74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.859095946909
  N      -3.625125     -3.702791      3.289062
  C      -3.319915     -4.353675      2.017845
  C      -2.671608     -5.701165      2.319069
  N      -3.461816     -6.404242      3.358815
  C      -4.688548     -6.991461      2.755225
  C      -5.874172     -6.607531      3.644860
  N      -5.679030     -5.241396      4.079514
  Mo     -3.875525     -4.866720      4.860842
  N      -2.459951     -5.979365      5.750828
  C      -1.669079     -6.901082      4.949025
  C      -2.646786     -7.495884      3.941349
  H      -1.258689     -7.705903      5.567777
  H      -0.833684     -6.391437      4.452488
  H      -3.321814     -8.170923      4.479982
  H      -2.124387     -8.055203      3.157414
  H      -6.827418     -6.748922      3.128269
  H      -5.882905     -7.234084      4.550456
  H      -4.826763     -6.593605      1.747577
  H      -4.603759     -8.077370      2.668180
  H      -2.627479     -3.743421      1.428150
  H      -4.241428     -4.482094      1.433523
  H      -1.660283     -5.528460      2.699536
  H      -2.599473     -6.307512      1.409207
  C      -4.065226     -2.423953      3.223898
  C      -4.420814     -1.805688      2.003731
  C      -4.859519     -0.506410      1.930200
  Cl     -5.331313      0.113214      0.397039
  C      -4.896692      0.324952      3.084772
  C      -5.383486      1.707462      3.025011
  O      -6.161353      2.125319      2.181178
  C      -4.876595      2.694829      4.064325
  O      -3.962674      2.518049      4.824212
  C      -4.520077     -0.246400      4.284838
  C      -4.162509     -1.601189      4.408784
  C      -3.992466     -2.101388      5.718109
  O      -3.961136     -3.332616      5.991331
  C      -6.574269     -4.260509      3.815226
  C      -6.728676     -3.260280      4.801717
  C      -7.523515     -2.151822      4.630319
  Cl     -7.572438     -0.981685      5.891903
  C      -8.268102     -1.972876      3.441656
  C      -9.065065     -0.775197      3.189960
  O      -9.394576      0.037264      4.043248
  C      -9.458260     -0.464335      1.756107
  O      -8.841247     -0.784733      0.775910
  C      -8.215992     -3.017060      2.516975
  C      -7.397818     -4.129103      2.653429
  C      -7.393404     -5.025391      1.485585
  O      -8.321404     -5.164201      0.725881
  C      -2.083563     -5.782389      7.032459
  C      -0.757970     -5.967015      7.473252
  C      -0.384048     -5.712901      8.775497
  Cl      1.277479     -5.876038      9.186392
  C      -1.328116     -5.284983      9.744770
  C      -0.925616     -4.970112     11.120708
  O       0.071542     -5.409970     11.670219
  C      -1.781395     -3.978962     11.893223
  O      -2.603550     -3.242253     11.417347
  C      -2.658143     -5.198349      9.344620
  C      -3.057127     -5.436217      8.029079
  C      -4.444920     -5.540900      7.695712
  O      -4.868051     -5.634249      6.534479
  H      -4.390750     -2.350246      1.076935
  H      -5.427608      3.650377      4.008945
  H      -4.557911      0.340030      5.187852
  H      -3.963338     -1.393052      6.549503
  H      -6.260191     -3.408221      5.765921
  H     -10.345562      0.191964      1.707558
  H      -8.814632     -2.966538      1.620379
  H      -6.441086     -5.541470      1.284149
  H       0.013173     -6.261687      6.781799
  H      -1.514469     -3.960746     12.964347
  H      -3.418124     -4.953102     10.068456
  H      -5.163740     -5.599946      8.522126
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.878194980489
  N      -3.612246     -3.686361      3.289074
  C      -3.328757     -4.351501      2.012724
  C      -2.691090     -5.701800      2.301787
  N      -3.475265     -6.417286      3.346790
  C      -4.718249     -7.005435      2.750233
  C      -5.896383     -6.632745      3.650013
  N      -5.726155     -5.258735      4.100847
  Mo     -3.891137     -4.865007      4.869974
  N      -2.443468     -5.973230      5.749887
  C      -1.656328     -6.892287      4.925869
  C      -2.638664     -7.502292      3.931372
  H      -1.227008     -7.696053      5.541186
  H      -0.826766     -6.376245      4.414456
  H      -3.304995     -8.182646      4.477600
  H      -2.118685     -8.063756      3.139582
  H      -6.855573     -6.785185      3.138040
  H      -5.891661     -7.276502      4.547745
  H      -4.867060     -6.598315      1.743443
  H      -4.623297     -8.095317      2.653514
  H      -2.631136     -3.747255      1.414427
  H      -4.257863     -4.470226      1.429159
  H      -1.674753     -5.534840      2.680862
  H      -2.624523     -6.310231      1.386039
  C      -4.026752     -2.383231      3.219431
  C      -4.379967     -1.772891      1.991667
  C      -4.807096     -0.463228      1.904879
  Cl     -5.269662      0.112328      0.344635
  C      -4.825898      0.387924      3.056980
  C      -5.300788      1.786546      3.023276
  O      -6.107716      2.234120      2.214807
  C      -4.755012      2.786062      4.050440
  O      -3.801617      2.619990      4.778484
  C      -4.443055     -0.188457      4.262794
  C      -4.108929     -1.549983      4.397989
  C      -3.957598     -2.050203      5.713617
  O      -3.949845     -3.301122      5.996469
  C      -6.652215     -4.286038      3.848709
  C      -6.867929     -3.304131      4.852802
  C      -7.690274     -2.211562      4.677787
  Cl     -7.780556     -1.086011      5.987429
  C      -8.398056     -2.015819      3.453185
  C      -9.214160     -0.830926      3.149390
  O      -9.643227     -0.019504      3.969620
  C      -9.509534     -0.500962      1.684417
  O      -8.794985     -0.769638      0.743031
  C      -8.284694     -3.050082      2.514248
  C      -7.449196     -4.156477      2.662774
  C      -7.367789     -5.037601      1.482035
  O      -8.258999     -5.186713      0.661992
  C      -2.059717     -5.778991      7.041428
  C      -0.726829     -5.959830      7.471651
  C      -0.342860     -5.714760      8.779770
  Cl      1.337617     -5.872443      9.133363
  C      -1.283591     -5.299777      9.771811
  C      -0.905295     -4.997372     11.167881
  O       0.078498     -5.445836     11.752440
  C      -1.771473     -4.010699     11.954807
  O      -2.588435     -3.247970     11.484279
  C      -2.620990     -5.214245      9.366682
  C      -3.028645     -5.443616      8.050833
  C      -4.425519     -5.553061      7.735295
  O      -4.877837     -5.639842      6.570120
  H      -4.362621     -2.339277      1.065293
  H      -5.315335      3.750637      4.007662
  H      -4.471386      0.406834      5.170652
  H      -3.919688     -1.340033      6.548659
  H      -6.415628     -3.456185      5.828126
  H     -10.410762      0.150325      1.581936
  H      -8.848670     -2.993334      1.587011
  H      -6.384466     -5.537525      1.322597
  H       0.045798     -6.244125      6.761632
  H      -1.508321     -4.012968     13.039446
  H      -3.387848     -4.982624     10.101569
  H      -5.135361     -5.617393      8.577605
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.884535367320
  N      -3.602909     -3.681648      3.281437
  C      -3.329463     -4.358999      2.005640
  C      -2.683910     -5.702381      2.287693
  N      -3.457495     -6.440859      3.330933
  C      -4.704674     -7.043915      2.736712
  C      -5.895400     -6.686013      3.626737
  N      -5.760385     -5.305947      4.087762
  Mo     -3.912858     -4.878611      4.867181
  N      -2.420502     -5.954912      5.749861
  C      -1.619888     -6.857122      4.913291
  C      -2.590666     -7.500201      3.929534
  H      -1.162663     -7.648425      5.528653
  H      -0.804304     -6.323700      4.392812
  H      -3.243749     -8.191605      4.479552
  H      -2.061098     -8.058791      3.138639
  H      -6.849834     -6.857194      3.106318
  H      -5.889074     -7.339430      4.519381
  H      -4.848878     -6.633474      1.728879
  H      -4.587045     -8.133841      2.635980
  H      -2.637736     -3.753302      1.397433
  H      -4.261689     -4.483796      1.424231
  H      -1.668993     -5.529354      2.671898
  H      -2.609007     -6.310661      1.369641
  C      -4.020730     -2.369833      3.201447
  C      -4.358628     -1.774631      1.960397
  C      -4.794970     -0.464668      1.856443
  Cl     -5.225090      0.090372      0.274495
  C      -4.845906      0.393099      3.000757
  C      -5.338955      1.785907      2.965014
  O      -6.131567      2.236631      2.140378
  C      -4.819858      2.811678      3.993107
  O      -3.863921      2.676304      4.731739
  C      -4.481145     -0.175175      4.220860
  C      -4.135649     -1.532970      4.373899
  C      -4.006887     -2.023385      5.695850
  O      -3.991658     -3.284764      5.989489
  C      -6.690244     -4.324300      3.861122
  C      -6.823801     -3.315083      4.857291
  C      -7.608244     -2.192276      4.691519
  Cl     -7.591184     -1.039269      5.988708
  C      -8.357711     -1.983934      3.491699
  C      -9.138366     -0.775612      3.189895
  O      -9.516821      0.074014      4.002198
  C      -9.453264     -0.427412      1.725086
  O      -8.768004     -0.721496      0.762901
  C      -8.314997     -3.033831      2.561081
  C      -7.518825     -4.176114      2.694107
  C      -7.487763     -5.065321      1.520053
  O      -8.391653     -5.175605      0.696492
  C      -2.047694     -5.764514      7.050242
  C      -0.710898     -5.923267      7.482624
  C      -0.339706     -5.685518      8.799859
  Cl      1.348389     -5.813557      9.149523
  C      -1.287943     -5.306299      9.797292
  C      -0.932704     -5.034557     11.204973
  O       0.062610     -5.467791     11.791719
  C      -1.815393     -4.082668     12.026876
  O      -2.653866     -3.316854     11.586188
  C      -2.627573     -5.236827      9.380359
  C      -3.027543     -5.456766      8.060194
  C      -4.426459     -5.589884      7.752784
  O      -4.900319     -5.675768      6.587028
  H      -4.319348     -2.355410      1.039228
  H      -5.404030      3.766000      3.932847
  H      -4.534591      0.429517      5.127113
  H      -3.989635     -1.314502      6.533396
  H      -6.306779     -3.455987      5.805991
  H     -10.333903      0.261305      1.645557
  H      -8.900324     -2.958176      1.644111
  H      -6.526791     -5.612051      1.356401
  H       0.070888     -6.181018      6.766605
  H      -1.539625     -4.112208     13.112372
  H      -3.405552     -5.034412     10.118411
  H      -5.129126     -5.671900      8.602141
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.887301881332
  N      -3.607589     -3.669386      3.282668
  C      -3.374552     -4.363504      2.008939
  C      -2.722379     -5.700921      2.283351
  N      -3.477174     -6.447997      3.334015
  C      -4.727703     -7.056533      2.752852
  C      -5.916340     -6.711380      3.644008
  N      -5.810941     -5.330459      4.106295
  Mo     -3.945845     -4.871433      4.878099
  N      -2.411784     -5.919369      5.751073
  C      -1.616058     -6.813660      4.902432
  C      -2.590040     -7.483956      3.942512
  H      -1.131840     -7.591343      5.514740
  H      -0.818437     -6.272436      4.363870
  H      -3.231789     -8.175648      4.505401
  H      -2.063671     -8.048358      3.153596
  H      -6.867567     -6.901855      3.124751
  H      -5.902760     -7.367458      4.534338
  H      -4.874462     -6.641445      1.746368
  H      -4.595479     -8.144090      2.648473
  H      -2.697944     -3.767162      1.374412
  H      -4.321174     -4.490707      1.451365
  H      -1.704439     -5.527278      2.658121
  H      -2.654928     -6.311358      1.366559
  C      -3.998869     -2.347498      3.194319
  C      -4.318803     -1.758147      1.945871
  C      -4.730329     -0.439852      1.831945
  Cl     -5.136864      0.118140      0.242676
  C      -4.777415      0.421526      2.966804
  C      -5.257137      1.814154      2.928392
  O      -6.037484      2.276687      2.098639
  C      -4.748011      2.840853      3.965131
  O      -3.785956      2.715264      4.696998
  C      -4.430109     -0.142784      4.194285
  C      -4.107803     -1.504546      4.360965
  C      -4.006422     -1.986139      5.686317
  O      -4.013640     -3.247879      5.991838
  C      -6.746776     -4.357697      3.876995
  C      -6.927210     -3.370094      4.889309
  C      -7.729676     -2.262321      4.716919
  Cl     -7.798241     -1.135687      6.040017
  C      -8.433803     -2.036593      3.496853
  C      -9.213493     -0.835667      3.190551
  O      -9.644601     -0.010570      4.002975
  C      -9.459532     -0.433477      1.723805
  O      -8.708491     -0.658610      0.792733
  C      -8.341421     -3.062596      2.545094
  C      -7.541159     -4.202007      2.685715
  C      -7.430687     -5.056676      1.495986
  O      -8.278009     -5.147536      0.609890
  C      -2.036441     -5.736448      7.050178
  C      -0.694817     -5.885547      7.471418
  C      -0.321280     -5.656025      8.789867
  Cl      1.372734     -5.762759      9.130042
  C      -1.262687     -5.301247      9.796717
  C      -0.908932     -5.062125     11.204695
  O       0.096139     -5.492521     11.778727
  C      -1.806332     -4.162579     12.069910
  O      -2.669779     -3.402343     11.669589
  C      -2.605367     -5.233205      9.385945
  C      -3.013157     -5.441847      8.066770
  C      -4.415452     -5.583043      7.782984
  O      -4.922204     -5.669854      6.629284
  H      -4.283841     -2.348654      1.032506
  H      -5.333183      3.792206      3.894983
  H      -4.482854      0.471721      5.093938
  H      -3.992030     -1.279650      6.523962
  H      -6.430904     -3.518115      5.845968
  H     -10.329789      0.264471      1.635062
  H      -8.883158     -2.966523      1.603542
  H      -6.464190     -5.604927      1.385188
  H       0.083208     -6.123498      6.746158
  H      -1.505255     -4.217145     13.146176
  H      -3.379196     -5.046931     10.132322
  H      -5.100379     -5.670890      8.644870
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.888247911430
  N      -3.613192     -3.656164      3.288820
  C      -3.414204     -4.359805      2.016379
  C      -2.751138     -5.692027      2.282071
  N      -3.490009     -6.445521      3.337709
  C      -4.739868     -7.062291      2.769755
  C      -5.929166     -6.723889      3.660242
  N      -5.838687     -5.344827      4.119140
  Mo     -3.967782     -4.863697      4.886112
  N      -2.401778     -5.882540      5.748355
  C      -1.612065     -6.771190      4.891829
  C      -2.591228     -7.462554      3.954217
  H      -1.104013     -7.536934      5.499131
  H      -0.832264     -6.223457      4.335994
  H      -3.224331     -8.150283      4.531492
  H      -2.068821     -8.036354      3.169831
  H      -6.877219     -6.926348      3.139445
  H      -5.914552     -7.377750      4.551704
  H      -4.889198     -6.649081      1.763341
  H      -4.598959     -8.148288      2.666486
  H      -2.757242     -3.770359      1.355880
  H      -4.374715     -4.491663      1.485620
  H      -1.730837     -5.515330      2.646815
  H      -2.689141     -6.300713      1.364439
  C      -3.998180     -2.334060      3.196450
  C      -4.306819     -1.744906      1.945350
  C      -4.708331     -0.424707      1.828423
  Cl     -5.079917      0.143166      0.234196
  C      -4.766192      0.434277      2.961926
  C      -5.245281      1.824670      2.926053
  O      -6.011916      2.295414      2.089339
  C      -4.746269      2.845969      3.973137
  O      -3.787835      2.721649      4.706862
  C      -4.433414     -0.129927      4.192571
  C      -4.116169     -1.492356      4.362553
  C      -4.028004     -1.969904      5.688552
  O      -4.038620     -3.226621      5.999131
  C      -6.768852     -4.372453      3.887511
  C      -6.923355     -3.365300      4.884381
  C      -7.706094     -2.248057      4.695234
  Cl     -7.747073     -1.092653      5.995368
  C      -8.414425     -2.031775      3.477160
  C      -9.172184     -0.826761      3.148223
  O      -9.598389      0.019263      3.940256
  C      -9.409281     -0.447241      1.674711
  O      -8.686354     -0.738249      0.742169
  C      -8.342232     -3.070878      2.539950
  C      -7.566338     -4.223688      2.697331
  C      -7.466958     -5.097636      1.523948
  O      -8.287535     -5.152455      0.611844
  C      -2.026059     -5.712446      7.045639
  C      -0.681607     -5.856445      7.459561
  C      -0.305589     -5.637929      8.777584
  Cl      1.392466     -5.722348      9.107791
  C      -1.244622     -5.304591      9.792839
  C      -0.894624     -5.097985     11.203628
  O       0.116443     -5.527113     11.766496
  C      -1.805401     -4.241973     12.097305
  O      -2.699221     -3.504500     11.728035
  C      -2.588260     -5.235229      9.386848
  C      -3.000395     -5.429680      8.066803
  C      -4.403409     -5.576907      7.799151
  O      -4.931862     -5.665360      6.657859
  H      -4.266352     -2.335315      1.034350
  H      -5.367687      3.774204      3.939027
  H      -4.492523      0.486334      5.088990
  H      -4.020611     -1.265331      6.527572
  H      -6.408007     -3.497678      5.832021
  H     -10.308290      0.206646      1.560746
  H      -8.877818     -2.974067      1.595558
  H      -6.530244     -5.697178      1.448398
  H       0.093849     -6.074586      6.727632
  H      -1.507040     -4.336764     13.169866
  H      -3.358122     -5.061867     10.138398
  H      -5.074568     -5.670574      8.670530
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.888514571884
  N      -3.616102     -3.653276      3.288278
  C      -3.436643     -4.363887      2.018302
  C      -2.761184     -5.690479      2.279625
  N      -3.489346     -6.448421      3.337235
  C      -4.732575     -7.079113      2.778427
  C      -5.927826     -6.746114      3.663448
  N      -5.850777     -5.367619      4.113076
  Mo     -3.984448     -4.864882      4.883648
  N      -2.393473     -5.848362      5.743441
  C      -1.604143     -6.732889      4.886495
  C      -2.583364     -7.445755      3.966576
  H      -1.075568     -7.485668      5.491437
  H      -0.840243     -6.178997      4.316643
  H      -3.209757     -8.128291      4.557200
  H      -2.059537     -8.030580      3.191607
  H      -6.870900     -6.963567      3.139673
  H      -5.913599     -7.392681      4.559845
  H      -4.882660     -6.673469      1.770018
  H      -4.583092     -8.164034      2.681149
  H      -2.797073     -3.780202      1.336890
  H      -4.406559     -4.502785      1.508601
  H      -1.740567     -5.507430      2.637930
  H      -2.698711     -6.296601      1.360970
  C      -4.002489     -2.334712      3.192530
  C      -4.294932     -1.740839      1.939806
  C      -4.689607     -0.420469      1.822026
  Cl     -5.017449      0.162854      0.224906
  C      -4.769681      0.432796      2.957620
  C      -5.253730      1.820368      2.921950
  O      -6.005080      2.294335      2.074656
  C      -4.781308      2.831522      3.989070
  O      -3.797021      2.733670      4.687803
  C      -4.458445     -0.134846      4.190874
  C      -4.139942     -1.497148      4.360021
  C      -4.065789     -1.973400      5.686277
  O      -4.072535     -3.222370      5.999428
  C      -6.772120     -4.391735      3.882131
  C      -6.883765     -3.367710      4.866632
  C      -7.645534     -2.238243      4.676356
  Cl     -7.634738     -1.059675      5.955043
  C      -8.379508     -2.027313      3.473597
  C      -9.127121     -0.817278      3.145047
  O      -9.537370      0.037917      3.934284
  C      -9.393334     -0.460534      1.672744
  O      -8.650618     -0.706194      0.746066
  C      -8.344235     -3.076773      2.547527
  C      -7.588523     -4.241462      2.703763
  C      -7.529504     -5.128304      1.538912
  O      -8.345363     -5.146534      0.624217
  C      -2.023759     -5.689345      7.040095
  C      -0.678583     -5.826143      7.455024
  C      -0.306094     -5.614744      8.772716
  Cl      1.392545     -5.676610      9.104174
  C      -1.249520     -5.300124      9.790743
  C      -0.905875     -5.121589     11.205540
  O       0.109485     -5.549943     11.758461
  C      -1.828105     -4.300231     12.118294
  O      -2.716941     -3.551336     11.768903
  C      -2.591935     -5.234594      9.383707
  C      -3.000868     -5.418425      8.060513
  C      -4.402022     -5.575419      7.799298
  O      -4.940816     -5.670512      6.667997
  H      -4.241633     -2.325923      1.028043
  H      -5.397281      3.760948      3.936749
  H      -4.532384      0.478426      5.086240
  H      -4.071477     -1.269369      6.526379
  H      -6.339649     -3.491388      5.798877
  H     -10.240927      0.260064      1.585404
  H      -8.893417     -2.979339      1.612318
  H      -6.628384     -5.775852      1.471353
  H       0.098604     -6.026194      6.721856
  H      -1.502567     -4.392485     13.181745
  H      -3.361722     -5.073346     10.135368
  H      -5.064771     -5.674315      8.676463
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.889235992479
  N      -3.619566     -3.657096      3.286224
  C      -3.443041     -4.369563      2.015545
  C      -2.769327     -5.697724      2.277533
  N      -3.495957     -6.450817      3.340023
  C      -4.739994     -7.085672      2.787647
  C      -5.931066     -6.747237      3.677438
  N      -5.849858     -5.363790      4.115130
  Mo     -3.984184     -4.864665      4.881922
  N      -2.395367     -5.846790      5.741285
  C      -1.607718     -6.735823      4.885921
  C      -2.590953     -7.449212      3.970426
  H      -1.078047     -7.488056      5.490970
  H      -0.844997     -6.183589      4.311772
  H      -3.216994     -8.126833      4.567355
  H      -2.069962     -8.040295      3.197603
  H      -6.876955     -6.969624      3.161318
