982467     -1.630952      4.924422
  H      -7.836656     -0.918635      5.962134
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca E -8051.597958900312
  N      -4.174490     -3.280809      2.704081
  C      -3.787892     -3.753367      1.367302
  C      -3.169451     -5.135288      1.522695
  N      -4.062025     -5.994172      2.349091
  C      -5.137550     -6.617246      1.529760
  C      -6.350878     -6.885122      2.403255
  N      -6.633871     -5.661539      3.156097
  Mo     -5.034570     -4.645111      3.891947
  N      -3.691993     -5.555872      5.012044
  C      -2.672304     -6.376216      4.349681
  C      -3.300274     -7.014588      3.120902
  H      -2.318166     -7.170188      5.028555
  H      -1.786399     -5.773284      4.073290
  H      -4.019891     -7.777997      3.446959
  H      -2.544405     -7.499892      2.480429
  H      -7.207840     -7.150503      1.761472
  H      -6.174132     -7.749341      3.071321
  H      -5.416137     -5.894940      0.750561
  H      -4.764954     -7.532827      1.039705
  H      -3.041746     -3.077285      0.919208
  H      -4.652730     -3.780959      0.680125
  H      -2.213786     -5.036778      2.055211
  H      -2.972657     -5.610304      0.546477
  C      -4.042960     -1.917517      2.974510
  C      -3.762516     -1.490672      4.297481
  C      -3.683903     -0.141293      4.629350
  C      -3.834193      0.805814      3.624767
  F      -3.762555      2.121115      3.949572
  C      -4.061458      0.432930      2.293212
  C      -4.226093      1.417125      1.214184
  O      -4.587229      1.150750      0.072427
  C      -3.837752      2.890223      1.405602
  O      -2.694938      3.268030      1.316841
  C      -5.052619      3.836615      1.564596
  O      -6.151937      3.438134      1.815491
  Cl     -4.631691      5.550811      1.413805
  C      -4.173994     -0.933808      1.984754
  C      -7.905654     -5.520951      3.735669
  C      -8.669564     -6.564722      4.293290
  C      -9.734343     -6.266429      5.146258
  C      -9.981462     -4.944653      5.509704
  F     -10.893200     -4.698918      6.475415
  C      -9.250816     -3.885078      4.948445
  C      -9.195260     -2.546044      5.599827
  O     -10.152595     -1.887151      5.953239
  C      -7.756702     -2.017033      5.981913
  O      -6.507981     -4.242718      6.288500
  C      -7.477544     -2.379966      7.448294
  O      -8.217099     -2.831248      8.259118
  Cl     -5.825142     -1.692696      7.961530
  C      -8.332446     -4.207138      3.945734
  C      -3.415830     -5.130848      6.336540
  C      -2.320986     -4.285286      6.612184
  C      -2.094737     -3.793684      7.894910
  C      -2.967552     -4.158781      8.912212
  F      -2.771431     -3.637592     10.147444
  C      -4.046381     -5.024221      8.689928
  C      -4.978742     -5.425372      9.750409
  O      -6.025980     -6.037905      9.569700
  C      -4.647420     -5.241438     11.235435
  O      -3.835854     -5.936024     11.799463
  C      -5.555272     -4.219562     11.960917
  O      -6.169616     -3.369759     11.390632
  Cl     -5.506322     -4.382552     13.733575
  C      -4.256530     -5.505581      7.385573
  H      -3.606412     -2.243318      5.073588
  H      -3.489930      0.177443      5.653716
  H      -4.390021     -1.196026      0.948694
  H      -8.399219     -7.607940      4.124320
  H     -10.321355     -7.058712      5.611715
  H      -7.804752     -3.410617      3.430902
  H      -1.655097     -3.987933      5.799726
  H      -1.267283     -3.118051      8.111494
  H      -5.096553     -6.173886      7.206647
  N      -6.068029     -3.628461      5.264290
  N      -6.681968     -2.358070      5.080845
  H      -5.983620     -1.630231      4.922970
  H      -7.836539     -0.918825      5.964523