  H      -5.910270     -7.386615      4.579285
  H      -4.897414     -6.686887      1.777234
  H      -4.592767     -8.171906      2.696221
  H      -2.804243     -3.788776      1.330602
  H      -4.415859     -4.507811      1.509960
  H      -1.746898     -5.514236      2.631160
  H      -2.710511     -6.305075      1.358887
  C      -3.997917     -2.335775      3.193020
  C      -4.285259     -1.734790      1.941963
  C      -4.665218     -0.409685      1.826872
  Cl     -4.991625      0.180478      0.232198
  C      -4.738101      0.442219      2.965348
  C      -5.212011      1.834839      2.930626
  O      -5.946086      2.318707      2.073539
  C      -4.734354      2.839230      4.001556
  O      -3.756533      2.727440      4.708727
  C      -4.432321     -0.132100      4.197072
  C      -4.124870     -1.497707      4.362072
  C      -4.051242     -1.977622      5.688373
  O      -4.064801     -3.226926      6.000475
  C      -6.768787     -4.386510      3.867735
  C      -6.915333     -3.374065      4.860977
  C      -7.695886     -2.256250      4.673352
  Cl     -7.738452     -1.099289      5.970233
  C      -8.415620     -2.044162      3.462051
  C      -9.191463     -0.846269      3.145617
  O      -9.610376     -0.005672      3.946233
  C      -9.435827     -0.462366      1.675662
  O      -8.684971     -0.695100      0.750918
  C      -8.346854     -3.082610      2.524841
  C      -7.570648     -4.235042      2.677678
  C      -7.486249     -5.105043      1.499277
  O      -8.299059     -5.128929      0.581173
  C      -2.024400     -5.687610      7.039251
  C      -0.678850     -5.827381      7.454309
  C      -0.303368     -5.612517      8.770784
  Cl      1.394225     -5.683295      9.103023
  C      -1.245540     -5.292039      9.789328
  C      -0.895722     -5.112902     11.204560
  O       0.125182     -5.537979     11.750304
  C      -1.806872     -4.277964     12.117696
  O      -2.698672     -3.530571     11.769935
  C      -2.588307     -5.225611      9.384034
  C      -2.999092     -5.411514      8.061051
  C      -4.401138     -5.565795      7.799404
  O      -4.937241     -5.664752      6.667024
  H      -4.239125     -2.317785      1.027146
  H      -5.364497      3.761788      3.977143
  H      -4.501116      0.478794      5.095577
  H      -4.051169     -1.271495      6.527467
  H      -6.398004     -3.506331      5.807689
  H     -10.313263      0.222734      1.579767
  H      -8.889025     -2.987929      1.584925
  H      -6.577309     -5.742745      1.432570
  H       0.097955     -6.032991      6.720802
  H      -1.486696     -4.379088     13.183312
  H      -3.357666     -5.059680     10.136185
  H      -5.064460     -5.659220      8.677725
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.889319900011
  N      -3.633665     -3.651902      3.294611
  C      -3.467742     -4.363827      2.021125
  C      -2.794294     -5.693657      2.276594
  N      -3.512752     -6.446010      3.345142
  C      -4.758836     -7.085018      2.802400
  C      -5.944364     -6.745117      3.700330
  N      -5.860125     -5.359548      4.132984
  Mo     -3.991622     -4.860494      4.888802
  N      -2.394523     -5.834228      5.738080
  C      -1.612014     -6.725080      4.877954
  C      -2.602742     -7.442258      3.972902
  H      -1.074110     -7.475163      5.478554
  H      -0.856519     -6.171533      4.294895
  H      -3.223795     -8.115810      4.579833
  H      -2.087491     -8.039365      3.200330
  H      -6.893564     -6.969559      3.190521
  H      -5.916826     -7.381755      4.603999
  H      -4.926454     -6.689953      1.791764
  H      -4.612264     -8.171848      2.712896
  H      -2.833985     -3.784968      1.329715
  H      -4.446420     -4.500003      1.525473
  H      -1.768464     -5.510537      2.620943
  H      -2.743336     -6.299330      1.356058
  C      -4.001111     -2.326716      3.207851
  C      -4.283822     -1.716188      1.960142
  C      -4.647994     -0.385848      1.850677
  Cl     -4.969877      0.214532      0.258838
  C      -4.711246      0.462197      2.993662
  C      -5.170702      1.860920      2.965787
  O      -5.896914      2.358891      2.109901
  C      -4.710871      2.844806      4.062998
  O      -3.717210      2.738012      4.749916
  C      -4.412237     -0.122368      4.222488
  C      -4.117470     -1.491619      4.380423
  C      -4.044379     -1.977925      5.705750
  O      -4.063461     -3.228403      6.015292
  C      -6.772911     -4.380681      3.864648
  C      -6.928293     -3.352822      4.841624
  C      -7.708005     -2.237552      4.632259
  Cl     -7.760769     -1.062068      5.911730
  C      -8.417127     -2.042971      3.410876
  C      -9.197633     -0.852234      3.073169
  O      -9.634259     -0.007902      3.860333
  C      -9.462242     -0.506449      1.596841
  O      -8.732252     -0.776071      0.664420
  C      -8.341413     -3.096366      2.490866
  C      -7.567165     -4.247544      2.667710
  C      -7.487031     -5.145086      1.508364
  O      -8.284783     -5.164542      0.575991
  C      -2.017834     -5.680496      7.036504
  C      -0.669764     -5.821397      7.444959
  C      -0.286106     -5.609081      8.759722
  Cl      1.412989     -5.680361      9.082150
  C      -1.223635     -5.290188      9.784252
  C      -0.865829     -5.114620     11.199233
  O       0.151926     -5.552151     11.741440
  C      -1.787451     -4.306090     12.126596
  O      -2.686365     -3.560644     11.790860
  C      -2.568175     -5.222869      9.386145
  C      -2.986318     -5.406155      8.064629
  C      -4.390472     -5.560188      7.809816
  O      -4.931465     -5.662063      6.679532
  H      -4.246232     -2.295397      1.041508
  H      -5.340440      3.768839      4.046147
  H      -4.474732      0.484209      5.125354
  H      -4.037909     -1.271424      6.544885
  H      -6.425060     -3.474345      5.797631
  H     -10.374133      0.131279      1.485654
  H      -8.880822     -3.019470      1.547095
  H      -6.588835     -5.802247      1.464552
  H       0.103654     -6.025431      6.706398
  H      -1.463278     -4.419029     13.190743
  H      -3.334069     -5.055960     10.142807
  H      -5.048541     -5.650733      8.692991
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.889399556577
  N      -3.647291     -3.648721      3.297893
  C      -3.492470     -4.361619      2.022877
  C      -2.816325     -5.691140      2.272913
  N      -3.524920     -6.443595      3.347387
  C      -4.769584     -7.091113      2.813418
  C      -5.952910     -6.752010      3.715884
  N      -5.871814     -5.364563      4.143278
  Mo     -4.002845     -4.857833      4.890542
  N      -2.392264     -5.811925      5.732623
  C      -1.612080     -6.703367      4.869496
  C      -2.607158     -7.431325      3.977175
  H      -1.061944     -7.447168      5.466629
  H      -0.867022     -6.146588      4.276046
  H      -3.221419     -8.100488      4.595983
  H      -2.094912     -8.035808      3.208060
  H      -6.903475     -6.982818      3.210964
  H      -5.918477     -7.384545      4.621948
  H      -4.945346     -6.701649      1.801832
  H      -4.619998     -8.177971      2.727624
  H      -2.865980     -3.785257      1.322948
  H      -4.477216     -4.497813      1.539039
  H      -1.787748     -5.506092      2.607918
  H      -2.771528     -6.295334      1.351045
  C      -4.001756     -2.319868      3.215429
  C      -4.274991     -1.700793      1.969886
  C      -4.622126     -0.365522      1.863958
  Cl     -4.930871      0.244533      0.273192
  C      -4.680364      0.478928      3.010620
  C      -5.125256      1.883090      2.988944
  O      -5.822986      2.401651      2.121912
  C      -4.675104      2.849102      4.105395
  O      -3.696880      2.720041      4.811198
  C      -4.393321     -0.115058      4.237826
  C      -4.112934     -1.487743      4.390720
  C      -4.047277     -1.979135      5.715662
  O      -4.072839     -3.229565      6.024402
  C      -6.780011     -4.385566      3.859767
  C      -6.930682     -3.341762      4.821084
  C      -7.706149     -2.226257      4.596837
  Cl     -7.748453     -1.030218      5.857113
  C      -8.415257     -2.046693      3.372277
  C      -9.198946     -0.861012      3.020049
  O      -9.642094     -0.011134      3.797436
  C      -9.486729     -0.549008      1.540640
  O      -8.751389     -0.807294      0.608832
  C      -8.344129     -3.114191      2.468644
  C      -7.575595     -4.267121      2.662386
  C      -7.514804     -5.190966      1.521856
  O      -8.307349     -5.205323      0.584319
  C      -2.013383     -5.664696      7.031901
  C      -0.663205     -5.802655      7.435810
  C      -0.274559     -5.593899      8.749551
  Cl      1.425915     -5.657325      9.064273
  C      -1.210474     -5.282169      9.779009
  C      -0.849070     -5.114137     11.194835
  O       0.172652     -5.549927     11.730744
  C      -1.776289     -4.323488     12.132619
  O      -2.695453     -3.597529     11.808380
  C      -2.555847     -5.216186      9.385393
  C      -2.978308     -5.396304      8.064404
  C      -4.383605     -5.554499      7.815472
  O      -4.929383     -5.662310      6.688136
  H      -4.243392     -2.276607      1.048417
  H      -5.347311      3.741951      4.151583
  H      -4.452853      0.487553      5.143984
  H      -4.039105     -1.271551      6.554123
  H      -6.429262     -3.452149      5.779580
  H     -10.391817      0.099342      1.432384
  H      -8.886774     -3.051963      1.525343
  H      -6.642449     -5.883922      1.501543
  H       0.108475     -6.000215      6.693247
  H      -1.461598     -4.461880     13.197030
  H      -3.319794     -5.051716     10.145093
  H      -5.036072     -5.643062      8.703303
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.889690722963
  N      -3.648729     -3.652364      3.291334
  C      -3.494134     -4.365845      2.016919
  C      -2.812576     -5.692330      2.267202
  N      -3.517372     -6.447217      3.341698
  C      -4.755257     -7.104796      2.806938
  C      -5.943699     -6.770921      3.704918
  N      -5.874842     -5.382376      4.128683
  Mo     -4.011228     -4.862129      4.881621
  N      -2.392032     -5.795896      5.728641
  C      -1.605095     -6.683544      4.868092
  C      -2.593872     -7.423707      3.978688
  H      -1.047383     -7.420285      5.466416
  H      -0.865949     -6.121656      4.272744
  H      -3.204451     -8.093178      4.600800
  H      -2.076168     -8.029729      3.214762
  H      -6.891480     -7.012691      3.200874
  H      -5.904826     -7.398984      4.613502
  H      -4.929843     -6.719780      1.793754
  H      -4.597989     -8.190606      2.725045
  H      -2.871114     -3.789421      1.314448
  H      -4.479598     -4.505008      1.536114
  H      -1.784730     -5.502941      2.601348
  H      -2.765241     -6.295944      1.345426
  C      -3.996368     -2.322497      3.208124
  C      -4.259167     -1.700951      1.962026
  C      -4.599288     -0.364231      1.855412
  Cl     -4.891669      0.249221      0.263000
  C      -4.662088      0.478936      3.002570
  C      -5.101231      1.884629      2.980759
  O      -5.772466      2.414003      2.099770
  C      -4.651352      2.846955      4.099896
  O      -3.651990      2.733208      4.777428
  C      -4.387947     -0.118549      4.230919
  C      -4.114671     -1.492418      4.383950
  C      -4.063178     -1.985048      5.708963
  O      -4.093268     -3.234233      6.018230
  C      -6.787240     -4.406514      3.851401
  C      -6.929000     -3.369941      4.821590
  C      -7.706367     -2.253258      4.614532
  Cl     -7.735679     -1.067511      5.884460
  C      -8.429049     -2.064557      3.399535
  C      -9.221947     -0.879668      3.067577
  O      -9.637647     -0.026606      3.856094
  C      -9.492158     -0.534933      1.592805
  O      -8.747111     -0.774315      0.664356
  C      -8.361965     -3.121572      2.484410
  C      -7.590948     -4.275733      2.659258
  C      -7.541682     -5.182831      1.505307
  O      -8.343597     -5.182194      0.576111
  C      -2.020571     -5.652578      7.029749
  C      -0.671388     -5.783612      7.438418
  C      -0.289179     -5.578143      8.754053
  Cl      1.410453     -5.629455      9.074613
  C      -1.231278     -5.277262      9.781306
  C      -0.876548     -5.118247     11.199659
  O       0.155686     -5.534530     11.730066
  C      -1.795281     -4.314264     12.134128
  O      -2.705027     -3.578259     11.808135
  C      -2.574916     -5.216060      9.382141
  C      -2.990963     -5.393472      8.058735
  C      -4.394410     -5.559474      7.806086
  O      -4.937674     -5.672059      6.678903
  H      -4.225151     -2.275451      1.040492
  H      -5.310122      3.749396      4.134192
  H      -4.452415      0.482090      5.137153
  H      -4.062631     -1.277165      6.547132
  H      -6.415740     -3.486459      5.773016
  H     -10.389049      0.124497      1.490449
  H      -8.909633     -3.049837      1.545124
  H      -6.682042     -5.887805      1.472620
  H       0.104049     -5.972037      6.698128
  H      -1.465453     -4.433064     13.195666
  H      -3.342448     -5.059375     10.138817
  H      -5.047564     -5.650387      8.692835
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.889776782616
  N      -3.661318     -3.651678      3.294631
  C      -3.513598     -4.364897      2.018903
  C      -2.829983     -5.690932      2.265452
  N      -3.526840     -6.445745      3.345343
  C      -4.765229     -7.109108      2.818211
  C      -5.950111     -6.776504      3.721444
  N      -5.883773     -5.385651      4.138809
  Mo     -4.018933     -4.860442      4.885396
  N      -2.392522     -5.785110      5.727149
  C      -1.605948     -6.670741      4.863475
  C      -2.596026     -7.416881      3.980272
  H      -1.042065     -7.404442      5.459698
  H      -0.872355     -6.105968      4.263962
  H      -3.200950     -8.086920      4.607357
  H      -2.079725     -8.022934      3.215455
  H      -6.899934     -7.023847      3.224525
  H      -5.902920     -7.400326      4.632613
  H      -4.946383     -6.727231      1.804905
  H      -4.604604     -8.194612      2.738640
  H      -2.894265     -3.788195      1.313495
  H      -4.501986     -4.504188      1.543940
  H      -1.799924     -5.500427      2.592167
  H      -2.788512     -6.295161      1.343793
  C      -4.001546     -2.319477      3.213673
  C      -4.263357     -1.695478      1.968756
  C      -4.593349     -0.355881      1.863481
  Cl     -4.884816      0.259255      0.271403
  C      -4.647556      0.486770      3.011363
  C      -5.071454      1.896921      2.992398
  O      -5.731130      2.439083      2.110369
  C      -4.631940      2.846816      4.125922
  O      -3.627886      2.733458      4.797011
  C      -4.378478     -0.114832      4.239050
  C      -4.114232     -1.490500      4.390767
  C      -4.063976     -1.984461      5.715397
  O      -4.098128     -3.234172      6.024802
  C      -6.794489     -4.411291      3.850848
  C      -6.937651     -3.367816      4.813759
  C      -7.711778     -2.250677      4.597323
  Cl     -7.746107     -1.059194      5.861843
  C      -8.430378     -2.068492      3.378823
  C      -9.223902     -0.886518      3.038793
  O      -9.649306     -0.033599      3.822342
  C      -9.501497     -0.554717      1.562438
  O      -8.758669     -0.797793      0.632918
  C      -8.359636     -3.130036      2.469543
  C      -7.591135     -4.284863      2.653272
  C      -7.537901     -5.196412      1.502886
  O      -8.322556     -5.181249      0.558789
  C      -2.018459     -5.644603      7.028281
  C      -0.667889     -5.772896      7.432782
  C      -0.282324     -5.570045      8.748091
  Cl      1.418223     -5.619964      9.063678
  C      -1.222407     -5.274331      9.778479
  C      -0.864450     -5.117766     11.196236
  O       0.164065     -5.543723     11.726246
  C      -1.789447     -4.330557     12.138944
  O      -2.697160     -3.589075     11.819391
  C      -2.567241     -5.215538      9.383033
  C      -2.986660     -5.390521      8.060407
  C      -4.390651     -5.558907      7.811564
  O      -4.936396     -5.673535      6.685496
  H      -4.235876     -2.269611      1.046761
  H      -5.295811      3.744812      4.172451
  H      -4.437007      0.485212      5.146263
  H      -4.060418     -1.276211      6.553189
  H      -6.428401     -3.479533      5.768002
  H     -10.409035      0.089338      1.455801
  H      -8.902164     -3.062688      1.526877
  H      -6.673420     -5.895083      1.469951
  H       0.105984     -5.957541      6.689840
  H      -1.453859     -4.451748     13.198374
  H      -3.333251     -5.063027     10.142194
  H      -5.041166     -5.650331      8.700130
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.889751112979
  N      -3.684618     -3.645357      3.303284
  C      -3.547683     -4.355787      2.024033
  C      -2.860808     -5.681541      2.262047
  N      -3.543608     -6.437610      3.350382
  C      -4.782659     -7.110388      2.835399
  C      -5.961390     -6.781745      3.748315
  N      -5.899782     -5.387991      4.158596
  Mo     -4.032302     -4.854420      4.893049
  N      -2.392454     -5.763148      5.723172
  C      -1.606764     -6.643906      4.852188
  C      -2.599377     -7.399989      3.979804
  H      -1.031404     -7.372812      5.443297
  H      -0.883684     -6.073000      4.245567
  H      -3.193552     -8.071886      4.615266
  H      -2.085830     -8.004941      3.212257
  H      -6.914774     -7.036747      3.262425
  H      -5.900136     -7.400560      4.662112
  H      -4.975248     -6.732199      1.822673
  H      -4.615989     -8.195209      2.757827
  H      -2.934116     -3.777173      1.315304
  H      -4.540638     -4.494491      1.558296
  H      -1.826879     -5.489775      2.575812
  H      -2.829954     -6.285631      1.339840
  C      -4.010907     -2.308610      3.228549
  C      -4.271458     -1.678019      1.986972
  C      -4.582077     -0.332925      1.886377
  Cl     -4.875388      0.287139      0.296279
  C      -4.618805      0.506977      3.036851
  C      -5.012881      1.925406      3.025293
  O      -5.645941      2.493961      2.140088
  C      -4.592144      2.851004      4.185233
  O      -3.572187      2.745431      4.834349
  C      -4.358770     -0.104245      4.262246
  C      -4.112127     -1.483506      4.409343
  C      -4.063635     -1.982059      5.732512
  O      -4.105600     -3.233339      6.040258
  C      -6.807765     -4.417287      3.850553
  C      -6.951310     -3.355654      4.794135
  C      -7.719032     -2.238687      4.554529
  Cl     -7.756710     -1.026962      5.799795
  C      -8.430678     -2.075399      3.328815
  C      -9.222915     -0.899569      2.966087
  O      -9.663223     -0.040317      3.734570
  C      -9.514373     -0.601948      1.485138
  O      -8.773617     -0.855531      0.556156
  C      -8.358349     -3.152615      2.438736
  C      -7.596374     -4.308438      2.646320
  C      -7.545848     -5.243765      1.514775
  O      -8.333991     -5.248538      0.572602
  C      -2.013101     -5.629776      7.024577
  C      -0.659835     -5.752981      7.420862
  C      -0.267822     -5.556845      8.735840
  Cl      1.434499     -5.603114      9.041727
  C      -1.204064     -5.272679      9.772541
  C      -0.840153     -5.121944     11.189348
  O       0.187520     -5.555035     11.715324
  C      -1.770996     -4.355940     12.144101
  O      -2.696677     -3.631465     11.836168
  C      -2.551138     -5.217756      9.384362
  C      -2.977074     -5.386869      8.063092
  C      -4.382035     -5.559816      7.821116
  O      -4.932124     -5.676555      6.696714
  H      -4.257844     -2.250115      1.063246
  H      -5.256102      3.748094      4.243307
  H      -4.405661      0.493108      5.172334
  H      -4.053553     -1.274427      6.570694
  H      -6.447435     -3.452612      5.752985
  H     -10.437158      0.018467      1.368047
  H      -8.895273     -3.100757      1.491650
  H      -6.709166     -5.976730      1.516511
  H       0.111134     -5.929010      6.672575
  H      -1.450124     -4.509121     13.204063
  H      -3.314241     -5.073695     10.148522
  H      -5.027798     -5.653595      8.712853
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.889897867843
  N      -3.686926     -3.643908      3.302711
  C      -3.548160     -4.352678      2.022652
  C      -2.860194     -5.678014      2.259801
  N      -3.542060     -6.435337      3.347723
  C      -4.778905     -7.110817      2.831639
  C      -5.959094     -6.785031      3.743804
  N      -5.901835     -5.391431      4.155082
  Mo     -4.035553     -4.853966      4.890639
  N      -2.393174     -5.757208      5.721021
  C      -1.605130     -6.635579      4.849708
  C      -2.595717     -7.394963      3.977890
  H      -1.027327     -7.362813      5.440434
  H      -0.884132     -6.062300      4.242946
  H      -3.188163     -8.067899      4.613829
  H      -2.080485     -7.999010      3.210795
  H      -6.911961     -7.042521      3.257908
  H      -5.895930     -7.403558      4.657472
  H      -4.971054     -6.732756      1.818890
  H      -4.609613     -8.195201      2.754024
  H      -2.934315     -3.772850      1.315306
  H      -4.540471     -4.491593      1.556074
  H      -1.826401     -5.485671      2.573483
  H      -2.829001     -6.281495      1.337292
  C      -4.009375     -2.306151      3.229513
  C      -4.266657     -1.672696      1.988824
  C      -4.571457     -0.326124      1.889995
  Cl     -4.863777      0.296720      0.300882
  C      -4.605763      0.512059      3.041703
  C      -4.991642      1.932502      3.032197
  O      -5.602091      2.511952      2.138231
  C      -4.566855      2.853846      4.193761
  O      -3.552190      2.737036      4.849345
  C      -4.350463     -0.102472      4.266435
  C      -4.109778     -1.482942      4.411776
  C      -4.065804     -1.983625      5.734299
  O      -4.111218     -3.234996      6.040598
  C      -6.812373     -4.423089      3.847802
  C      -6.953965     -3.359677      4.789819
  C      -7.724212     -2.244365      4.550901
  Cl     -7.755577     -1.027979      5.791646
  C      -8.440140     -2.084591      3.327123
  C      -9.234742     -0.910549      2.964124
  O      -9.664188     -0.044351      3.730938
  C      -9.521881     -0.611724      1.482814
  O      -8.776842     -0.862382      0.556565
  C      -8.371448     -3.164462      2.440260
  C      -7.608925     -4.319827      2.648366
  C      -7.571345     -5.263375      1.523292
  O      -8.359852     -5.263609      0.581474
  C      -2.015809     -5.626473      7.023276
  C      -0.662793     -5.747321      7.420840
  C      -0.272869     -5.553875      8.736806
  Cl      1.429185     -5.595288      9.044582
  C      -1.211026     -5.274249      9.772922
  C      -0.848798     -5.126326     11.190509
  O       0.183989     -5.550266     11.713778
  C      -1.775783     -4.353294     12.143276
  O      -2.687914     -3.613339     11.832199
  C      -2.557658     -5.220903      9.383240
  C      -2.981618     -5.388236      8.061054
  C      -4.385864     -5.563800      7.817346
  O      -4.934348     -5.680444      6.692314
  H      -4.255913     -2.243515      1.064350
  H      -5.238166      3.744051      4.269184
  H      -4.396454      0.493377      5.177428
  H      -4.056091     -1.277060      6.573379
  H      -6.445328     -3.453350      5.746430
  H     -10.440849      0.013838      1.364193
  H      -8.913751     -3.116664      1.496021
  H      -6.739607     -6.001705      1.524566
  H       0.109567     -5.919019      6.673092
  H      -1.435475     -4.480011     13.200573
  H      -3.321965     -5.080024     10.146684
  H      -5.032482     -5.659605      8.708214
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.889718178294
  N      -3.689626     -3.645608      3.298827
  C      -3.550418     -4.354435      2.018784
  C      -2.859436     -5.678137      2.256330
  N      -3.538098     -6.435527      3.346099
  C      -4.772070     -7.116980      2.831698
  C      -5.952953     -6.794188      3.743935
  N      -5.903131     -5.398978      4.149891
  Mo     -4.038660     -4.853993      4.886804
  N      -2.392426     -5.748414      5.718849
  C      -1.600509     -6.623483      4.848035
  C      -2.587575     -7.389465      3.978103
  H      -1.018754     -7.347137      5.439198
  H      -0.882888     -6.047183      4.240405
  H      -3.176705     -8.064041      4.615273
  H      -2.069596     -7.992133      3.211862
  H      -6.905602     -7.059775      3.262338
  H      -5.883313     -7.407875      4.660124
  H      -4.965080     -6.741371      1.818358
  H      -4.597950     -8.200673      2.756383
  H      -2.937752     -3.773682      1.311386
  H      -4.542433     -4.495362      1.552676
  H      -1.825597     -5.483814      2.568162
  H      -2.828748     -6.282871      1.334787
  C      -4.008216     -2.307052      3.225116
  C      -4.263433     -1.672820      1.984617
  C      -4.560577     -0.324584      1.885598
  Cl     -4.854025      0.298193      0.296835
  C      -4.589245      0.513989      3.037040
  C      -4.960777      1.937727      3.027439
  O      -5.544486      2.530142      2.124066
  C      -4.538729      2.852806      4.194377
  O      -3.521775      2.735420      4.846215
  C      -4.339705     -0.102355      4.262044
  C      -4.106826     -1.484088      4.407856
  C      -4.068141     -1.984750      5.730312
  O      -4.118256     -3.235418      6.036878
  C      -6.817908     -4.434257      3.845142
  C      -6.955354     -3.372569      4.789919
  C      -7.729966     -2.258930      4.558983
  Cl     -7.752322     -1.042987      5.800069
  C      -8.454952     -2.098609      3.340797
  C      -9.253579     -0.925714      2.984387
  O      -9.668287     -0.054236      3.753328
  C      -9.538288     -0.619441      1.504616
  O      -8.784874     -0.854332      0.581366
  C      -8.390093     -3.176229      2.451460
  C      -7.624646     -4.330923      2.651557
  C      -7.598375     -5.270931      1.523429
  O      -8.371417     -5.239915      0.569643
  C      -2.017803     -5.619046      7.021790
  C      -0.665117     -5.735046      7.421281
  C      -0.278485     -5.543187      8.738341
  Cl      1.423231     -5.576088      9.048965
  C      -1.219602     -5.269648      9.773156
  C      -0.861024     -5.123375     11.191675
  O       0.178241     -5.532781     11.713194
  C      -1.784553     -4.339973     12.139107
  O      -2.711607     -3.620710     11.824734
  C      -2.565633     -5.219819      9.381283
  C      -2.986585     -5.386526      8.058014
  C      -4.389552     -5.566760      7.812119
  O      -4.935893     -5.684200      6.686531
  H      -4.258093     -2.244124      1.060603
  H      -5.210574      3.741824      4.275113
  H      -4.383428      0.493618      5.172715
  H      -4.058452     -1.278636      6.569760
  H      -6.438103     -3.465966      5.741939
  H     -10.447627      0.020308      1.390186
  H      -8.938709     -3.127450      1.510939
  H      -6.749427     -5.987374      1.497213
  H       0.109301     -5.901025      6.674660
  H      -1.463808     -4.483599     13.200176
  H      -3.331596     -5.083016     10.143558
  H      -5.037504     -5.665382      8.701618
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.889977861909
  N      -3.695416     -3.643618      3.301443
  C      -3.560138     -4.351821      2.020452
  C      -2.868184     -5.675444      2.255500
  N      -3.542813     -6.432953      3.347926
  C      -4.777760     -7.116365      2.837534
  C      -5.956069     -6.794166      3.753168
  N      -5.906779     -5.397741      4.155389
  Mo     -4.041272     -4.851748      4.889606
  N      -2.392500     -5.744328      5.718476
  C      -1.601083     -6.617850      4.845391
  C      -2.588915     -7.385383      3.977568
  H      -1.017029     -7.340885      5.435087
  H      -0.885655     -6.040139      4.236476
  H      -3.175356     -8.061035      4.616086
  H      -2.071874     -7.986912      3.209796
  H      -6.909940     -7.062236      3.275726
  H      -5.881903     -7.405569      4.670612
  H      -4.974297     -6.741461      1.824539
  H      -4.602393     -8.199902      2.762563
  H      -2.949408     -3.770371      1.311936
  H      -4.553600     -4.492776      1.557176
  H      -1.833194     -5.480958      2.563442
  H      -2.840943     -6.280509      1.334043
  C      -4.011886     -2.304288      3.228992
  C      -4.268957     -1.669459      1.989266
  C      -4.561969     -0.320137      1.890935
  Cl     -4.858417      0.302513      0.302614
  C      -4.584743      0.518426      3.042533
  C      -4.947089      1.944328      3.034350
  O      -5.526097      2.543037      2.131962
  C      -4.534183      2.852896      4.209491
  O      -3.517929      2.735940      4.862777
  C      -4.336289     -0.099478      4.267133
  C      -4.106957     -1.481832      4.412385
  C      -4.066931     -1.983009      5.734521
  O      -4.118615     -3.234074      6.040816
  C      -6.819651     -4.433441      3.844261
  C      -6.955969     -3.366446      4.783409
  C      -7.727260     -2.251966      4.545656
  Cl     -7.751302     -1.031389      5.782246
  C      -8.450390     -2.096326      3.325737
  C      -9.246853     -0.924242      2.962559
  O      -9.668168     -0.051927      3.727033
  C      -9.538826     -0.629728      1.481780
  O      -8.790784     -0.873536      0.556305
  C      -8.385089     -3.177693      2.441045
  C      -7.621573     -4.332749      2.647092
  C      -7.590435     -5.274909      1.520739
  O      -8.378876     -5.266619      0.578944
  C      -2.016135     -5.616472      7.021285
  C      -0.662824     -5.731770      7.418554
  C      -0.274429     -5.541557      8.735501
  Cl      1.427771     -5.575010      9.043582
  C      -1.214224     -5.270204      9.771917
  C      -0.853924     -5.124842     11.190083
  O       0.179479     -5.546603     11.713513
  C      -1.784243     -4.356374     12.143203
  O      -2.701570     -3.623173     11.832291
  C      -2.560971     -5.221506      9.382069
  C      -2.983743     -5.386440      8.059182
  C      -4.386944     -5.567267      7.814975
  O      -4.934432     -5.684128      6.689666
  H      -4.268004     -2.240911      1.065276
  H      -5.212230      3.736463      4.297468
  H      -4.376047      0.496509      5.178106
  H      -4.054639     -1.277239      6.574198
  H      -6.440703     -3.456464      5.736924
  H     -10.456967     -0.003148      1.364157
  H      -8.930489     -3.131514      1.498464
  H      -6.757094     -6.009939      1.511913
  H       0.110706     -5.896157      6.670598
  H      -1.452615     -4.492731     13.201888
  H      -3.326038     -5.087021     10.145711
  H      -5.033912     -5.667192      8.705023
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890005298682
  N      -3.705690     -3.638293      3.307819
  C      -3.574965     -4.343938      2.024689
  C      -2.881177     -5.667458      2.254906
  N      -3.550066     -6.426477      3.350027
  C      -4.785716     -7.112223      2.843807
  C      -5.960743     -6.792907      3.764419
  N      -5.913811     -5.395710      4.164673
  Mo     -4.046427     -4.847692      4.894861
  N      -2.393334     -5.737708      5.717744
  C      -1.602371     -6.607534      4.840269
  C      -2.591139     -7.377115      3.975214
  H      -1.014148     -7.329831      5.426790
  H      -0.890890     -6.026677      4.229658
  H      -3.173260     -8.055149      4.615138
  H      -2.075267     -7.976030      3.204601
  H      -6.916188     -7.063869      3.291507
  H      -5.880237     -7.402859      4.682288
  H      -4.986923     -6.736486      1.832014
  H      -4.608211     -8.195348      2.767317
  H      -2.966920     -3.760409      1.315602
  H      -4.570049     -4.484862      1.564844
  H      -1.844716     -5.472867      2.557870
  H      -2.858462     -6.271948      1.332939
  C      -4.017817     -2.297493      3.239022
  C      -4.277498     -1.659597      2.001566
  C      -4.562102     -0.308112      1.906268
  Cl     -4.865773      0.316681      0.320144
  C      -4.573915      0.528950      3.059201
  C      -4.920046      1.958561      3.054613
  O      -5.475953      2.571697      2.147096
  C      -4.510404      2.857879      4.237697
  O      -3.488440      2.742572      4.882823
  C      -4.327205     -0.093350      4.282190
  C      -4.105626     -1.477228      4.424568
  C      -4.064320     -1.981135      5.745572
  O      -4.119966     -3.233020      6.049722
  C      -6.825447     -4.433773      3.844068
  C      -6.962284     -3.356148      4.771331
  C      -7.732549     -2.243867      4.520030
  Cl     -7.759339     -1.010134      5.743501
  C      -8.454139     -2.101773      3.297344
  C      -9.250666     -0.934223      2.920351
  O      -9.672956     -0.053061      3.674241
  C      -9.546451     -0.658466      1.436688
  O      -8.798150     -0.909528      0.513111
  C      -8.388934     -3.193592      2.425499
  C      -7.626879     -4.347103      2.646003
  C      -7.598182     -5.305986      1.533758
  O      -8.384815     -5.307763      0.590224
  C      -2.014462     -5.613731      7.020484
  C      -0.660186     -5.727704      7.414464
  C      -0.269552     -5.541533      8.731508
  Cl      1.433245     -5.574208      9.036524
  C      -1.207643     -5.275817      9.770627
  C      -0.844438     -5.134957     11.188596
  O       0.191962     -5.554888     11.707583
  C      -1.770411     -4.365023     12.144969
  O      -2.685392     -3.627720     11.836541
  C      -2.555357     -5.228243      9.383744
  C      -2.980532     -5.389294      8.061104
  C      -4.383869     -5.571656      7.818990
  O      -4.932875     -5.686043      6.693897
  H      -4.285584     -2.230079      1.076921
  H      -5.187839      3.741318      4.331165
  H      -4.359994      0.501288      5.194410
  H      -4.047083     -1.277206      6.586679
  H      -6.448859     -3.436100      5.726716
  H     -10.470335     -0.041658      1.311894
  H      -8.934608     -3.159021      1.482552
  H      -6.769909     -6.047436      1.538967
  H       0.112280     -5.888015      6.664428
  H      -1.435288     -4.501189     13.202627
  H      -3.319228     -5.098299     10.149446
  H      -5.029457     -5.675354      8.709599
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890048690300
  N      -3.710696     -3.635218      3.308725
  C      -3.583019     -4.339856      2.024512
  C      -2.886878     -5.662568      2.252434
  N      -3.550946     -6.421789      3.350537
  C      -4.786237     -7.111383      2.848204
  C      -5.958814     -6.794307      3.772476
  N      -5.916932     -5.395170      4.166611
  Mo     -4.048649     -4.843509      4.895798
  N      -2.392330     -5.729897      5.716459
  C      -1.599759     -6.595815      4.836647
  C      -2.587389     -7.369231      3.973691
  H      -1.007528     -7.316199      5.421522
  H      -0.891962     -6.011782      4.224841
  H      -3.165610     -8.049656      4.614524
  H      -2.070978     -7.965567      3.201475
  H      -6.915422     -7.072252      3.306115
  H      -5.869836     -7.399344      4.692685
  H      -4.990943     -6.736350      1.836923
  H      -4.605648     -8.194012      2.771990
  H      -2.977319     -3.754765      1.314813
  H      -4.579001     -4.481968      1.567167
  H      -1.849435     -5.467172      2.551379
  H      -2.867521     -6.267894      1.331006
  C      -4.018308     -2.293165      3.241314
  C      -4.280758     -1.654007      2.005296
  C      -4.555940     -0.300415      1.910990
  Cl     -4.869747      0.323785      0.326704
  C      -4.555208      0.536893      3.063921
  C      -4.880402      1.970777      3.060820
  O      -5.407381      2.600124      2.146846
  C      -4.487238      2.858868      4.257290
  O      -3.465484      2.746506      4.903652
  C      -4.311418     -0.088207      4.286262
  C      -4.098896     -1.473501      4.427951
  C      -4.058415     -1.978393      5.748417
  O      -4.120327     -3.230393      6.051703
  C      -6.829521     -4.436390      3.840969
  C      -6.962070     -3.351777      4.761137
  C      -7.734030     -2.241722      4.505993
  Cl     -7.755613     -0.999177      5.720500
  C      -8.462396     -2.108942      3.286294
  C      -9.261182     -0.944870      2.904421
  O      -9.676156     -0.055048      3.652310
  C      -9.567450     -0.682055      1.420689
  O      -8.821456     -0.933897      0.495413
  C      -8.401552     -3.207067      2.422243
  C      -7.637809     -4.358743      2.646479
  C      -7.617000     -5.325218      1.540661
  O      -8.410480     -5.332940      0.602905
  C      -2.013587     -5.608643      7.019543
  C      -0.659116     -5.719990      7.413118
  C      -0.269251     -5.536742      8.730881
  Cl      1.433607     -5.565624      9.036231
  C      -1.208060     -5.276542      9.770442
  C      -0.845750     -5.138184     11.188891
  O       0.189476     -5.560085     11.708358
  C      -1.774971     -4.373425     12.146285
  O      -2.689616     -3.635854     11.837844
  C      -2.555913     -5.231303      9.383774
  C      -2.980563     -5.389716      8.060594
  C      -4.383244     -5.574631      7.817801
  O      -4.931495     -5.686651      6.692028
  H      -4.299679     -2.225087      1.081182
  H      -5.173277      3.734557      4.359340
  H      -4.337011      0.506568      5.198590
  H      -4.036509     -1.275854      6.590539
  H      -6.443796     -3.424710      5.714520
  H     -10.495709     -0.071940      1.295983
  H      -8.952647     -3.179742      1.482206
  H      -6.790485     -6.068205      1.545589
  H       0.113974     -5.875705      6.662808
  H      -1.443800     -4.514415     13.204506
  H      -3.320120     -5.105610     10.149847
  H      -5.029345     -5.682757      8.707450
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890090139734
  N      -3.717605     -3.628616      3.313301
  C      -3.598591     -4.331849      2.027266
  C      -2.897952     -5.653152      2.250025
  N      -3.553436     -6.412941      3.353239
  C      -4.789909     -7.106747      2.858706
  C      -5.955900     -6.792771      3.791604
  N      -5.921946     -5.389867      4.172190
  Mo     -4.050143     -4.835289      4.901051
  N      -2.390152     -5.721523      5.716631
  C      -1.596331     -6.580270      4.831519
  C      -2.583240     -7.357352      3.970998
  H      -0.997784     -7.298785      5.412323
  H      -0.894402     -5.991045      4.218051
  H      -3.155657     -8.042405      4.611929
  H      -2.066934     -7.948514      3.194788
  H      -6.915034     -7.084217      3.339194
  H      -5.850199     -7.387540      4.716537
  H      -5.002050     -6.731198      1.849209
  H      -4.605835     -8.188667      2.781117
  H      -2.999246     -3.744039      1.314554
  H      -4.597258     -4.476553      1.576764
  H      -1.858727     -5.456707      2.541735
  H      -2.885007     -6.259612      1.329340
  C      -4.020398     -2.285344      3.248196
  C      -4.293562     -1.645607      2.015122
  C      -4.556276     -0.289432      1.922275
  Cl     -4.897471      0.331774      0.342736
  C      -4.531757      0.549202      3.074415
  C      -4.823352      1.988977      3.072796
  O      -5.289264      2.645361      2.144069
  C      -4.462945      2.862014      4.289264
  O      -3.441516      2.762054      4.938855
  C      -4.286905     -0.078918      4.295364
  C      -4.086099     -1.465882      4.436190
  C      -4.042537     -1.971964      5.755666
  O      -4.115472     -3.224076      6.057181
  C      -6.833854     -4.435998      3.835151
  C      -6.956714     -3.336287      4.739449
  C      -7.730248     -2.230021      4.474859
  Cl     -7.740206     -0.968827      5.669953
  C      -8.471647     -2.115983      3.261133
  C      -9.271898     -0.957833      2.866689
  O      -9.672349     -0.048767      3.599408
  C      -9.606330     -0.728738      1.383698
  O      -8.869648     -0.986890      0.452737
  C      -8.419286     -3.227008      2.413264
  C      -7.652707     -4.374937      2.646077
  C      -7.639379     -5.352516      1.549837
  O      -8.444613     -5.374318      0.622529
  C      -2.011056     -5.605307      7.019837
  C      -0.656342     -5.714332      7.412674
  C      -0.267645     -5.536631      8.731522
  Cl      1.435295     -5.560524      9.037713
  C      -1.207141     -5.284880      9.772112
  C      -0.845847     -5.152909     11.191554
  O       0.189051     -5.576256     11.709897
  C      -1.775227     -4.389168     12.149743
  O      -2.685305     -3.646687     11.840347
  C      -2.555220     -5.241775      9.386017
  C      -2.979188     -5.394618      8.061822
  C      -4.380825     -5.582120      7.817734
  O      -4.928575     -5.686202      6.690799
  H      -4.333619     -2.218727      1.092895
  H      -5.167204      3.721713      4.401133
  H      -4.298273      0.516966      5.207103
  H      -4.009591     -1.272641      6.600026
  H      -6.429918     -3.395071      5.689216
  H     -10.542931     -0.131217      1.261420
  H      -8.978743     -3.212771      1.477851
  H      -6.807928     -6.089373      1.550819
  H       0.117493     -5.863193      6.661848
  H      -1.450030     -4.536963     13.208806
  H      -3.319664     -5.122664     10.152789
  H      -5.027778     -5.699998      8.705403
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890108324385
  N      -3.711741     -3.625759      3.313293
  C      -3.594287     -4.329685      2.027580
  C      -2.894116     -5.651201      2.250620
  N      -3.550783     -6.410297      3.353578
  C      -4.788611     -7.101283      2.858839
  C      -5.953195     -6.785838      3.792875
  N      -5.919219     -5.382421      4.171474
  Mo     -4.044929     -4.831436      4.902011
  N      -2.387771     -5.723710      5.717796
  C      -1.594862     -6.582617      4.832373
  C      -2.582692     -7.357227      3.970689
  H      -0.997065     -7.302234      5.412575
  H      -0.892265     -5.993824      4.219210
  H      -3.156618     -8.042072      4.610479
  H      -2.067019     -7.948446      3.194108
  H      -6.912948     -7.078627      3.342288
  H      -5.845618     -7.379066      4.718551
  H      -5.000793     -6.724083      1.850005
  H      -4.606886     -8.183498      2.779663
  H      -2.995975     -3.742265      1.313685
  H      -4.593485     -4.474670      1.578338
  H      -1.854946     -5.455332      2.543005
  H      -2.881113     -6.257711      1.329966
  C      -4.014038     -2.282631      3.247798
  C      -4.291440     -1.643998      2.015070
  C      -4.553669     -0.287893      1.921680
  Cl     -4.906122      0.330875      0.343782
  C      -4.523642      0.552180      3.072938
  C      -4.810984      1.992425      3.070141
  O      -5.264116      2.652581      2.137528
  C      -4.475701      2.862770      4.295178
  O      -3.459247      2.773257      4.954257
  C      -4.275494     -0.074994      4.293774
  C      -4.074972     -1.461847      4.435172
  C      -4.028999     -1.967568      5.754722
  O      -4.105879     -3.219629      6.056124
  C      -6.830967     -4.429482      3.833028
  C      -6.949209     -3.323975      4.731058
  C      -7.725572     -2.220274      4.464394
  Cl     -7.729750     -0.951675      5.651651
  C      -8.475714     -2.114758      3.255189
  C      -9.280277     -0.960102      2.859334
  O      -9.666420     -0.040759      3.586925
  C      -9.626964     -0.740629      1.377601
  O      -8.896072     -1.000180      0.442425
  C      -8.428372     -3.231746      2.414587
  C      -7.658443     -4.376906      2.649677
  C      -7.652569     -5.362659      1.560575
  O      -8.465496     -5.393190      0.640363
  C      -2.009400     -5.608069      7.021083
  C      -0.655156     -5.719659      7.415177
  C      -0.267376     -5.542654      8.734285
  Cl      1.435209     -5.569027      9.042302
  C      -1.207411     -5.289693      9.774219
  C      -0.847280     -5.159351     11.194250
  O       0.184777     -5.587497     11.714084
  C      -1.778287     -4.397256     12.152259
  O      -2.686660     -3.652975     11.842221
  C      -2.555031     -5.244314      9.387118
  C      -2.978047     -5.395853      8.062415
  C      -4.379633     -5.580970      7.816616
  O      -4.926653     -5.681083      6.688823
  H      -4.336513     -2.218527      1.093874
  H      -5.193197      3.711759      4.405065
  H      -4.282942      0.522174      5.204728
  H      -3.991690     -1.268753      6.599285
  H      -6.417409     -3.376539      5.678409
  H     -10.566067     -0.146184      1.259424
  H      -8.995545     -3.224749      1.483850
  H      -6.817618     -6.095824      1.558986
  H       0.119053     -5.869890      6.664983
  H      -1.458469     -4.551123     13.212120
  H      -3.319915     -5.124027     10.153299
  H      -5.027657     -5.700777      8.703215
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890121872232
  N      -3.704890     -3.624672      3.312307
  C      -3.587752     -4.329966      2.027408
  C      -2.888719     -5.651869      2.251722
  N      -3.547939     -6.410335      3.353372
  C      -4.786576     -7.098282      2.857259
  C      -5.951267     -6.780626      3.790572
  N      -5.915848     -5.377187      4.168905
  Mo     -4.040177     -4.830058      4.901763
  N      -2.386285     -5.726966      5.719033
  C      -1.594343     -6.587639      4.834588
  C      -2.583076     -7.359627      3.971563
  H      -0.998147     -7.308317      5.415042
  H      -0.890236     -6.000152      4.221840
  H      -3.159595     -8.042837      4.610840
  H      -2.067854     -7.952716      3.196101
  H      -6.910961     -7.072821      3.339341
  H      -5.844995     -7.373787      4.716475
  H      -4.997675     -6.720282      1.848487
  H      -4.607728     -8.180935      2.777356
  H      -2.989682     -3.743907      1.312196
  H      -4.587320     -4.474771      1.578835
  H      -1.850004     -5.456315      2.546079
  H      -2.874033     -6.257950      1.330778
  C      -4.007081     -2.281850      3.246112
  C      -4.285469     -1.643912      2.013105
  C      -4.549651     -0.288361      1.919172
  Cl     -4.905285      0.329325      0.341613
  C      -4.520164      0.552529      3.070090
  C      -4.812184      1.991826      3.066371
  O      -5.258523      2.651144      2.129832
  C      -4.487698      2.863199      4.293324
  O      -3.473204      2.780081      4.956358
  C      -4.269337     -0.073469      4.290954
  C      -4.066948     -1.459930      4.432682
  C      -4.020069     -1.965316      5.752504
  O      -4.098667     -3.217287      6.054108
  C      -6.827229     -4.423969      3.830809
  C      -6.943834     -3.317245      4.727562
  C      -7.722384     -2.214801      4.462204
  Cl     -7.723577     -0.944979      5.648202
  C      -8.477097     -2.111573      3.255512
  C      -9.285290     -0.958693      2.861773
  O      -9.669174     -0.038613      3.589554
  C      -9.647977     -0.746200      1.382786
  O      -8.925520     -1.005175      0.440901
  C      -8.431221     -3.229805      2.416333
  C      -7.658481     -4.373317      2.650080
  C      -7.654977     -5.360243      1.561837
  O      -8.471763     -5.393870      0.645217
  C      -2.009196     -5.611259      7.022587
  C      -0.655507     -5.725827      7.418318
  C      -0.268494     -5.548684      8.737508
  Cl      1.433634     -5.578324      9.047325
  C      -1.209140     -5.293113      9.776531
  C      -0.849982     -5.164014     11.197029
  O       0.181368     -5.593337     11.717205
  C      -1.780563     -4.400864     12.154684
  O      -2.687175     -3.654503     11.844392
  C      -2.556113     -5.244707      9.388033
  C      -2.978162     -5.395890      8.062962
  C      -4.379992     -5.577926      7.815715
  O      -4.926430     -5.676369      6.687428
  H      -4.330165     -2.218961      1.092182
  H      -5.210521      3.708148      4.399648
  H      -4.275949      0.524387      5.201472
  H      -3.981360     -1.266023      6.596595
  H      -6.409756     -3.368084      5.673736
  H     -10.592457     -0.158764      1.272197
  H      -9.001913     -3.224754      1.487759
  H      -6.817511     -6.090656      1.557181
  H       0.118969     -5.878564      6.668866
  H      -1.461404     -4.555628     13.214636
  H      -3.321527     -5.121885     10.153314
  H      -5.028727     -5.696844      8.701905
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890129835554
  N      -3.699096     -3.622393      3.313005
  C      -3.585585     -4.329879      2.029110
  C      -2.887545     -5.652268      2.253733
  N      -3.548033     -6.410277      3.354553
  C      -4.788643     -7.094400      2.859205
  C      -5.951839     -6.773575      3.793507
  N      -5.913802     -5.369675      4.169203
  Mo     -4.035380     -4.828034      4.903891
  N      -2.384948     -5.730814      5.721015
  C      -1.595394     -6.593659      4.836621
  C      -2.586367     -7.362226      3.973025
  H      -1.000359     -7.315721      5.416412
  H      -0.890239     -6.007584      4.223665
  H      -3.165413     -8.043105      4.612638
  H      -2.072744     -7.958129      3.198647
  H      -6.912015     -7.065748      3.343368
  H      -5.845716     -7.365583      4.720265
  H      -5.000489     -6.715736      1.850755
  H      -4.613807     -8.177649      2.778387
  H      -2.989595     -3.746013      1.310374
  H      -4.586867     -4.474420      1.584019
  H      -1.849004     -5.456773      2.548936
  H      -2.871792     -6.257478      1.332172
  C      -4.000504     -2.279906      3.246559
  C      -4.280662     -1.642340      2.013545
  C      -4.546092     -0.287223      1.919324
  Cl     -4.904328      0.329280      0.341893
  C      -4.516110      0.554528      3.070115
  C      -4.813168      1.992878      3.066506
  O      -5.250824      2.652530      2.126048
  C      -4.507921      2.863243      4.298725
  O      -3.497161      2.789628      4.968713
  C      -4.262022     -0.070746      4.290702
  C      -4.057792     -1.456784      4.432246
  C      -4.008550     -1.961982      5.752262
  O      -4.089252     -3.213849      6.054004
  C      -6.823492     -4.416464      3.828138
  C      -6.936486     -3.304475      4.718782
  C      -7.716273     -2.203637      4.450799
  Cl     -7.711405     -0.927833      5.630509
  C      -8.477381     -2.107354      3.247249
  C      -9.290665     -0.958453      2.852851
  O      -9.665920     -0.031683      3.576612
  C      -9.674491     -0.759907      1.377264
  O      -8.962951     -1.020378      0.427501
  C      -8.432111     -3.229151      2.412693
  C      -7.656321     -4.370114      2.648509
  C      -7.650260     -5.358796      1.561592
  O      -8.469351     -5.398765      0.647360
  C      -2.008406     -5.615820      7.024688
  C      -0.655072     -5.734820      7.421086
  C      -0.267505     -5.558426      8.740050
  Cl      1.434356     -5.592779      9.050049
  C      -1.207794     -5.299687      9.779035
  C      -0.848415     -5.173432     11.199809
  O       0.183420     -5.603240     11.718553
  C      -1.776194     -4.408298     12.158726
  O      -2.679925     -3.657776     11.850010
  C      -2.554257     -5.246447      9.390016
  C      -2.976542     -5.396321      8.064873
  C      -4.379155     -5.573190      7.817387
  O      -4.926398     -5.669215      6.689215
  H      -4.325229     -2.217689      1.092778
  H      -5.241090      3.699581      4.402267
  H      -4.266010      0.527697      5.200803
  H      -3.967023     -1.261973      6.595612
  H      -6.399116     -3.349636      5.663400
  H     -10.623742     -0.178513      1.275539
  H      -9.004745     -3.228168      1.485285
  H      -6.807748     -6.083663      1.555446
  H       0.118807     -5.890542      6.671598
  H      -1.454802     -4.563306     13.217975
  H      -3.319543     -5.120324     10.154884
  H      -5.027688     -5.690090      8.703973
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890135210321
  N      -3.696854     -3.621435      3.311912
  C      -3.583156     -4.329378      2.028294
  C      -2.885380     -5.651816      2.253574
  N      -3.546378     -6.409730      3.354017
  C      -4.787038     -7.093316      2.858407
  C      -5.950502     -6.771729      3.792179
  N      -5.912275     -5.367630      4.167350
  Mo     -4.033578     -4.827037      4.903143
  N      -2.384442     -5.730601      5.721098
  C      -1.594544     -6.593621      4.837105
  C      -2.585233     -7.361838      3.972911
  H      -1.000144     -7.315944      5.417206
  H      -0.888830     -6.007573      4.224784
  H      -3.164768     -8.042479      4.612340
  H      -2.071401     -7.957969      3.198867
  H      -6.910675     -7.063841      3.342016
  H      -5.844634     -7.363409      4.719162
  H      -4.998301     -6.714884      1.849774
  H      -4.612717     -8.176676      2.777942
  H      -2.986754     -3.745927      1.309579
  H      -4.584340     -4.473806      1.582963
  H      -1.847026     -5.456162      2.549376
  H      -2.868937     -6.257048      1.332036
  C      -3.996900     -2.278781      3.245366
  C      -4.276374     -1.640995      2.012310
  C      -4.540185     -0.285545      1.917967
  Cl     -4.897908      0.330640      0.340250
  C      -4.509582      0.556279      3.068728
  C      -4.805280      1.994910      3.065170
  O      -5.237578      2.656037      2.123252
  C      -4.502073      2.864701      4.298215
  O      -3.491281      2.792190      4.968350
  C      -4.256629     -0.069431      4.289394
  C      -4.053667     -1.455614      4.431002
  C      -4.005193     -1.960841      5.751035
  O      -4.087049     -3.212664      6.052732
  C      -6.823076     -4.415340      3.826886
  C      -6.935518     -3.302721      4.716797
  C      -7.717766     -2.203345      4.449962
  Cl     -7.711396     -0.926652      5.628737
  C      -8.482557     -2.109489      3.248499
  C      -9.299824     -0.962934      2.856117
  O      -9.673083     -0.035474      3.580123
  C      -9.692410     -0.767353      1.382503
  O      -8.984554     -1.024619      0.429110
  C      -8.437053     -3.231690      2.414521
  C      -7.658282     -4.370877      2.648901
  C      -7.652080     -5.359528      1.561997
  O      -8.473372     -5.401967      0.649867
  C      -2.008754     -5.615908      7.025137
  C      -0.655756     -5.735684      7.422303
  C      -0.268726     -5.559691      8.741527
  Cl      1.432910     -5.595459      9.052291
  C      -1.209483     -5.300362      9.779908
  C      -0.850910     -5.173963     11.200786
  O       0.179846     -5.605140     11.720580
  C      -1.780085     -4.410671     12.159812
  O      -2.684087     -3.660407     11.851316
  C      -2.555674     -5.246196      9.390042
  C      -2.977342     -5.395707      8.064698
  C      -4.380046     -5.570874      7.816413
  O      -4.926622     -5.666680      6.687906
  H      -4.321508     -2.216336      1.091581
  H      -5.235589      3.700717      4.401428
  H      -4.260046      0.528917      5.199493
  H      -3.963509     -1.260648      6.594208
  H      -6.395635     -3.345934      5.660069
  H     -10.644995     -0.190656      1.285468
  H      -9.011670     -3.232263      1.488364
  H      -6.807286     -6.081661      1.553455
  H       0.118390     -5.891841      6.673203
  H      -1.460207     -4.567672     13.219202
  H      -3.321358     -5.119478     10.154399
  H      -5.029262     -5.686419      8.702651
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890142251563
  N      -3.690431     -3.619428      3.308583
  C      -3.575734     -4.328283      2.025605
  C      -2.879028     -5.651059      2.252723
  N      -3.541776     -6.408688      3.352035
  C      -4.782473     -7.090955      2.855262
  C      -5.947123     -6.767129      3.786843
  N      -5.907834     -5.362594      4.161015
  Mo     -4.029063     -4.825028      4.900387
  N      -2.383826     -5.730707      5.721228
  C      -1.592612     -6.594161      4.838568
  C      -2.582107     -7.361316      3.972197
  H      -1.000604     -7.317465      5.419898
  H      -0.884782     -6.008319      4.228566
  H      -3.163071     -8.041694      4.610602
  H      -2.067369     -7.957540      3.198861
  H      -6.907154     -7.058206      3.335762
  H      -5.843066     -7.358357      4.714308
  H      -4.991411     -6.713406      1.845870
  H      -4.609319     -8.174614      2.776278
  H      -2.977379     -3.745828      1.307710
  H      -4.576295     -4.472002      1.578720
  H      -1.841166     -5.455362      2.550327
  H      -2.860853     -6.256497      1.331333
  C      -3.986781     -2.276263      3.241665
  C      -4.262991     -1.637746      2.008257
  C      -4.521925     -0.281284      1.913548
  Cl     -4.875721      0.334874      0.334768
  C      -4.490512      0.560452      3.064242
  C      -4.781079      2.000055      3.060484
  O      -5.206929      2.663728      2.117415
  C      -4.484250      2.867727      4.296426
  O      -3.476138      2.794662      4.970637
  C      -4.242277     -0.066482      4.285364
  C      -4.043257     -1.453172      4.427336
  C      -3.997956     -1.958509      5.747378
  O      -4.082454     -3.210216      6.048823
  C      -6.822003     -4.412592      3.823405
  C      -6.933660     -3.299602      4.712852
  C      -7.723084     -2.204269      4.450364
  Cl     -7.713562     -0.926533      5.628051
  C      -8.497445     -2.115842      3.254528
  C      -9.325595     -0.975483      2.868555
  O      -9.696459     -0.048370      3.594526
  C      -9.740359     -0.786187      1.400417
  O      -9.041677     -1.033838      0.437725
  C      -8.450439     -3.237856      2.420419
  C      -7.663079     -4.372074      2.649527
  C      -7.654703     -5.358758      1.561036
  O      -8.481478     -5.407621      0.654224
  C      -2.010629     -5.616754      7.026330
  C      -0.658704     -5.738678      7.425887
  C      -0.273588     -5.563716      8.745983
  Cl      1.427333     -5.603700      9.059457
  C      -1.215790     -5.302636      9.782406
  C      -0.859584     -5.175580     11.203572
  O       0.170523     -5.606248     11.725274
  C      -1.789266     -4.411188     12.161217
  O      -2.692444     -3.660390     11.851718
  C      -2.561203     -5.245873      9.389863
  C      -2.980812     -5.394622      8.063867
  C      -4.383702     -5.565029      7.813101
  O      -4.928131     -5.660563      6.683563
  H      -4.308814     -2.212962      1.087511
  H      -5.218566      3.703030      4.398896
  H      -4.245347      0.531613      5.195563
  H      -3.956923     -1.258016      6.590312
  H      -6.387201     -3.338571      5.652494
  H     -10.702028     -0.222805      1.315819
  H      -9.030055     -3.241559      1.497414
  H      -6.802810     -6.072308      1.545209
  H       0.116438     -5.896104      6.678140
  H      -1.471045     -4.568631     13.220995
  H      -3.328150     -5.117544     10.152646
  H      -5.035190     -5.676296      8.698174
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890152190557
  N      -3.682996     -3.615328      3.305218
  C      -3.568821     -4.325030      2.022749
  C      -2.873103     -5.648305      2.250987
  N      -3.536860     -6.405830      3.349525
  C      -4.777784     -7.087315      2.852408
  C      -5.943284     -6.760672      3.781791
  N      -5.902512     -5.355274      4.153161
  Mo     -4.023973     -4.821375      4.897294
  N      -2.383113     -5.729120      5.721195
  C      -1.590220     -6.592542      4.839593
  C      -2.578191     -7.358705      3.970731
  H      -1.000688     -7.317015      5.422019
  H      -0.880240     -6.006554      4.232347
  H      -3.160233     -8.039363      4.607842
  H      -2.062286     -7.954456      3.197807
  H      -6.903232     -7.050997      3.330138
  H      -5.841055     -7.350579      4.710355
  H      -4.984666     -6.711496      1.841939
  H      -4.605645     -8.171315      2.775898
  H      -2.968807     -3.743737      1.305262
  H      -4.569171     -4.467730      1.575102
  H      -1.835494     -5.452708      2.549638
  H      -2.853938     -6.253926      1.329691
  C      -3.973994     -2.271334      3.238235
  C      -4.244292     -1.631081      2.004404
  C      -4.494754     -0.272960      1.909597
  Cl     -4.840174      0.345297      0.329543
  C      -4.462051      0.568072      3.060508
  C      -4.742092      2.009541      3.056219
  O      -5.154638      2.677893      2.110484
  C      -4.448103      2.874164      4.294771
  O      -3.443012      2.796285      4.973060
  C      -4.221976     -0.061001      4.282236
  C      -4.030058     -1.448704      4.424361
  C      -3.989780     -1.954676      5.744213
  O      -4.077777     -3.206259      6.044843
  C      -6.821308     -4.408930      3.818523
  C      -6.931810     -3.293654      4.705098
  C      -7.732654     -2.205487      4.447332
  Cl     -7.719064     -0.923597      5.620452
  C      -8.522182     -2.128225      3.260547
  C      -9.368320     -0.998998      2.882777
  O      -9.734717     -0.070332      3.609420
  C      -9.812305     -0.820731      1.422161
  O      -9.125025     -1.055201      0.447978
  C      -8.471404     -3.250740      2.427296
  C      -7.670103     -4.376232      2.650086
  C      -7.655312     -5.360591      1.559780
  O      -8.488749     -5.421298      0.659856
  C      -2.012741     -5.616871      7.027585
  C      -0.662149     -5.741616      7.429936
  C      -0.279401     -5.568524      8.751181
  Cl      1.420686     -5.613431      9.067809
  C      -1.223358     -5.305799      9.785363
  C      -0.870330     -5.178439     11.207038
  O       0.158354     -5.609432     11.731476
  C      -1.802388     -4.415382     12.163466
  O      -2.704946     -3.664268     11.853127
  C      -2.567833     -5.245633      9.389619
  C      -2.984936     -5.392882      8.062720
  C      -4.388081     -5.557262      7.809078
  O      -4.930212     -5.652305      6.678424
  H      -4.290980     -2.205752      1.083359
  H      -5.179190      3.712385      4.395917
  H      -4.224572      0.536663      5.192762
  H      -3.949706     -1.254378      6.587375
  H      -6.375763     -3.324540      5.639352
  H     -10.785641     -0.275531      1.353415
  H      -9.058423     -3.260839      1.508987
  H      -6.791358     -6.059453      1.534610
  H       0.114304     -5.900088      6.683806
  H      -1.486834     -4.574699     13.223747
  H      -3.336240     -5.115552     10.150648
  H      -5.042275     -5.663188      8.692794
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890169289152
  N      -3.673935     -3.610001      3.301008
  C      -3.560453     -4.320408      2.018994
  C      -2.866089     -5.644469      2.248206
  N      -3.530902     -6.401933      3.345989
  C      -4.771932     -7.083205      2.848459
  C      -5.938838     -6.752947      3.774403
  N      -5.895759     -5.346532      4.142371
  Mo     -4.018439     -4.816908      4.892837
  N      -2.382709     -5.726432      5.720810
  C      -1.587339     -6.589510      4.840515
  C      -2.572991     -7.354791      3.968434
  H      -1.001018     -7.315431      5.424458
  H      -0.874601     -6.003269      4.236926
  H      -3.155998     -8.036436      4.603564
  H      -2.055275     -7.949224      3.195682
  H      -6.898431     -7.041662      3.321078
  H      -5.840135     -7.341475      4.704333
  H      -4.975844     -6.710245      1.836285
  H      -4.600462     -8.167576      2.775966
  H      -2.957934     -3.740467      1.302441
  H      -4.560394     -4.461510      1.570011
  H      -1.828624     -5.449432      2.547794
  H      -2.846359     -6.250449      1.327102
  C      -3.958502     -2.264914      3.233911
  C      -4.219870     -1.622288      1.999364
  C      -4.459503     -0.262140      1.904584
  Cl     -4.791784      0.359921      0.322857
  C      -4.426236      0.577663      3.055871
  C      -4.691643      2.021613      3.050534
  O      -5.092073      2.694565      2.102798
  C      -4.391847      2.883300      4.289640
  O      -3.389838      2.793728      4.971063
  C      -4.197980     -0.054049      4.278508
  C      -4.015629     -1.443141      4.420867
  C      -3.982875     -1.950013      5.740371
  O      -4.074274     -3.201465      6.039786
  C      -6.821194     -4.405066      3.812925
  C      -6.931465     -3.287853      4.696774
  C      -7.748324     -2.209953      4.446064
  Cl     -7.731213     -0.923072      5.613587
  C      -8.556972     -2.147214      3.271307
  C      -9.427218     -1.033283      2.905139
  O      -9.791483     -0.104872      3.633652
  C      -9.901888     -0.865643      1.453406
  O      -9.224981     -1.079815      0.467292
  C      -8.499404     -3.269004      2.437400
  C      -7.678889     -4.382098      2.650933
  C      -7.651979     -5.361090      1.556419
  O      -8.492379     -5.438070      0.664320
  C      -2.015723     -5.616390      7.028747
  C      -0.666872     -5.744492      7.434635
  C      -0.287370     -5.573596      8.757391
  Cl      1.411666     -5.624429      9.078181
  C      -1.233560     -5.308829      9.788652
  C      -0.884756     -5.180686     11.210992
  O       0.142097     -5.611783     11.739173
  C      -1.820116     -4.419125     12.165449
  O      -2.721798     -3.667689     11.853633
  C      -2.576895     -5.244731      9.388816
  C      -2.990676     -5.390318      8.060735
  C      -4.394047     -5.547532      7.803582
  O      -4.933424     -5.642613      6.671656
  H      -4.266694     -2.196096      1.077798
  H      -5.113189      3.730056      4.389279
  H      -4.201416      0.543013      5.189553
  H      -3.945445     -1.250349      6.584234
  H      -6.363404     -3.308530      5.623951
  H     -10.889133     -0.344033      1.402420
  H      -9.095359     -3.286886      1.524891
  H      -6.770679     -6.037873      1.518812
  H       0.111436     -5.904142      6.690738
  H      -1.507943     -4.580261     13.226455
  H      -3.347118     -5.112626     10.147679
  H      -5.051657     -5.646459      8.685575
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890194004627
  N      -3.663884     -3.604499      3.296227
  C      -3.550667     -4.315185      2.014512
  C      -2.858262     -5.640417      2.244373
  N      -3.524443     -6.397695      3.341553
  C      -4.765234     -7.079705      2.843046
  C      -5.934529     -6.745148      3.763674
  N      -5.888104     -5.337911      4.128921
  Mo     -4.013628     -4.812573      4.886776
  N      -2.382819     -5.722805      5.719862
  C      -1.584322     -6.585370      4.841192
  C      -2.566920     -7.350221      3.965513
  H      -1.001638     -7.312740      5.427101
  H      -0.868476     -5.998988      4.241643
  H      -3.150622     -8.033700      4.597942
  H      -2.046700     -7.942358      3.192616
  H      -6.893144     -7.030677      3.306326
  H      -5.842369     -7.333028      4.694859
  H      -4.964857     -6.710938      1.828393
  H      -4.593795     -8.164420      2.776406
  H      -2.944608     -3.736646      1.299681
  H      -4.549841     -4.454054      1.563265
  H      -1.820721     -5.446897      2.544679
  H      -2.838880     -6.246987      1.323602
  C      -3.942607     -2.258267      3.228617
  C      -4.192565     -1.613273      1.992902
  C      -4.421969     -0.251348      1.898093
  Cl     -4.737975      0.375611      0.314552
  C      -4.389851      0.587062      3.049757
  C      -4.639030      2.033673      3.042667
  O      -5.037125      2.708909      2.095552
  C      -4.316381      2.893861      4.277275
  O      -3.315370      2.784013      4.957013
  C      -4.175467     -0.046902      4.273621
  C      -4.003619     -1.437523      4.416568
  C      -3.980774     -1.945295      5.735629
  O      -4.074150     -3.196663      6.033698
  C      -6.822221     -4.401968      3.808599
  C      -6.934731     -3.285329      4.692318
  C      -7.771669     -2.220514      4.451862
  Cl     -7.754605     -0.930006      5.615198
  C      -8.599970     -2.172730      3.290365
  C      -9.497639     -1.076566      2.938853
  O      -9.867420     -0.154140      3.672576
  C      -9.991875     -0.911799      1.493888
  O      -9.316779     -1.097181      0.500656
  C      -8.531601     -3.290546      2.451679
  C      -7.688050     -4.388268      2.652736
  C      -7.641041     -5.356366      1.549814
  O      -8.486308     -5.452831      0.664332
  C      -2.019360     -5.615082      7.029353
  C      -0.672535     -5.746646      7.439367
  C      -0.297161     -5.577595      8.763848
  Cl      1.400700     -5.634298      9.089827
  C      -1.245925     -5.310394      9.791646
  C      -0.902207     -5.180884     11.214849
  O       0.122599     -5.611511     11.747582
  C      -1.841465     -4.420002     12.166135
  O      -2.741587     -3.667946     11.851631
  C      -2.588000     -5.242492      9.387110
  C      -2.997726     -5.386852      8.057628
  C      -4.401137     -5.537303      7.796675
  O      -4.937680     -5.633606      6.663533
  H      -4.237768     -2.186201      1.070718
  H      -5.018482      3.756746      4.376204
  H      -4.182227      0.549641      5.185220
  H      -3.948583     -1.246812      6.580775
  H      -6.354193     -3.295945      5.611751
  H     -10.992974     -0.416164      1.455839
  H      -9.136226     -3.315317      1.544848
  H      -6.737088     -6.002498      1.497664
  H       0.108229     -5.907640      6.698375
  H      -1.533200     -4.582029     13.228179
  H      -3.360247     -5.108249     10.143584
  H      -5.062482     -5.628544      8.676741
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890220183854
  N      -3.653758     -3.598442      3.291763
  C      -3.541595     -4.309714      2.010411
  C      -2.851259     -5.636187      2.240816
  N      -3.518606     -6.393012      3.337664
  C      -4.759503     -7.075370      2.838823
  C      -5.930636     -6.736004      3.754770
  N      -5.880898     -5.327689      4.116313
  Mo     -4.008460     -4.807340      4.881316
  N      -2.382595     -5.718943      5.719013
  C      -1.581493     -6.581122      4.841704
  C      -2.561628     -7.345409      3.962956
  H      -1.001907     -7.309815      5.429129
  H      -0.863054     -5.994563      4.245619
  H      -3.146061     -8.030229      4.593188
  H      -2.039390     -7.935852      3.190071
  H      -6.888487     -7.019129      3.294355
  H      -5.844074     -7.322438      4.687564
  H      -4.955452     -6.710800      1.821866
  H      -4.588713     -8.160491      2.777838
  H      -2.932710     -3.732820      1.296551
  H      -4.540429     -4.446439      1.557874
  H      -1.813541     -5.444196      2.541519
  H      -2.832462     -6.243254      1.320316
  C      -3.926236     -2.251076      3.223785
  C      -4.166406     -1.603864      1.987241
  C      -4.385398     -0.240216      1.892484
  Cl     -4.688284      0.390800      0.307641
  C      -4.352535      0.597080      3.044446
  C      -4.585219      2.046184      3.036123
  O      -4.975811      2.725273      2.088594
  C      -4.247367      2.903335      4.268845
  O      -3.248166      2.777395      4.948374
  C      -4.150556     -0.039063      4.269213
  C      -3.989292     -1.431089      4.412559
  C      -3.975375     -1.939726      5.731164
  O      -4.072055     -3.190984      6.027926
  C      -6.822926     -4.397324      3.803498
  C      -6.936849     -3.279560      4.685098
  C      -7.792743     -2.227870      4.453472
  Cl     -7.775077     -0.931997      5.610685
  C      -8.640456     -2.196786      3.305605
  C      -9.564365     -1.118895      2.967545
  O      -9.937746     -0.200276      3.704586
  C     -10.082081     -0.962015      1.530422
  O      -9.412503     -1.121448      0.528893
  C      -8.562812     -3.312217      2.464304
  C      -7.697438     -4.394436      2.654343
  C      -7.632936     -5.353398      1.544823
  O      -8.483456     -5.470532      0.667008
  C      -2.022688     -5.613931      7.030046
  C      -0.677863     -5.749434      7.444090
  C      -0.306395     -5.582620      8.770219
  Cl      1.390241     -5.645546      9.101238
  C      -1.257613     -5.313076      9.794766
  C      -0.918715     -5.183270     11.218908
  O       0.103860     -5.614304     11.755718
  C      -1.861256     -4.422986     12.167588
  O      -2.758977     -3.669106     11.850877
  C      -2.598355     -5.240859      9.385689
  C      -3.004190     -5.383456      8.054806
  C      -4.407639     -5.526851      7.790008
  O      -4.941450     -5.623554      6.655596
  H      -4.211460     -2.176062      1.064591
  H      -4.934707      3.778082      4.367397
  H      -4.158834      0.557106      5.181253
  H      -3.946829     -1.242291      6.577382
  H      -6.343975     -3.278662      5.596559
  H     -11.096499     -0.493338      1.506606
  H      -9.176431     -3.345345      1.563642
  H      -6.708220     -5.968971      1.478589
  H       0.105179     -5.911839      6.705840
  H      -1.557313     -4.587227     13.230568
  H      -3.372549     -5.104449     10.139822
  H      -5.072504     -5.611016      8.668149
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.889969331192
  N      -3.636745     -3.585139      3.297633
  C      -3.540198     -4.295706      2.014344
  C      -2.860541     -5.629586      2.233520
  N      -3.524037     -6.379396      3.340918
  C      -4.768127     -7.070296      2.851490
  C      -5.939263     -6.709348      3.757081
  N      -5.876290     -5.296917      4.102695
  Mo     -4.008972     -4.791778      4.877066
  N      -2.375462     -5.699144      5.716379
  C      -1.577541     -6.559499      4.833953
  C      -2.561541     -7.329945      3.964115
  H      -0.987140     -7.283918      5.415670
  H      -0.869218     -5.971543      4.227015
  H      -3.139980     -8.017408      4.596803
  H      -2.040873     -7.918747      3.188517
  H      -6.894326     -6.989811      3.287671
  H      -5.871584     -7.286756      4.697784
  H      -4.962181     -6.727320      1.826251
  H      -4.599893     -8.156695      2.814509
  H      -2.935193     -3.724063      1.292840
  H      -4.545390     -4.424849      1.574201
  H      -1.816209     -5.452809      2.519843
  H      -2.864478     -6.236988      1.313280
  C      -3.908375     -2.235667      3.227756
  C      -4.151013     -1.588642      1.991047
  C      -4.373252     -0.226780      1.896003
  Cl     -4.706293      0.408310      0.319501
  C      -4.318525      0.613866      3.046297
  C      -4.516925      2.068038      3.035072
  O      -4.923193      2.754242      2.099275
  C      -4.107881      2.916845      4.253230
  O      -3.090271      2.758389      4.896997
  C      -4.112123     -0.019081      4.270878
  C      -3.968392     -1.413069      4.416423
  C      -3.967643     -1.923381      5.734260
  O      -4.075475     -3.175189      6.028511
  C      -6.833373     -4.375863      3.809050
  C      -6.958446     -3.250487      4.676754
  C      -7.858120     -2.234974      4.447142
  Cl     -7.867647     -0.914883      5.576069
  C      -8.727980     -2.246287      3.317494
  C      -9.694615     -1.203443      2.977460
  O     -10.131938     -0.315926      3.715571
  C     -10.150840     -1.037174      1.519921
  O      -9.408709     -1.140999      0.562439
  C      -8.624033     -3.361382      2.476628
  C      -7.716140     -4.406663      2.667542
  C      -7.578303     -5.346521      1.549098
  O      -8.421419     -5.544183      0.679315
  C      -2.016259     -5.608232      7.027163
  C      -0.673750     -5.755767      7.446378
  C      -0.308810     -5.595259      8.774193
  Cl      1.386498     -5.662870      9.115743
  C      -1.262342     -5.326004      9.797625
  C      -0.929474     -5.217044     11.227579
  O       0.086184     -5.661723     11.763733
  C      -1.867257     -4.446298     12.174775
  O      -2.733523     -3.658219     11.853631
  C      -2.601087     -5.244794      9.384777
  C      -3.001131     -5.378770      8.050115
  C      -4.403483     -5.524185      7.781408
  O      -4.939951     -5.618547      6.646693
  H      -4.206739     -2.163645      1.070288
  H      -4.766455      3.812214      4.370007
  H      -4.113243      0.581119      5.181679
  H      -3.939352     -1.233230      6.586768
  H      -6.350322     -3.218099      5.577424
  H     -11.181704     -0.612439      1.441860
  H      -9.248119     -3.417382      1.583758
  H      -6.586944     -5.851659      1.471275
  H       0.114346     -5.918965      6.713169
  H      -1.581608     -4.631443     13.239987
  H      -3.376295     -5.109060     10.138178
  H      -5.069057     -5.616102      8.658542
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890273215303
  N      -3.638444     -3.593538      3.288322
  C      -3.528560     -4.305788      2.007370
  C      -2.843822     -5.635357      2.237165
  N      -3.513508     -6.389286      3.335434
  C      -4.754936     -7.072854      2.836762
  C      -5.929327     -6.722806      3.743980
  N      -5.872489     -5.313337      4.101311
  Mo     -4.003223     -4.801704      4.874585
  N      -2.379830     -5.714218      5.717998
  C      -1.577921     -6.577098      4.841831
  C      -2.557417     -7.341902      3.962709
  H      -0.998493     -7.305536      5.429661
  H      -0.859447     -5.991046      4.245307
  H      -3.142510     -8.026898      4.592066
  H      -2.034099     -7.932363      3.190479
  H      -6.885057     -7.001324      3.275951
  H      -5.855403     -7.307373      4.679285
  H      -4.945517     -6.717557      1.815398
  H      -4.586663     -8.158845      2.786792
  H      -2.917586     -3.732012      1.292695
  H      -4.528210     -4.438875      1.555641
  H      -1.804720     -5.448825      2.536416
  H      -2.829750     -6.242821      1.316910
  C      -3.908718     -2.245418      3.218526
  C      -4.143456     -1.598191      1.980744
  C      -4.360302     -0.234612      1.884816
  Cl     -4.661677      0.398577      0.300570
  C      -4.325292      0.603695      3.036134
  C      -4.547038      2.054618      3.025088
  O      -4.945840      2.733119      2.080662
  C      -4.182442      2.911363      4.251010
  O      -3.180902      2.769030      4.923491
  C      -4.128359     -0.031471      4.261893
  C      -3.974425     -1.424321      4.406835
  C      -3.969217     -1.933055      5.725338
  O      -4.070150     -3.184310      6.021252
  C      -6.823395     -4.387447      3.801929
  C      -6.941725     -3.271387      4.683837
  C      -7.820281     -2.236017      4.462495
  Cl     -7.809469     -0.935751      5.614761
  C      -8.684741     -2.220903      3.327511
  C      -9.635367     -1.161523      3.002632
  O     -10.030852     -0.259915      3.748646
  C     -10.150871     -1.000157      1.565083
  O      -9.466623     -1.126027      0.568509
  C      -8.594741     -3.331145      2.479853
  C      -7.705077     -4.394806      2.658811
  C      -7.610475     -5.338340      1.538701
  O      -8.463061     -5.487743      0.668176
  C      -2.023854     -5.613397      7.030155
  C      -0.681276     -5.754792      7.449657
  C      -0.315040     -5.589550      8.777282
  Cl      1.380084     -5.657787      9.115936
  C      -1.269295     -5.316937      9.798326
  C      -0.936175     -5.191306     11.224706
  O       0.082515     -5.626148     11.765174
  C      -1.879911     -4.427089     12.169608
  O      -2.767189     -3.662841     11.848519
  C      -2.608105     -5.239391      9.384093
  C      -3.008824     -5.379968      8.051203
  C      -4.411704     -5.519534      7.781612
  O      -4.943288     -5.616466      6.645876
  H      -4.187551     -2.171169      1.058442
  H      -4.854014      3.798371      4.350883
  H      -4.137428      0.565952      5.173402
  H      -3.943952     -1.237245      6.573080
  H      -6.337748     -3.259249      5.587798
  H     -11.177762     -0.559873      1.537982
  H      -9.216254     -3.371368      1.584775
  H      -6.653997     -5.903214      1.457274
  H       0.104986     -5.919625      6.715298
  H      -1.584747     -4.597375     13.234231
  H      -3.384476     -5.100407     10.135571
  H      -5.079543     -5.601055      8.657808
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890324725683
  N      -3.629993     -3.589038      3.283430
  C      -3.519735     -4.302304      2.003129
  C      -2.837012     -5.632694      2.234777
  N      -3.508728     -6.385986      3.331992
  C      -4.750214     -7.068569      2.832359
  C      -5.926098     -6.715013      3.736175
  N      -5.867302     -5.304839      4.091188
  Mo     -3.998780     -4.797148      4.869603
  N      -2.379758     -5.710995      5.717099
  C      -1.576165     -6.574436      4.842597
  C      -2.554049     -7.338657      3.961235
  H      -0.999369     -7.303807      5.431886
  H      -0.855449     -5.988581      4.248700
  H      -3.140566     -8.023291      4.589654
  H      -2.029488     -7.929360      3.190035
  H      -6.881348     -6.992100      3.266417
  H      -5.855482     -7.298493      4.672471
  H      -4.937887     -6.715842      1.809528
  H      -4.583299     -8.154908      2.785817
  H      -2.906059     -3.730109      1.289483
  H      -4.518821     -4.433823      1.549739
  H      -1.798249     -5.446793      2.535684
  H      -2.821682     -6.240474      1.314716
  C      -3.893152     -2.239805      3.213389
  C      -4.118733     -1.590570      1.974969
  C      -4.324341     -0.225170      1.878793
  Cl     -4.611498      0.410551      0.292665
  C      -4.289423      0.612151      3.030571
  C      -4.499326      2.064698      3.019165
  O      -4.882862      2.747732      2.071646
  C      -4.138735      2.917587      4.248808
  O      -3.142072      2.768833      4.927242
  C      -4.104103     -0.025334      4.257038
  C      -3.959237     -1.419181      4.402093
  C      -3.961107     -1.928402      5.720365
  O      -4.066575     -3.179432      6.015449
  C      -6.823439     -4.383108      3.796135
  C      -6.942533     -3.266198      4.676583
  C      -7.833795     -2.240127      4.462431
  Cl     -7.820969     -0.936439      5.610859
  C      -8.712540     -2.237521      3.338250
  C      -9.683136     -1.193048      3.026522
  O     -10.074999     -0.291782      3.775157
  C     -10.230967     -1.045337      1.599865
  O      -9.564253     -1.157235      0.589805
  C      -8.616653     -3.345983      2.488831
  C      -7.711863     -4.398108      2.658587
  C      -7.609866     -5.336313      1.534908
  O      -8.466135     -5.497952      0.670284
  C      -2.027391     -5.611908      7.030676
  C      -0.686406     -5.756034      7.453612
  C      -0.323253     -5.592771      8.782540
  Cl      1.370712     -5.665980      9.125271
  C      -1.279739     -5.318601      9.800813
  C      -0.950470     -5.192499     11.227740
  O       0.066688     -5.627230     11.771379
  C      -1.897077     -4.429579     12.170844
  O      -2.783786     -3.665359     11.848297
  C      -2.617282     -5.237691      9.382754
  C      -3.014823     -5.376778      8.048812
  C      -4.417643     -5.510484      7.775627
  O      -4.946282     -5.607361      6.638544
  H      -4.162579     -2.162756      1.052179
  H      -4.805299      3.808552      4.346148
  H      -4.113530      0.571499      5.168944
  H      -3.937130     -1.232573      6.568139
  H      -6.329565     -3.245470      5.574279
  H     -11.267139     -0.626561      1.592970
  H      -9.245224     -3.392868      1.598927
  H      -6.643647     -5.883358      1.444016
  H       0.101483     -5.921784      6.721246
  H      -1.604875     -4.601109     13.236055
  H      -3.395489     -5.097065     10.132048
  H      -5.088391     -5.586444      8.650082
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890132918970
  N      -3.616131     -3.609197      3.267611
  C      -3.481415     -4.327941      1.992200
  C      -2.806290     -5.657056      2.242703
  N      -3.495948     -6.405259      3.329589
  C      -4.733265     -7.075975      2.814002
  C      -5.919585     -6.721660      3.708513
  N      -5.863525     -5.317103      4.084780
  Mo     -3.991940     -4.807362      4.858499
  N      -2.375198     -5.723987      5.718257
  C      -1.574460     -6.597766      4.853884
  C      -2.553861     -7.360367      3.971418
  H      -0.999750     -7.324184      5.448204
  H      -0.850685     -6.017038      4.257957
  H      -3.151914     -8.030049      4.605538
  H      -2.030658     -7.967530      3.212862
  H      -6.872071     -6.991942      3.229537
  H      -5.855550     -7.315708      4.637808
  H      -4.911680     -6.720377      1.790856
  H      -4.575361     -8.163388      2.762055
  H      -2.859463     -3.757250      1.285309
  H      -4.474190     -4.461604      1.525201
  H      -1.773331     -5.467853      2.561506
  H      -2.771282     -6.264177      1.322985
  C      -3.880111     -2.261204      3.193407
  C      -4.105171     -1.618168      1.952312
  C      -4.316179     -0.253435      1.847275
  Cl     -4.582840      0.361599      0.250240
  C      -4.303175      0.589263      2.998096
  C      -4.571227      2.034695      2.986854
  O      -4.946644      2.704594      2.027376
  C      -4.320368      2.897916      4.235945
  O      -3.345090      2.810667      4.955876
  C      -4.112512     -0.045443      4.226776
  C      -3.947381     -1.435521      4.374937
  C      -3.940653     -1.938662      5.697207
  O      -4.052328     -3.189034      5.997551
  C      -6.808864     -4.381588      3.792609
  C      -6.929719     -3.290571      4.704857
  C      -7.791229     -2.236140      4.503198
  Cl     -7.764490     -0.971286      5.696273
  C      -8.644010     -2.179983      3.359485
  C      -9.591329     -1.106934      3.075246
  O      -9.961902     -0.225731      3.856411
  C     -10.195559     -0.950716      1.671161
  O      -9.600446     -1.111141      0.624315
  C      -8.560902     -3.273120      2.490241
  C      -7.686612     -4.353139      2.648954
  C      -7.640177     -5.300633      1.528339
  O      -8.499522     -5.403517      0.658235
  C      -2.033623     -5.613128      7.033020
  C      -0.692113     -5.749006      7.462065
  C      -0.331613     -5.580026      8.790394
  Cl      1.360548     -5.646465      9.139397
  C      -1.293547     -5.306996      9.804515
  C      -0.965778     -5.176008     11.229937
  O       0.052231     -5.607855     11.774843
  C      -1.912083     -4.410595     12.169814
  O      -2.803789     -3.653910     11.842475
  C      -2.628715     -5.233602      9.382254
  C      -3.022677     -5.378390      8.048744
  C      -4.422804     -5.523320      7.766572
  O      -4.939446     -5.619251      6.624453
  H      -4.133095     -2.192211      1.030540
  H      -5.038742      3.749355      4.303267
  H      -4.123318      0.550837      5.136760
  H      -3.906319     -1.231661      6.534532
  H      -6.331720     -3.307384      5.613285
  H     -11.218263     -0.502414      1.714402
  H      -9.180032     -3.291490      1.593305
  H      -6.721002     -5.922631      1.451478
  H       0.095483     -5.915249      6.729813
  H      -1.621783     -4.575541     13.235808
  H      -3.411972     -5.094870     10.126270
  H      -5.095815     -5.611153      8.637671
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890508770656
  N      -3.605462     -3.594387      3.269453
  C      -3.483397     -4.311794      1.992367
  C      -2.810505     -5.644513      2.234727
  N      -3.495448     -6.391969      3.327136
  C      -4.735281     -7.068295      2.818292
  C      -5.919625     -6.704764      3.708856
  N      -5.856441     -5.296411      4.070899
  Mo     -3.989107     -4.795691      4.855520
  N      -2.375171     -5.713925      5.716531
  C      -1.572124     -6.583869      4.849320
  C      -2.549707     -7.346881      3.965834
  H      -0.997993     -7.311977      5.442422
  H      -0.848436     -6.001887      4.254912
  H      -3.144137     -8.023607      4.595575
  H      -2.024398     -7.946385      3.202255
  H      -6.871261     -6.974728      3.227525
  H      -5.863598     -7.291768      4.643817
  H      -4.912202     -6.721826      1.791533
  H      -4.576049     -8.155991      2.778410
  H      -2.862169     -3.743585      1.282388
  H      -4.479265     -4.440653      1.531013
  H      -1.773900     -5.462086      2.545151
  H      -2.787975     -6.252744      1.315262
  C      -3.864576     -2.244708      3.195047
  C      -4.081928     -1.598538      1.953641
  C      -4.285557     -0.233144      1.851202
  Cl     -4.558965      0.393365      0.259350
  C      -4.259751      0.608062      3.001667
  C      -4.486329      2.059174      2.987025
  O      -4.865391      2.735833      2.033436
  C      -4.164294      2.918308      4.223121
  O      -3.178980      2.787539      4.921769
  C      -4.079512     -0.027193      4.230620
  C      -3.933584     -1.420071      4.379355
  C      -3.940858     -1.925774      5.699708
  O      -4.055527     -3.176231      5.996591
  C      -6.817064     -4.373222      3.792027
  C      -6.941381     -3.272633      4.691098
  C      -7.841600     -2.249775      4.497051
  Cl     -7.827858     -0.964003      5.666673
  C      -8.726035     -2.235873      3.377328
  C      -9.712293     -1.196652      3.096971
  O     -10.110342     -0.322383      3.872816
  C     -10.294675     -1.041379      1.684109
  O      -9.656995     -1.144886      0.654840
  C      -8.624813     -3.329905      2.509888
  C      -7.709734     -4.376024      2.659142
  C      -7.608566     -5.301558      1.524843
  O      -8.469548     -5.463701      0.665619
  C      -2.033352     -5.611714      7.031867
  C      -0.694605     -5.756896      7.464253
  C      -0.338905     -5.591838      8.794491
  Cl      1.352369     -5.666248      9.148938
  C      -1.301937     -5.315032      9.806383
  C      -0.980227     -5.189081     11.234700
  O       0.032904     -5.625893     11.783940
  C      -1.928751     -4.420756     12.171158
  O      -2.808169     -3.651443     11.840666
  C      -2.636058     -5.233314      9.380124
  C      -3.025800     -5.373808      8.044279
  C      -4.426302     -5.509789      7.760393
  O      -4.945117     -5.605153      6.618693
  H      -4.117303     -2.172686      1.031896
  H      -4.845174      3.799671      4.303640
  H      -4.090423      0.570887      5.140827
  H      -3.913848     -1.225612      6.543464
  H      -6.323175     -3.259775      5.585513
  H     -11.335896     -0.636082      1.706457
  H      -9.257669     -3.369078      1.622913
  H      -6.636194     -5.835505      1.422940
  H       0.096530     -5.925307      6.736110
  H      -1.647234     -4.593840     13.238673
  H      -3.419667     -5.091182     10.123337
  H      -5.102166     -5.590387      8.630273
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890622824089
  N      -3.593084     -3.588269      3.263247
  C      -3.472170     -4.306503      1.986502
  C      -2.803675     -5.641454      2.229408
  N      -3.490796     -6.386513      3.322567
  C      -4.730262     -7.064126      2.813229
  C      -5.917243     -6.694353      3.697134
  N      -5.850854     -5.284944      4.055572
  Mo     -3.986601     -4.788320      4.846693
  N      -2.374642     -5.706037      5.713964
  C      -1.569942     -6.576243      4.848452
  C      -2.545881     -7.340628      3.964270
  H      -0.996141     -7.303760      5.442607
  H      -0.845947     -5.994448      4.254293
  H      -3.141044     -8.017239      4.593398
  H      -2.018874     -7.940437      3.202035
  H      -6.866830     -6.962405      3.210535
  H      -5.869415     -7.279615      4.633879
  H      -4.902945     -6.724253      1.783441
  H      -4.572240     -8.152227      2.781241
  H      -2.848160     -3.740982      1.276782
  H      -4.468200     -4.432148      1.524525
  H      -1.766300     -5.462734      2.539275
  H      -2.783770     -6.250377      1.310356
  C      -3.844233     -2.236888      3.187863
  C      -4.050221     -1.588572      1.945454
  C      -4.242788     -0.221762      1.842518
  Cl     -4.504840      0.408540      0.250145
  C      -4.213860      0.619010      2.993137
  C      -4.421846      2.072734      2.977054
  O      -4.794188      2.753363      2.023622
  C      -4.083190      2.928343      4.211380
  O      -3.098763      2.782480      4.908115
  C      -4.046385     -0.017798      4.222924
  C      -3.914505     -1.412108      4.372353
  C      -3.934197     -1.918327      5.692325
  O      -4.056243     -3.168465      5.987689
  C      -6.821602     -4.368419      3.789851
  C      -6.950945     -3.269973      4.689957
  C      -7.873500     -2.264715      4.507795
  Cl     -7.868184     -0.977462      5.675852
  C      -8.774012     -2.267678      3.401148
  C      -9.787504     -1.250090      3.137628
  O     -10.200430     -0.391706      3.923204
  C     -10.380822     -1.095611      1.729319
  O      -9.742669     -1.170841      0.697820
  C      -8.660163     -3.355390      2.526889
  C      -7.721886     -4.381985      2.663612
  C      -7.596943     -5.292793      1.520162
  O      -8.457151     -5.480049      0.665530
  C      -2.037593     -5.606967      7.030543
  C      -0.700936     -5.755460      7.468290
  C      -0.350609     -5.592088      8.800072
  Cl      1.339106     -5.669536      9.161742
  C      -1.317223     -5.314338      9.808367
  C      -1.001622     -5.191345     11.238524
  O       0.008142     -5.630521     11.791728
  C      -1.952843     -4.421701     12.171535
  O      -2.824626     -3.645364     11.837464
  C      -2.649452     -5.229620      9.376850
  C      -3.033922     -5.368240      8.039117
  C      -4.433464     -5.502355      7.749991
  O      -4.948659     -5.597653      6.606514
  H      -4.085942     -2.162311      1.023430
  H      -4.750520      3.820110      4.292342
  H      -4.057310      0.580512      5.133214
  H      -3.909704     -1.219539      6.537353
  H      -6.321449     -3.245177      5.576154
  H     -11.432060     -0.717515      1.758544
  H      -9.300821     -3.402679      1.645866
  H      -6.603504     -5.785626      1.407201
  H       0.093215     -5.924529      6.743547
  H      -1.679672     -4.600128     13.240394
  H      -3.435724     -5.086789     10.117156
  H      -5.112706     -5.581934      8.617377
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890758528963
  N      -3.583378     -3.581521      3.256322
  C      -3.464616     -4.299640      1.979085
  C      -2.801096     -5.637233      2.221264
  N      -3.490041     -6.378560      3.316791
  C      -4.728473     -7.059268      2.807201
  C      -5.916636     -6.687987      3.687790
  N      -5.851520     -5.277379      4.042311
  Mo     -3.991087     -4.778111      4.835400
  N      -2.374827     -5.691642      5.708639
  C      -1.569852     -6.561694      4.843893
  C      -2.545525     -7.330609      3.962995
  H      -0.991323     -7.285787      5.437634
  H      -0.849726     -5.979848      4.244978
  H      -3.140625     -8.005498      4.594024
  H      -2.017594     -7.932994      3.203282
  H      -6.863895     -6.958657      3.197912
  H      -5.872671     -7.271386      4.626250
  H      -4.900179     -6.723731      1.775650
  H      -4.569920     -8.147460      2.780216
  H      -2.839143     -3.736956      1.268447
  H      -4.461720     -4.421614      1.518002
  H      -1.762215     -5.463526      2.528558
  H      -2.786226     -6.247012      1.302715
  C      -3.821728     -2.227136      3.180553
  C      -4.013071     -1.574707      1.937542
  C      -4.189384     -0.206060      1.834774
  Cl     -4.440487      0.431027      0.243473
  C      -4.152775      0.633394      2.986406
  C      -4.334860      2.090110      2.970245
  O      -4.688643      2.779239      2.015658
  C      -3.989007      2.937602      4.208202
  O      -3.007543      2.778418      4.905985
  C      -4.000650     -0.006023      4.216450
  C      -3.890275     -1.402286      4.365683
  C      -3.927211     -1.909673      5.685000
  O      -4.063163     -3.159127      5.977736
  C      -6.835067     -4.369619      3.793587
  C      -6.973542     -3.274748      4.695841
  C      -7.920545     -2.290109      4.524615
  Cl     -7.936560     -1.006875      5.696896
  C      -8.831085     -2.308439      3.426532
  C      -9.870491     -1.312023      3.176438
  O     -10.308816     -0.478052      3.973859
  C     -10.456551     -1.149590      1.765571
  O      -9.808177     -1.207072      0.739273
  C      -8.701182     -3.388369      2.544338
  C      -7.740977     -4.395104      2.672499
  C      -7.589289     -5.293338      1.522249
  O      -8.441884     -5.502014      0.665153
  C      -2.042144     -5.595759      7.025559
  C      -0.706627     -5.744309      7.468414
  C      -0.361926     -5.581571      8.801170
  Cl      1.326730     -5.653970      9.170248
  C      -1.332777     -5.306914      9.807046
  C      -1.023464     -5.191053     11.240017
  O      -0.017108     -5.633727     11.795748
  C      -1.976944     -4.419432     12.169701
  O      -2.836420     -3.631297     11.831472
  C      -2.663365     -5.223469      9.371298
  C      -3.042490     -5.360389      8.031436
  C      -4.439928     -5.502809      7.737174
  O      -4.951531     -5.596545      6.591708
  H      -4.052003     -2.147265      1.014755
  H      -4.648445      3.835513      4.290297
  H      -4.008428      0.592692      5.127034
  H      -3.902327     -1.213675      6.532416
  H      -6.335232     -3.238101      5.575359
  H     -11.512545     -0.784202      1.789887
  H      -9.347023     -3.444137      1.667634
  H      -6.578504     -5.751887      1.409844
  H       0.090727     -5.911213      6.746482
  H      -1.715196     -4.606197     13.240164
  H      -3.452493     -5.083611     10.109263
  H      -5.121264     -5.592952      8.602020
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.890875390006
  N      -3.565883     -3.579878      3.245227
  C      -3.441262     -4.299297      1.969362
  C      -2.784347     -5.639179      2.216382
  N      -3.481513     -6.377044      3.309014
  C      -4.718591     -7.055311      2.793072
  C      -5.910995     -6.680956      3.666321
  N      -5.843682     -5.270726      4.022867
  Mo     -3.987542     -4.773652      4.822173
  N      -2.376527     -5.690736      5.706080
  C      -1.569655     -6.563413      4.846360
  C      -2.542977     -7.330849      3.961395
  H      -0.994843     -7.287777      5.443308
  H      -0.845874     -5.983931      4.249484
  H      -3.143263     -8.003280      4.590150
  H      -2.012688     -7.935825      3.205437
  H      -6.855370     -6.948076      3.168799
  H      -5.876317     -7.266186      4.604152
  H      -4.884209     -6.721045      1.760164
  H      -4.562714     -8.143944      2.768399
  H      -2.809445     -3.739804      1.261897
  H      -4.436015     -4.417764      1.502354
  H      -1.746405     -5.469038      2.528730
  H      -2.766877     -6.249618      1.298355
  C      -3.796680     -2.224251      3.167269
  C      -3.973403     -1.570931      1.922328
  C      -4.141425     -0.201576      1.817452
  Cl     -4.373072      0.436791      0.223688
  C      -4.110424      0.638285      2.969259
  C      -4.287394      2.095949      2.950748
  O      -4.642370      2.783188      1.995303
  C      -3.937016      2.944143      4.187157
  O      -2.963429      2.774562      4.893252
  C      -3.971578     -0.001374      4.200666
  C      -3.870468     -1.398211      4.351188
  C      -3.920729     -1.904802      5.670425
  O      -4.063857     -3.153782      5.962026
  C      -6.836802     -4.367768      3.793381
  C      -6.983124     -3.285699      4.708678
  C      -7.949927     -2.316686      4.557682
  Cl     -7.979068     -1.049175      5.746848
  C      -8.869610     -2.337229      3.467366
  C      -9.930525     -1.356973      3.242065
  O     -10.384032     -0.551920      4.060154
  C     -10.527214     -1.178935      1.837156
  O      -9.885866     -1.210906      0.805466
  C      -8.726653     -3.401647      2.568033
  C      -7.747463     -4.391839      2.676747
  C      -7.576509     -5.266499      1.511247
  O      -8.425850     -5.486047      0.653942
  C      -2.050590     -5.592937      7.024020
  C      -0.717407     -5.743261      7.474247
  C      -0.379201     -5.577780      8.808054
  Cl      1.307344     -5.651706      9.186526
  C      -1.354739     -5.299199      9.808563
  C      -1.052283     -5.181636     11.242877
  O      -0.049542     -5.625048     11.804288
  C      -2.008333     -4.405098     12.165839
  O      -2.860342     -3.611796     11.820928
  C      -2.682897     -5.215127      9.366199
  C      -3.055491     -5.354265      8.024719
  C      -4.451152     -5.497842      7.722987
  O      -4.956290     -5.591492      6.574648
  H      -4.006159     -2.143392      0.999291
  H      -4.585555      3.850752      4.260524
  H      -3.983270      0.597744      5.110790
  H      -3.899702     -1.208631      6.517739
  H      -6.337195     -3.247729      5.582603
  H     -11.588484     -0.830396      1.874700
  H      -9.376641     -3.455798      1.694508
  H      -6.551714     -5.690947      1.388313
  H       0.083066     -5.913411      6.756552
  H      -1.755403     -4.592670     13.238226
  H      -3.475652     -5.072931     10.099764
  H      -5.136867     -5.589711      8.584150
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.891008552640
  N      -3.553674     -3.579975      3.232878
  C      -3.417782     -4.298529      1.957753
  C      -2.767111     -5.640288      2.210517
  N      -3.475034     -6.375273      3.297554
  C      -4.709771     -7.048682      2.771027
  C      -5.903321     -6.684516      3.646327
  N      -5.841104     -5.275528      4.008836
  Mo     -3.989972     -4.770709      4.808052
  N      -2.383828     -5.692963      5.702055
  C      -1.574960     -6.568415      4.848142
  C      -2.545612     -7.332600      3.957222
  H      -1.005017     -7.293490      5.448826
  H      -0.846294     -5.991897      4.254157
  H      -3.153584     -8.001263      4.582692
  H      -2.013004     -7.941275      3.205984
  H      -6.846740     -6.952747      3.147626
  H      -5.865777     -7.274298      4.581092
  H      -4.874678     -6.701318      1.742610
  H      -4.553725     -8.137007      2.733225
  H      -2.777513     -3.740824      1.256725
  H      -4.407980     -4.413318      1.480588
  H      -1.731308     -5.472403      2.531028
  H      -2.743381     -6.250936      1.292798
  C      -3.772267     -2.222529      3.154737
  C      -3.930912     -1.566001      1.908865
  C      -4.085437     -0.195343      1.803330
  Cl     -4.291711      0.445812      0.207215
  C      -4.061544      0.643390      2.956841
  C      -4.233299      2.102125      2.938282
  O      -4.575116      2.790566      1.978802
  C      -3.901232      2.948722      4.180587
  O      -2.940848      2.776831      4.903999
  C      -3.940737      0.000860      4.188727
  C      -3.850977     -1.396806      4.338377
  C      -3.916119     -1.903756      5.656824
  O      -4.069337     -3.152250      5.945921
  C      -6.842951     -4.377378      3.796220
  C      -6.998752     -3.311741      4.728556
  C      -7.980405     -2.354434      4.597745
  Cl     -8.029887     -1.115695      5.816021
  C      -8.899760     -2.365407      3.506723
  C      -9.971788     -1.392067      3.301810
  O     -10.438127     -0.616722      4.140953
  C     -10.573385     -1.191611      1.901235
  O      -9.944421     -1.217701      0.862005
  C      -8.745152     -3.412448      2.589088
  C      -7.755898     -4.394229      2.681255
  C      -7.581130     -5.254391      1.505107
  O      -8.427836     -5.461992      0.642223
  C      -2.062956     -5.588394      7.020020
  C      -0.730754     -5.735952      7.475674
  C      -0.396903     -5.563458      8.809281
  Cl      1.288286     -5.633337      9.194443
  C      -1.376079     -5.281186      9.805574
  C      -1.077657     -5.157192     11.240100
  O      -0.076199     -5.597610     11.806035
  C      -2.035431     -4.374454     12.155682
  O      -2.884175     -3.580954     11.803153
  C      -2.702833     -5.201959      9.359071
  C      -3.071017     -5.347336      8.017120
  C      -4.464382     -5.498818      7.709337
  O      -4.962623     -5.591619      6.558107
  H      -3.957944     -2.136820      0.984702
  H      -4.548015      3.857456      4.241550
  H      -3.956593      0.598848      5.099070
  H      -3.897857     -1.207703      6.504155
  H      -6.350144     -3.280165      5.600889
  H     -11.632627     -0.838737      1.954067
  H      -9.394981     -3.459818      1.715395
  H      -6.557327     -5.680029      1.380614
  H       0.071372     -5.909333      6.760637
  H      -1.787277     -4.556614     13.230020
  H      -3.498383     -5.058348     10.089255
  H      -5.153281     -5.598983      8.566952
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.891136672497
  N      -3.543646     -3.575654      3.225421
  C      -3.402503     -4.294267      1.951011
  C      -2.755992     -5.637551      2.206886
  N      -3.470791     -6.371173      3.290014
  C      -4.704765     -7.040670      2.757207
  C      -5.899672     -6.678966      3.631067
  N      -5.837050     -5.270502      3.996626
  Mo     -3.989122     -4.766199      4.799274
  N      -2.389349     -5.692662      5.699569
  C      -1.578934     -6.570602      4.849498
  C      -2.547470     -7.331459      3.953700
  H      -1.014811     -7.297771      5.453183
  H      -0.845178     -5.996436      4.259536
  H      -3.160427     -7.998623      4.575931
  H      -2.013180     -7.941329      3.204602
  H      -6.842202     -6.944760      3.129417
  H      -5.864913     -7.271323      4.564399
  H      -4.866828     -6.687210      1.730399
  H      -4.549599     -8.128940      2.714152
  H      -2.756297     -3.738418      1.253895
  H      -4.390168     -4.406221      1.467778
  H      -1.721440     -5.471641      2.532566
  H      -2.728812     -6.248235      1.289245
  C      -3.753820     -2.217072      3.147139
  C      -3.897814     -1.558021      1.900641
  C      -4.040659     -0.186127      1.795375
  Cl     -4.224894      0.458727      0.197768
  C      -4.020569      0.651208      2.949862
  C      -4.181314      2.111249      2.931546
  O      -4.516172      2.802182      1.971435
  C      -3.843321      2.953910      4.175033
  O      -2.890749      2.767402      4.905056
  C      -3.915170      0.006584      4.181973
  C      -3.836582     -1.391951      4.331095
  C      -3.913236     -1.899395      5.648610
  O      -4.071265     -3.147744      5.936038
  C      -6.847165     -4.378507      3.795736
  C      -7.009132     -3.319973      4.734563
  C      -8.005780     -2.376333      4.616816
  Cl     -8.063470     -1.145879      5.842979
  C      -8.933490     -2.394523      3.532914
  C     -10.022883     -1.437741      3.343423
  O     -10.494740     -0.675774      4.191793
  C     -10.638837     -1.236155      1.949320
  O     -10.020107     -1.250373      0.903818
  C      -8.768143     -3.430882      2.605126
  C      -7.763845     -4.398240      2.684120
  C      -7.578046     -5.243872      1.499419
  O      -8.423382     -5.457440      0.636595
  C      -2.071333     -5.585718      7.018068
  C      -0.740658     -5.735550      7.477275
  C      -0.409592     -5.560823      8.811359
  Cl      1.274494     -5.634616      9.200449
  C      -1.390461     -5.273602      9.804526
  C      -1.095402     -5.145472     11.239212
  O      -0.095534     -5.584599     11.809140
  C      -2.055151     -4.360299     12.150625
  O      -2.902982     -3.567445     11.794433
  C      -2.716035     -5.192406      9.354502
  C      -3.081334     -5.340088      8.012087
  C      -4.474345     -5.488685      7.701006
  O      -4.969509     -5.582749      6.548627
  H      -3.920714     -2.127584      0.975587
  H      -4.476246      3.872653      4.231408
  H      -3.934096      0.603909      5.092844
  H      -3.898979     -1.203790      6.496404
  H      -6.354598     -3.283893      5.602181
  H     -11.701263     -0.894906      2.014889
  H      -9.421550     -3.480102      1.733987
  H      -6.547208     -5.650594      1.367932
  H       0.062738     -5.912747      6.764598
  H      -1.809552     -4.540196     13.225953
  H      -3.513022     -5.045210     10.082463
  H      -5.165916     -5.585101      8.556939
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.891276930887
  N      -3.534052     -3.570465      3.218252
  C      -3.381232     -4.286743      1.944195
  C      -2.738175     -5.631086      2.203713
  N      -3.465386     -6.365098      3.277567
  C      -4.697823     -7.025495      2.730977
  C      -5.892279     -6.678085      3.609712
  N      -5.833373     -5.271552      3.985404
  Mo     -3.990945     -4.763628      4.790217
  N      -2.402709     -5.698756      5.696969
  C      -1.589912     -6.581250      4.853176
  C      -2.554311     -7.333097      3.946205
  H      -1.038888     -7.314006      5.462300
  H      -0.845095     -6.011755      4.272721
  H      -3.177090     -7.999158      4.559871
  H      -2.017001     -7.943040      3.199241
  H      -6.835182     -6.941827      3.107996
  H      -5.853714     -7.277595      4.538413
  H      -4.858919     -6.648985      1.712211
  H      -4.541269     -8.112455      2.665445
  H      -2.726159     -3.730652      1.255371
  H      -4.363565     -4.396229      1.449252
  H      -1.706780     -5.466728      2.540241
  H      -2.702654     -6.240509      1.285417
  C      -3.736409     -2.211182      3.140889
  C      -3.862655     -1.548486      1.894200
  C      -3.993231     -0.175313      1.790500
  Cl     -4.151899      0.474731      0.191764
  C      -3.979186      0.659496      2.946547
  C      -4.125795      2.120998      2.929916
  O      -4.454209      2.816236      1.970807
  C      -3.773722      2.957000      4.174420
  O      -2.828585      2.749813      4.908418
  C      -3.893500      0.011569      4.178331
  C      -3.827182     -1.388068      4.325921
  C      -3.917672     -1.897063      5.641419
  O      -4.078251     -3.145915      5.926217
  C      -6.854026     -4.387918      3.797663
  C      -7.023181     -3.338600      4.745129
  C      -8.034109     -2.408391      4.641955
  Cl     -8.099993     -1.187705      5.877009
  C      -8.969050     -2.432053      3.564496
  C     -10.073375     -1.490811      3.388436
  O     -10.552308     -0.742548      4.245265
  C     -10.694260     -1.279557      1.997866
  O     -10.079600     -1.277845      0.950008
  C      -8.792951     -3.455879      2.625238
  C      -7.774443     -4.409460      2.689282
  C      -7.583328     -5.240742      1.495803
  O      -8.430184     -5.454063      0.634063
  C      -2.084700     -5.584406      7.015136
  C      -0.755246     -5.736910      7.476157
  C      -0.424759     -5.556076      8.809855
  Cl      1.258796     -5.636429      9.199854
  C      -1.405049     -5.258834      9.800356
  C      -1.111012     -5.120439     11.233904
  O      -0.111610     -5.555647     11.808234
  C      -2.071788     -4.330885     12.140337
  O      -2.923336     -3.543714     11.780328
  C      -2.730250     -5.175179      9.348244
  C      -3.094778     -5.329070      8.006576
  C      -4.488355     -5.472158      7.694848
  O      -4.982584     -5.570467      6.542777
  H      -3.879983     -2.116125      0.967807
  H      -4.386631      3.889282      4.228695
  H      -3.918404      0.607374      5.090295
  H      -3.911108     -1.202940      6.490562
  H      -6.363425     -3.299784      5.608461
  H     -11.758542     -0.945576      2.072570
  H      -9.449850     -3.505638      1.756419
  H      -6.549559     -5.636837      1.354680
  H       0.048302     -5.921903      6.765668
  H      -1.823669     -4.502640     13.216474
  H      -3.527079     -5.020788     10.074943
  H      -5.181746     -5.559228      8.550455
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.891408441963
  N      -3.518846     -3.566359      3.209574
  C      -3.357323     -4.281988      1.936376
  C      -2.720614     -5.628540      2.199931
  N      -3.459318     -6.360195      3.267254
  C      -4.690678     -7.013583      2.710464
  C      -5.886571     -6.671210      3.588318
  N      -5.828037     -5.265674      3.969760
  Mo     -3.989961     -4.758867      4.778844
  N      -2.410854     -5.701415      5.694164
  C      -1.597080     -6.588604      4.856250
  C      -2.558895     -7.334045      3.941566
  H      -1.055290     -7.324696      5.469636
  H      -0.844449     -6.023641      4.281444
  H      -3.190081     -7.997499      4.549485
  H      -2.019484     -7.946089      3.197815
  H      -6.828378     -6.932402      3.083248
  H      -5.850452     -7.274957      4.514516
  H      -4.848376     -6.625930      1.695382
  H      -4.535565     -8.100086      2.634321
  H      -2.694648     -3.727537      1.253492
  H      -4.335708     -4.387939      1.432753
  H      -1.691388     -5.467902      2.544801
  H      -2.679973     -6.237524      1.281512
  C      -3.713411     -2.206127      3.131746
  C      -3.825192     -1.541505      1.884438
  C      -3.945555     -0.167537      1.780688
  Cl     -4.086197      0.485108      0.181138
  C      -3.934737      0.666501      2.937391
  C      -4.069754      2.129173      2.920507
  O      -4.391853      2.826743      1.961001
  C      -3.711211      2.961592      4.165865
  O      -2.772994      2.741686      4.904909
  C      -3.864315      0.017172      4.169301
  C      -3.809416     -1.383109      4.316573
  C      -3.913406     -1.892378      5.630749
  O      -4.080524     -3.141069      5.913305
  C      -6.858320     -4.389179      3.798127
  C      -7.034421     -3.350193      4.754996
  C      -8.062322     -2.436686      4.668325
  Cl     -8.139120     -1.228149      5.914566
  C      -9.006247     -2.467184      3.599081
  C     -10.130071     -1.545526      3.442763
  O     -10.619009     -0.820017      4.313252
  C     -10.761901     -1.325881      2.058180
  O     -10.153641     -1.302024      1.006988
  C      -8.818689     -3.476539      2.646428
  C      -7.783308     -4.412546      2.694062
  C      -7.579063     -5.223532      1.489021
  O      -8.424343     -5.445161      0.627898
  C      -2.096129     -5.582597      7.012545
  C      -0.768631     -5.738361      7.478357
  C      -0.441635     -5.553076      8.812262
  Cl      1.240424     -5.638316      9.207728
  C      -1.423755     -5.247906      9.798639
  C      -1.133565     -5.103919     11.232336
  O      -0.136539     -5.538171     11.811584
  C      -2.095478     -4.308689     12.132638
  O      -2.943858     -3.520701     11.766953
  C      -2.747359     -5.161678      9.342120
  C      -3.108232     -5.319721      8.000031
  C      -4.501251     -5.459761      7.684194
  O      -4.991993     -5.559952      6.530974
  H      -3.838683     -2.108426      0.957533
  H      -4.311381      3.902400      4.216197
  H      -3.892664      0.612589      5.081488
  H      -3.911362     -1.199168      6.480647
  H      -6.367973     -3.307044      5.612933
  H     -11.830606     -1.008847      2.143719
  H      -9.480158     -3.527471      1.781047
  H      -6.536239     -5.592545      1.338676
  H       0.036504     -5.929623      6.771313
  H      -1.850990     -4.476869     13.210200
  H      -3.545817     -5.001621     10.065836
  H      -5.197622     -5.542445      8.537905
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.891547449603
  N      -3.495086     -3.563775      3.199872
  C      -3.317737     -4.276530      1.927379
  C      -2.690677     -5.626224      2.196430
  N      -3.450264     -6.354118      3.251204
  C      -4.679601     -6.994062      2.675790
  C      -5.876628     -6.664960      3.555656
  N      -5.821905     -5.261765      3.950183
  Mo     -3.990381     -4.755313      4.763439
  N      -2.425262     -5.710671      5.690893
  C      -1.611991     -6.607703      4.863219
  C      -2.570386     -7.339933      3.934857
  H      -1.087012     -7.349838      5.483860
  H      -0.845462     -6.052182      4.297498
  H      -3.217585     -7.997933      4.531838
  H      -2.028191     -7.956497      3.196845
  H      -6.817381     -6.924430      3.047792
  H      -5.839656     -7.277268      4.476395
  H      -4.833984     -6.582775      1.669656
  H      -4.526145     -8.078912      2.575199
  H      -2.644931     -3.722217      1.254393
  H      -4.289624     -4.378228      1.410269
  H      -1.665817     -5.472111      2.556717
  H      -2.640569     -6.233400      1.277218
  C      -3.682921     -2.202701      3.121515
  C      -3.781289     -1.536589      1.873468
  C      -3.894735     -0.162302      1.769234
  Cl     -4.025541      0.491945      0.169531
  C      -3.886144      0.671558      2.926431
  C      -4.009152      2.135290      2.908957
  O      -4.323145      2.835984      1.949166
  C      -3.647292      2.964154      4.156334
  O      -2.713360      2.735642      4.898054
  C      -3.829861      0.021358      4.158474
  C      -3.786185     -1.379372      4.305585
  C      -3.907641     -1.889089      5.617743
  O      -4.084961     -3.137605      5.896682
  C      -6.863932     -4.393370      3.800747
  C      -7.048767     -3.370658      4.772586
  C      -8.094803     -2.475593      4.706266
  Cl     -8.185385     -1.284021      5.967922
  C      -9.046788     -2.509032      3.644946
  C     -10.192802     -1.609734      3.514262
  O     -10.698401     -0.921495      4.404553
  C     -10.829770     -1.371030      2.134449
  O     -10.220357     -1.310666      1.085563
  C      -8.846932     -3.498290      2.673895
  C      -7.793568     -4.414779      2.701435
  C      -7.574830     -5.198307      1.480744
  O      -8.417705     -5.427183      0.619409
  C      -2.113478     -5.582331      7.008614
  C      -0.788280     -5.743038      7.480280
  C      -0.464590     -5.548508      8.813443
  Cl      1.215652     -5.640947      9.215361
  C      -1.447737     -5.229130      9.794750
  C      -1.160619     -5.076293     11.228216
  O      -0.166591     -5.510068     11.812975
  C      -2.121120     -4.269816     12.120165
  O      -2.964442     -3.479994     11.746668
  C      -2.769419     -5.139201      9.333346
  C      -3.126592     -5.305545      7.991408
  C      -4.519270     -5.441821      7.671763
  O      -5.007334     -5.546939      6.518349
  H      -3.791707     -2.103364      0.946401
  H      -4.240063      3.909865      4.205017
  H      -3.862146      0.616373      5.070797
  H      -3.911048     -1.197781      6.469117
  H      -6.375682     -3.325447      5.625275
  H     -11.905214     -1.079253      2.225439
  H      -9.513278     -3.547654      1.812234
  H      -6.521950     -5.534350      1.320486
  H       0.018284     -5.945906      6.778048
  H      -1.879707     -4.431275     13.199501
  H      -3.569156     -4.969064     10.053312
  H      -5.217950     -5.516750      8.524545
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.891678734894
  N      -3.481356     -3.560358      3.191217
  C      -3.294831     -4.271710      1.919312
  C      -2.674457     -5.623582      2.192262
  N      -3.445580     -6.348556      3.240268
  C      -4.673243     -6.982086      2.654996
  C      -5.871884     -6.659852      3.534386
  N      -5.819745     -5.257915      3.935180
  Mo     -3.992140     -4.750407      4.750911
  N      -2.434061     -5.710585      5.686875
  C      -1.620584     -6.612947      4.865374
  C      -2.576634     -7.339514      3.930311
  H      -1.104363     -7.357599      5.490320
  H      -0.846861     -6.062573      4.304359
  H      -3.232342     -7.993657      4.522220
  H      -2.032783     -7.959351      3.196270
  H      -6.811445     -6.918442      3.023961
  H      -5.835544     -7.276563      4.452297
  H      -4.824897     -6.560720      1.652628
  H      -4.520411     -8.066068      2.544071
  H      -2.614997     -3.718252      1.252775
  H      -4.262604     -4.370051      1.393921
  H      -1.652110     -5.473399      2.561173
  H      -2.619128     -6.230469      1.273157
  C      -3.660060     -2.198026      3.113112
  C      -3.743011     -1.529802      1.864930
  C      -3.844137     -0.154594      1.761139
  Cl     -3.955980      0.502266      0.161038
  C      -3.838090      0.678081      2.919277
  C      -3.947640      2.142838      2.902367
  O      -4.247301      2.847536      1.940915
  C      -3.588962      2.967122      4.153738
  O      -2.662567      2.729973      4.902140
  C      -3.797896      0.026200      4.151010
  C      -3.766994     -1.374994      4.297101
  C      -3.903199     -1.884957      5.607610
  O      -4.089867     -3.132790      5.883747
  C      -6.870790     -4.397175      3.801069
  C      -7.062215     -3.386048      4.783063
  C      -8.122157     -2.506145      4.731668
  Cl     -8.222446     -1.328093      6.005300
  C      -9.080388     -2.543234      3.676176
  C     -10.243540     -1.662729      3.565487
  O     -10.756638     -0.998991      4.469732
  C     -10.893384     -1.416513      2.192879
  O     -10.291720     -1.333372      1.141104
  C      -8.871306     -3.518231      2.692619
  C      -7.804354     -4.419069      2.705555
  C      -7.576388     -5.185304      1.475439
  O      -8.417012     -5.417940      0.613102
  C      -2.125542     -5.577583      7.004663
  C      -0.802046     -5.740615      7.480702
  C      -0.481385     -5.541606      8.813820
  Cl      1.197452     -5.637760      9.220771
  C      -1.466204     -5.215316      9.791368
  C      -1.182301     -5.057865     11.224881
  O      -0.190594     -5.491568     11.813675
  C      -2.142867     -4.245648     12.111497
  O      -2.982635     -3.454344     11.733155
  C      -2.786395     -5.123824      9.326050
  C      -3.140357     -5.294375      7.983853
  C      -4.532452     -5.429491      7.660827
  O      -5.017467     -5.537954      6.506720
  H      -3.750151     -2.095541      0.937217
  H      -4.174279      3.917601      4.199144
  H      -3.832429      0.620434      5.063728
  H      -3.909727     -1.194509      6.459631
  H      -6.383880     -3.338061      5.631397
  H     -11.973071     -1.144477      2.293758
  H      -9.541237     -3.568057      1.833934
  H      -6.518214     -5.502633      1.310737
  H       0.005737     -5.949160      6.781558
  H      -1.904991     -4.404343     13.191993
  H      -3.587725     -4.949036     10.043083
  H      -5.233181     -5.500585      8.512344
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.891809235362
  N      -3.466737     -3.558704      3.181544
  C      -3.268441     -4.267329      1.909811
  C      -2.655331     -5.621197      2.187463
  N      -3.440491     -6.342563      3.226829
  C      -4.665429     -6.968949      2.629193
  C      -5.866381     -6.658353      3.508510
  N      -5.820508     -5.258726      3.919218
  Mo     -3.996774     -4.746591      4.735436
  N      -2.444606     -5.710041      5.681377
  C      -1.631416     -6.619220      4.867600
  C      -2.584871     -7.339398      3.925046
  H      -1.125600     -7.366457      5.497946
  H      -0.849081     -6.075732      4.311652
  H      -3.251078     -7.988045      4.511166
  H      -2.039372     -7.963741      3.196085
  H      -6.804195     -6.917489      2.995310
  H      -5.828735     -7.281730      4.421896
  H      -4.814265     -6.535553      1.631499
  H      -4.512215     -8.051575      2.505180
  H      -2.581205     -3.713494      1.251473
  H      -4.231224     -4.362946      1.375054
  H      -1.636609     -5.475180      2.567726
  H      -2.592878     -6.228062      1.268836
  C      -3.634481     -2.194535      3.104431
  C      -3.699979     -1.523828      1.856509
  C      -3.787449     -0.147614      1.753744
  Cl     -3.878410      0.512179      0.153685
  C      -3.785240      0.683323      2.913158
  C      -3.881792      2.148856      2.897346
  O      -4.161383      2.858026      1.933014
  C      -3.535935      2.968910      4.154832
  O      -2.618865      2.726873      4.913150
  C      -3.762571      0.029381      4.144214
  C      -3.745078     -1.372162      4.288457
  C      -3.899190     -1.882436      5.596822
  O      -4.098933     -3.128848      5.869147
  C      -6.882082     -4.407261      3.803102
  C      -7.081955     -3.413371      4.800340
  C      -8.153211     -2.546169      4.764387
  Cl     -8.264617     -1.388778      6.056138
  C      -9.113466     -2.578510      3.710613
  C     -10.290488     -1.713102      3.620579
  O     -10.810199     -1.076682      4.540214
  C     -10.949626     -1.453842      2.255058
  O     -10.352511     -1.345386      1.202851
  C      -8.895935     -3.536467      2.712217
  C      -7.818495     -4.424826      2.710312
  C      -7.584611     -5.174881      1.470806
  O      -8.422862     -5.403498      0.605424
  C      -2.139280     -5.570114      6.998866
  C      -0.817262     -5.734344      7.479222
  C      -0.499381     -5.529192      8.811882
  Cl      1.178159     -5.627778      9.223764
  C      -1.485836     -5.195454      9.785545
  C      -1.204940     -5.032510     11.218868
  O      -0.215458     -5.465965     11.811664
  C      -2.165246     -4.213812     12.099460
  O      -3.002258     -3.422204     11.715666
  C      -2.804568     -5.103499      9.316498
  C      -3.155605     -5.280031      7.974365
  C      -4.547105     -5.416373      7.648934
  O      -5.029594     -5.531187      6.494859
  H      -3.703349     -2.087991      0.927902
  H      -4.118283      3.921301      4.195700
  H      -3.799931      0.622292      5.057520
  H      -3.908534     -1.192953      6.449568
  H      -6.400525     -3.367898      5.646267
  H     -12.033173     -1.200901      2.361984
  H      -9.567569     -3.582514      1.854965
  H      -6.524128     -5.483902      1.305410
  H      -0.008578     -5.949276      6.783120
  H      -1.930290     -4.367925     13.181169
  H      -3.607569     -4.923871     10.030387
  H      -5.248869     -5.483146      8.500077
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.891932546981
  N      -3.457163     -3.554011      3.173483
  C      -3.254360     -4.262684      1.902443
  C      -2.646153     -5.618146      2.183113
  N      -3.438130     -6.336944      3.218832
  C      -4.661898     -6.959745      2.615452
  C      -5.864363     -6.652122      3.493052
  N      -5.819679     -5.252886      3.906257
  Mo     -3.998080     -4.740428      4.724826
  N      -2.451100     -5.706579      5.677368
  C      -1.637318     -6.618787      4.867613
  C      -2.588920     -7.336305      3.921262
  H      -1.137066     -7.367513      5.500683
  H      -0.850476     -6.078441      4.314977
  H      -3.259909     -7.982436      4.504695
  H      -2.042413     -7.962581      3.194707
  H      -6.800917     -6.910300      2.977126
  H      -5.828700     -7.277744      4.405089
  H      -4.807930     -6.521726      1.619359
  H      -4.509206     -8.042018      2.487347
  H      -2.561854     -3.710826      1.248055
  H      -4.214636     -4.355604      1.362742
  H      -1.628936     -5.474572      2.568295
  H      -2.580944     -6.225707      1.265119
  C      -3.613943     -2.188492      3.096908
  C      -3.664605     -1.515626      1.849361
  C      -3.737832     -0.138511      1.747753
  Cl     -3.809184      0.524051      0.147672
  C      -3.736853      0.690957      2.908167
  C      -3.818985      2.157298      2.893575
  O      -4.082666      2.870356      1.927518
  C      -3.476221      2.972435      4.154907
  O      -2.568237      2.720636      4.920994
  C      -3.730427      0.035261      4.138466
  C      -3.726524     -1.366605      4.281163
  C      -3.893991     -1.876840      5.587860
  O      -4.102630     -3.122196      5.857754
  C      -6.889791     -4.410053      3.802717
  C      -7.096032     -3.425631      4.807579
  C      -8.180243     -2.573969      4.784539
  Cl     -8.300195     -1.428663      6.086215
  C      -9.146588     -2.612536      3.736437
  C     -10.337793     -1.765370      3.661587
  O     -10.860206     -1.144002      4.590063
  C     -11.011514     -1.505328      2.303624
  O     -10.425035     -1.378844      1.247417
  C      -8.919932     -3.557779      2.727934
  C      -7.829782     -4.430141      2.713286
  C      -7.587307     -5.164369      1.466000
  O      -8.423780     -5.397134      0.600065
  C      -2.148616     -5.564239      6.995180
  C      -0.828191     -5.730567      7.479203
  C      -0.513137     -5.523124      8.812178
  Cl      1.163108     -5.625095      9.228422
  C      -1.501239     -5.184715      9.782550
  C      -1.223711     -5.018581     11.216054
  O      -0.236461     -5.452078     11.812605
  C      -2.185015     -4.196430     12.092261
  O      -3.019165     -3.403714     11.704561
  C      -2.818645     -5.091054      9.310008
  C      -3.166822     -5.269929      7.967446
  C      -4.557754     -5.404742      7.638964
  O      -5.037324     -5.521778      6.484016
  H      -3.666426     -2.078464      0.919950
  H      -4.049465      3.930455      4.192015
  H      -3.769390      0.627467      5.052207
  H      -3.905682     -1.187808      6.440980
  H      -6.409972     -3.376266      5.649488
  H     -12.097871     -1.269865      2.421399
  H      -9.594559     -3.605349      1.873050
  H      -6.522235     -5.455216      1.295547
  H      -0.018417     -5.949137      6.785510
  H      -1.953695     -4.349019     13.174974
  H      -3.623098     -4.908243     10.021473
  H      -5.261748     -5.468274      8.488567
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892050745656
  N      -3.450281     -3.549698      3.164818
  C      -3.243954     -4.258374      1.894032
  C      -2.639124     -5.614726      2.177797
  N      -3.436922     -6.331183      3.210537
  C      -4.658746     -6.952126      2.601305
  C      -5.863291     -6.649687      3.476822
  N      -5.822069     -5.250853      3.893141
  Mo     -4.001848     -4.735167      4.712834
  N      -2.458306     -5.701196      5.672119
  C      -1.643210     -6.615639      4.866293
  C      -2.592579     -7.332051      3.916943
  H      -1.147876     -7.365520      5.502018
  H      -0.852142     -6.078044      4.316960
  H      -3.267190     -7.976003      4.498567
  H      -2.045042     -7.959589      3.192255
  H      -6.797805     -6.908042      2.957345
  H      -5.829222     -7.278222      4.387047
  H      -4.802056     -6.509616      1.606801
  H      -4.505099     -8.033906      2.469465
  H      -2.546984     -3.708383      1.243023
  H      -4.202359     -4.349955      1.350908
  H      -1.623578     -5.472131      2.567714
  H      -2.570927     -6.223789      1.260994
  C      -3.592856     -2.182358      3.089570
  C      -3.626348     -1.506419      1.843072
  C      -3.682198     -0.128256      1.743740
  Cl     -3.730954      0.537924      0.144089
  C      -3.682344      0.698898      2.905737
  C      -3.747785      2.165997      2.893712
  O      -3.989307      2.883985      1.925282
  C      -3.413025      2.974778      4.160712
  O      -2.517546      2.712401      4.938072
  C      -3.694840      0.040531      4.134616
  C      -3.706908     -1.361629      4.274453
  C      -3.890632     -1.872143      5.578946
  O      -4.111051     -3.115654      5.845577
  C      -6.903143     -4.419530      3.803925
  C      -7.118635     -3.448936      4.819935
  C      -8.214398     -2.611697      4.810177
  Cl     -8.345729     -1.485787      6.127408
  C      -9.183071     -2.650987      3.764045
  C     -10.384113     -1.817675      3.700323
  O     -10.908300     -1.206429      4.634904
  C     -11.067236     -1.553929      2.348680
  O     -10.487588     -1.406386      1.291241
  C      -8.945869     -3.580647      2.743585
  C      -7.844947     -4.438799      2.716161
  C      -7.594891     -5.155941      1.460429
  O      -8.429862     -5.386910      0.592526
  C      -2.157734     -5.555383      6.990018
  C      -0.838552     -5.722518      7.477047
  C      -0.525807     -5.512098      8.810157
  Cl      1.149407     -5.616142      9.229910
  C      -1.515336     -5.169286      9.777451
  C      -1.240917     -4.999053     11.211012
  O      -0.255786     -5.432223     11.811419
  C      -2.203764     -4.173969     12.082551
  O      -3.036624     -3.381900     11.690725
  C      -2.831708     -5.075001      9.302019
  C      -3.177678     -5.257241      7.959289
  C      -4.568085     -5.392224      7.629094
  O      -5.045426     -5.514026      6.473878
  H      -3.627483     -2.066944      0.912238
  H      -3.976738      3.938591      4.192847
  H      -3.735650      0.631551      5.049136
  H      -3.904970     -1.183440      6.432426
  H      -6.430016     -3.400063      5.659733
  H     -12.156277     -1.335072      2.473425
  H      -9.621111     -3.625693      1.888772
  H      -6.527026     -5.434333      1.285418
  H      -0.027986     -5.944350      6.785290
  H      -1.975459     -4.323796     13.166346
  H      -3.637380     -4.889311     10.011433
  H      -5.273688     -5.451544      8.477779
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892156887663
  N      -3.441161     -3.544401      3.156811
  C      -3.232251     -4.253317      1.886670
  C      -2.631891     -5.611166      2.172339
  N      -3.435300     -6.325145      3.202345
  C      -4.655834     -6.944018      2.588861
  C      -5.861244     -6.643845      3.463486
  N      -5.821325     -5.244577      3.880402
  Mo     -4.004221     -4.728237      4.702211
  N      -2.465104     -5.696331      5.667652
  C      -1.649022     -6.613036      4.865501
  C      -2.596337     -7.327594      3.912758
  H      -1.157454     -7.363468      5.503468
  H      -0.854933     -6.077392      4.318553
  H      -3.275002     -7.969504      4.491940
  H      -2.047452     -7.957184      3.190881
  H      -6.794777     -6.902641      2.942561
  H      -5.828188     -7.272974      4.373389
  H      -4.798511     -6.497083      1.596250
  H      -4.501906     -8.025206      2.452564
  H      -2.531838     -3.705408      1.237638
  H      -4.189323     -4.342150      1.340698
  H      -1.617293     -5.471158      2.565553
  H      -2.562155     -6.220189      1.255627
  C      -3.572658     -2.176099      3.082269
  C      -3.591303     -1.498091      1.836355
  C      -3.633222     -0.119427      1.738282
  Cl     -3.663474      0.549303      0.139144
  C      -3.634070      0.706374      2.901383
  C      -3.684132      2.174111      2.890893
  O      -3.910623      2.896156      1.921931
  C      -3.351419      2.977620      4.161982
  O      -2.463821      2.705767      4.945050
  C      -3.662560      0.046485      4.129194
  C      -3.688520     -1.355637      4.267273
  C      -3.886259     -1.865986      5.569808
  O      -4.115848     -3.108564      5.833909
  C      -6.909402     -4.420352      3.803340
  C      -7.128727     -3.456718      4.824587
  C      -8.236529     -2.634994      4.826680
  Cl     -8.375886     -1.518475      6.150994
  C      -9.212329     -2.682877      3.787717
  C     -10.427829     -1.869237      3.739968
  O     -10.955049     -1.275263      4.683697
  C     -11.127865     -1.608800      2.395937
  O     -10.560774     -1.445316      1.334244
  C      -8.968463     -3.601588      2.758825
  C      -7.855911     -4.444069      2.720117
  C      -7.598937     -5.147807      1.458185
  O      -8.432213     -5.385125      0.590438
  C      -2.167669     -5.548836      6.985821
  C      -0.849886     -5.717324      7.476653
  C      -0.540165     -5.504903      8.810026
  Cl      1.133778     -5.610740      9.234389
  C      -1.531627     -5.158876      9.774427
  C      -1.260505     -4.986969     11.208420
  O      -0.276921     -5.419508     11.811723
  C      -2.224971     -4.159997     12.076564
  O      -3.055231     -3.366811     11.681538
  C      -2.846593     -5.063475      9.295569
  C      -3.189397     -5.247460      7.952291
  C      -4.579123     -5.381659      7.618663
  O      -5.053785     -5.504725      6.462598
  H      -3.590945     -2.057407      0.904777
  H      -3.906859      3.946363      4.191921
  H      -3.704675      0.636631      5.044180
  H      -3.903290     -1.177780      6.423595
  H      -6.434275     -3.401384      5.659227
  H     -12.219417     -1.410091      2.532266
  H      -9.648261     -3.650211      1.907921
  H      -6.527212     -5.409326      1.280043
  H      -0.037859     -5.941745      6.787434
  H      -2.000267     -4.309552     13.161140
  H      -3.653773     -4.875388     10.002640
  H      -5.286708     -5.439165      8.465880
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892255448493
  N      -3.435452     -3.538250      3.149892
  C      -3.227125     -4.248276      1.880132
  C      -2.629633     -5.607146      2.167027
  N      -3.435552     -6.319267      3.196317
  C      -4.655469     -6.937616      2.581143
  C      -5.861245     -6.638362      3.455024
  N      -5.822322     -5.238053      3.869846
  Mo     -4.006464     -4.721344      4.693593
  N      -2.470336     -5.690302      5.663281
  C      -1.652847     -6.607396      4.863014
  C      -2.598622     -7.321960      3.908765
  H      -1.162758     -7.357914      5.502036
  H      -0.857458     -6.072060      4.317599
  H      -3.278701     -7.963077      4.487182
  H      -2.048907     -7.952252      3.188159
  H      -6.793957     -6.898355      2.933280
  H      -5.828866     -7.266497      4.365652
  H      -4.798069     -6.488636      1.589419
  H      -4.501147     -8.018496      2.443201
  H      -2.524810     -3.702917      1.231189
  H      -4.184213     -4.335283      1.333952
  H      -1.615320     -5.468492      2.561474
  H      -2.559713     -6.216716      1.250695
  C      -3.554318     -2.168926      3.076566
  C      -3.558468     -1.488305      1.831777
  C      -3.584856     -0.109143      1.735914
  Cl     -3.596212      0.562577      0.137666
  C      -3.585664      0.714722      2.900408
  C      -3.619651      2.182811      2.892202
  O      -3.825471      2.909239      1.921851
  C      -3.295078      2.980919      4.168693
  O      -2.418028      2.700839      4.960755
  C      -3.630088      0.052794      4.126694
  C      -3.670201     -1.349217      4.262167
  C      -3.880568     -1.859677      5.562677
  O      -4.120021     -3.100928      5.824078
  C      -6.917412     -4.421716      3.801922
  C      -7.140328     -3.462308      4.825922
  C      -8.258144     -2.654091      4.837210
  Cl     -8.402694     -1.543504      6.165740
  C      -9.240349     -2.711638      3.804656
  C     -10.466867     -1.914345      3.767656
  O     -10.992178     -1.324583      4.715168
  C     -11.186417     -1.666348      2.431515
  O     -10.634711     -1.491606      1.363592
  C      -8.991079     -3.623454      2.770760
  C      -7.868550     -4.451919      2.723060
  C      -7.607515     -5.147167      1.457238
  O      -8.440916     -5.391086      0.591444
  C      -2.175132     -5.542064      6.981807
  C      -0.858496     -5.711662      7.475472
  C      -0.551139     -5.498501      8.809255
  Cl      1.121794     -5.606112      9.237024
  C      -1.544095     -5.150403      9.771429
  C      -1.275684     -4.977515     11.205813
  O      -0.293775     -5.410380     11.811567
  C      -2.241376     -4.149290     12.071568
  O      -3.069056     -3.354491     11.674420
  C      -2.857995     -5.053985      9.289904
  C      -3.198377     -5.238719      7.946126
  C      -4.587537     -5.371784      7.609992
  O      -5.060054     -5.495804      6.453193
  H      -3.558125     -2.045699      0.899057
  H      -3.843346      3.953853      4.194746
  H      -3.672645      0.641782      5.042403
  H      -3.899204     -1.171922      6.416799
  H      -6.440913     -3.400094      5.655853
  H     -12.279682     -1.487184      2.580872
  H      -9.674813     -3.676679      1.923327
  H      -6.533115     -5.394502      1.274302
  H      -0.045351     -5.937576      6.788064
  H      -2.019901     -4.299473     13.156721
  H      -3.666346     -4.864470      9.995240
  H      -5.296850     -5.427569      8.455906
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892345660476
  N      -3.428798     -3.532498      3.142544
  C      -3.219694     -4.243408      1.873316
  C      -2.625483     -5.603342      2.161578
  N      -3.434844     -6.313592      3.189304
  C      -4.653778     -6.930707      2.571187
  C      -5.860028     -6.633392      3.444480
  N      -5.822867     -5.232275      3.858252
  Mo     -4.008929     -4.714923      4.684212
  N      -2.476244     -5.685030      5.658663
  C      -1.657164     -6.602875      4.860874
  C      -2.600901     -7.316983      3.904266
  H      -1.169186     -7.353483      5.501387
  H      -0.860054     -6.068071      4.317427
  H      -3.283110     -7.957310      4.481060
  H      -2.049904     -7.947995      3.185304
  H      -6.791969     -6.894824      2.922168
  H      -5.827679     -7.260921      4.355524
  H      -4.796169     -6.478397      1.580931
  H      -4.498853     -8.011069      2.430066
  H      -2.515106     -3.700290      1.225144
  H      -4.176271     -4.328482      1.325969
  H      -1.611705     -5.466565      2.558047
  H      -2.554952     -6.213138      1.245456
  C      -3.535632     -2.162317      3.070437
  C      -3.524600     -1.479293      1.826862
  C      -3.536515     -0.099834      1.733219
  Cl     -3.527356      0.574497      0.136003
  C      -3.539014      0.722173      2.899082
  C      -3.558362      2.190450      2.893200
  O      -3.746313      2.920769      1.922111
  C      -3.239959      2.983505      4.174458
  O      -2.372952      2.694942      4.974503
  C      -3.599614      0.058445      4.123719
  C      -3.652996     -1.343366      4.256501
  C      -3.876160     -1.853879      5.554788
  O      -4.124814     -3.093962      5.813407
  C      -6.924402     -4.423293      3.800348
  C      -7.149344     -3.468373      4.827636
  C      -8.276230     -2.672798      4.848944
  Cl     -8.423941     -1.568006      6.181803
  C      -9.265498     -2.739037      3.823588
  C     -10.502983     -1.958365      3.799550
  O     -11.025977     -1.374796      4.752143
  C     -11.242781     -1.722189      2.472121
  O     -10.707252     -1.535991      1.397962
  C      -9.012498     -3.643791      2.784187
  C      -7.880960     -4.459059      2.726602
  C      -7.617827     -5.146305      1.456753
  O      -8.452122     -5.396235      0.593593
  C      -2.183713     -5.535477      6.977530
  C      -0.868341     -5.705825      7.474489
  C      -0.563779     -5.491294      8.808667
  Cl      1.108058     -5.600220      9.240397
  C      -1.558520     -5.140973      9.768234
  C      -1.293230     -4.966540     11.202938
  O      -0.312771     -5.398763     11.811463
  C      -2.260534     -4.136792     12.065510
  O      -3.086051     -3.341233     11.665445
  C      -2.871201     -5.043835      9.283613
  C      -3.208715     -5.229917      7.939341
  C      -4.597177     -5.362338      7.600268
  O      -5.067158     -5.487501      6.442618
  H      -3.522790     -2.034827      0.893052
  H      -3.780229      3.960970      4.196742
  H      -3.643692      0.646182      5.040141
  H      -3.897022     -1.166701      6.409311
  H      -6.444632     -3.399987      5.652574
  H     -12.337184     -1.563072      2.635186
  H      -9.700944     -3.701341      1.940910
  H      -6.541242     -5.380525      1.268667
  H      -0.053787     -5.933464      6.789339
  H      -2.042186     -4.286434     13.151356
  H      -3.680967     -4.852674      9.986893
  H      -5.308385     -5.416711      8.444705
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892425953455
  N      -3.422637     -3.525995      3.136228
  C      -3.214430     -4.237897      1.867306
  C      -2.623513     -5.599078      2.156265
  N      -3.435267     -6.307322      3.183454
  C      -4.654004     -6.923367      2.563961
  C      -5.860067     -6.626607      3.437094
  N      -5.823945     -5.224316      3.848189
  Mo     -4.011006     -4.707534      4.676205
  N      -2.481048     -5.678857      5.654270
  C      -1.661031     -6.597330      4.858221
  C      -2.603611     -7.311260      3.900333
  H      -1.174287     -7.347871      5.499741
  H      -0.862951     -6.062916      4.315802
  H      -3.287338     -7.950777      4.476212
  H      -2.051924     -7.943021      3.182574
  H      -6.791670     -6.889929      2.915196
  H      -5.827227     -7.252498      4.349270
  H      -4.796438     -6.469204      1.574554
  H      -4.499161     -8.003522      2.421178
  H      -2.508156     -3.697222      1.219086
  H      -4.171117     -4.320834      1.319855
  H      -1.609735     -5.464562      2.553480
  H      -2.553721     -6.209154      1.240274
  C      -3.517226     -2.155026      3.065431
  C      -3.492216     -1.469794      1.823165
  C      -3.489811     -0.090192      1.731877
  Cl     -3.462291      0.586745      0.135947
  C      -3.492770      0.729938      2.899097
  C      -3.497558      2.198192      2.895557
  O      -3.667986      2.932176      1.923925
  C      -3.185128      2.986464      4.181240
  O      -2.327182      2.690370      4.988286
  C      -3.568340      0.064682      4.122054
  C      -3.634928     -1.336841      4.252133
  C      -3.869814     -1.847309      5.548313
  O      -4.127637     -3.086119      5.804254
  C      -6.931341     -4.422550      3.797923
  C      -7.158000     -3.469069      4.825851
  C      -8.293671     -2.686120      4.855173
  Cl     -8.443676     -1.582867      6.188962
  C      -9.290482     -2.764415      3.837901
  C     -10.539181     -2.001602      3.825686
  O     -11.059001     -1.420760      4.781698
  C     -11.300723     -1.783331      2.507442
  O     -10.782795     -1.588222      1.426240
  C      -9.034038     -3.664861      2.795370
  C      -7.893454     -4.466488      2.729525
  C      -7.628256     -5.148146      1.456951
  O      -8.463451     -5.406704      0.597315
  C      -2.190924     -5.529008      6.973529
  C      -0.876804     -5.700732      7.473426
  C      -0.574802     -5.485791      8.808096
  Cl      1.095993     -5.596564      9.243454
  C      -1.571081     -5.133683      9.765446
  C      -1.308667     -4.958963     11.200633
  O      -0.329991     -5.391833     11.811507
  C      -2.276981     -4.127735     12.060747
  O      -3.099365     -3.330080     11.658462
  C      -2.882626     -5.035330      9.278029
  C      -3.217528     -5.221773      7.933153
  C      -4.605351     -5.353269      7.591354
  O      -5.073048     -5.478691      6.432793
  H      -3.489971     -2.023484      0.888265
  H      -3.718683      3.967680      4.200557
  H      -3.613130      0.651251      5.039191
  H      -3.891869     -1.160915      6.403438
  H      -6.448127     -3.392129      5.645546
  H     -12.395806     -1.645459      2.684577
  H      -9.727370     -3.729341      1.956661
  H      -6.549437     -5.368360      1.263825
  H      -0.060968     -5.929794      6.790275
  H      -2.062203     -4.278267     13.147184
  H      -3.693661     -4.842942      9.979504
  H      -5.318340     -5.406835      8.434344
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892501199359
  N      -3.415742     -3.520084      3.129247
  C      -3.206652     -4.232673      1.860779
  C      -2.619326     -5.595057      2.150980
  N      -3.434681     -6.301306      3.176538
  C      -4.652679     -6.915588      2.554119
  C      -5.858984     -6.620690      3.426898
  N      -5.824890     -5.217613      3.837002
  Mo     -4.013323     -4.700750      4.667189
  N      -2.486678     -5.673370      5.649643
  C      -1.665594     -6.593090      4.856168
  C      -2.606452     -7.306229      3.895996
  H      -1.181377     -7.343877      5.499307
  H      -0.865535     -6.059736      4.315603
  H      -3.292616     -7.944681      4.470148
  H      -2.053705     -7.938848      3.179822
  H      -6.790068     -6.885790      2.905090
  H      -5.825380     -7.245999      4.339480
  H      -4.794432     -6.458328      1.566049
  H      -4.497788     -7.995364      2.408403
  H      -2.497763     -3.694229      1.213719
  H      -4.162606     -4.313468      1.311734
  H      -1.606015     -5.462834      2.550145
  H      -2.549217     -6.205389      1.235183
  C      -3.498477     -2.148384      3.059795
  C      -3.458645     -1.461163      1.818919
  C      -3.442663     -0.081526      1.729991
  Cl     -3.394669      0.597639      0.135421
  C      -3.447648      0.736775      2.898509
  C      -3.439763      2.204979      2.897480
  O      -3.597087      2.942017      1.925916
  C      -3.129553      2.988401      4.186680
  O      -2.280597      2.683116      4.999769
  C      -3.538506      0.070177      4.119662
  C      -3.617739     -1.331005      4.246963
  C      -3.864996     -1.841288      5.540840
  O      -4.131367     -3.078889      5.794060
  C      -6.938056     -4.423088      3.795542
  C      -7.166122     -3.472845      4.825889
  C      -8.310163     -2.702371      4.864897
  Cl     -8.461651     -1.602990      6.201705
  C      -9.314306     -2.790479      3.855579
  C     -10.573576     -2.045322      3.856875
  O     -11.090075     -1.469482      4.817754
  C     -11.356112     -1.842096      2.548634
  O     -10.856121     -1.636491      1.460912
  C      -9.054640     -3.684538      2.808165
  C      -7.905676     -4.472963      2.732493
  C      -7.639274     -5.147176      1.456048
  O      -8.475680     -5.411721      0.599514
  C      -2.199350     -5.522429      6.969326
  C      -0.886621     -5.695274      7.472543
  C      -0.587493     -5.479179      8.807675
  Cl      1.082142     -5.591697      9.247092
  C      -1.585518     -5.124699      9.762313
  C      -1.326329     -4.948560     11.197847
  O      -0.349411     -5.381357     11.811585
  C      -2.295970     -4.115493     12.054656
  O      -3.115978     -3.316896     11.649412
  C      -2.895808     -5.025401      9.271714
  C      -3.227806     -5.212990      7.926292
  C      -4.614889     -5.343871      7.581463
  O      -5.079837     -5.470233      6.421910
  H      -3.454507     -2.013042      0.882987
  H      -3.653909      3.974602      4.203280
  H      -3.585026      0.655581      5.037456
  H      -3.889223     -1.155533      6.396412
  H      -6.451002     -3.388909      5.640332
  H     -12.451263     -1.725578      2.739983
  H      -9.752612     -3.754176      1.973733
  H      -6.558783     -5.354776      1.257437
  H      -0.069406     -5.926200      6.791681
  H      -2.084521     -4.265506     13.141812
  H      -3.708299     -4.831364      9.971058
  H      -5.329896     -5.396284      8.422814
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892565411950
  N      -3.410031     -3.513334      3.123396
  C      -3.202102     -4.226542      1.855002
  C      -2.618097     -5.590265      2.145610
  N      -3.435683     -6.294466      3.170735
  C      -4.653659     -6.907632      2.547304
  C      -5.859493     -6.613346      3.420345
  N      -5.826911     -5.209093      3.827748
  Mo     -4.015763     -4.692830      4.659604
  N      -2.491288     -5.666304      5.645103
  C      -1.669708     -6.586952      4.853309
  C      -2.609771     -7.299867      3.892182
  H      -1.186815     -7.337733      5.497449
  H      -0.868618     -6.054360      4.313485
  H      -3.297508     -7.937233      4.465643
  H      -2.056587     -7.933470      3.177216
  H      -6.790485     -6.880845      2.899680
  H      -5.824459     -7.236986      4.334055
  H      -4.795378     -6.448808      1.559956
  H      -4.499166     -7.987296      2.400193
  H      -2.491417     -3.690474      1.208083
  H      -4.158132     -4.305029      1.305779
  H      -1.604673     -5.460423      2.545238
  H      -2.548994     -6.200893      1.229930
  C      -3.480439     -2.140927      3.055560
  C      -3.426969     -1.451740      1.816205
  C      -3.396927     -0.072206      1.729883
  Cl     -3.330467      0.609423      0.136966
  C      -3.401971      0.744093      2.899771
  C      -3.380591      2.212116      2.901419
  O      -3.525190      2.952260      1.930214
  C      -3.071351      2.990449      4.193913
  O      -2.229916      2.676330      5.011427
  C      -3.507025      0.076258      4.119060
  C      -3.599486     -1.324446      4.243474
  C      -3.858329     -1.834473      5.535139
  O      -4.133685     -3.070701      5.785661
  C      -6.945409     -4.421733      3.792484
  C      -7.175028     -3.471553      4.822400
  C      -8.327384     -2.713818      4.868914
  Cl     -8.480486     -1.614150      6.205325
  C      -9.338982     -2.815394      3.868214
  C     -10.608910     -2.088852      3.881120
  O     -11.121778     -1.514381      4.844839
  C     -11.412947     -1.906768      2.583026
  O     -10.931807     -1.693507      1.488237
  C      -9.076038     -3.706004      2.818519
  C      -7.918490     -4.480672      2.734940
  C      -7.650520     -5.149989      1.456099
  O      -8.487810     -5.422908      0.603150
  C      -2.206342     -5.515458      6.965257
  C      -0.894831     -5.689747      7.471183
  C      -0.598127     -5.473527      8.806826
  Cl      1.070495     -5.587855      9.249662
  C      -1.597622     -5.117539      9.759373
  C      -1.341237     -4.941354     11.195416
  O      -0.366069     -5.374940     11.811322
  C      -2.311847     -4.107036     12.049943
  O      -3.129094     -3.306664     11.642658
  C      -2.906813     -5.016943      9.266156
  C      -3.236372     -5.204626      7.920118
  C      -4.622827     -5.334703      7.572697
  O      -5.085539     -5.461198      6.412220
  H      -3.422369     -2.001730      0.879179
  H      -3.587403      3.981063      4.209267
  H      -3.553945      0.660487      5.037589
  H      -3.883705     -1.149491      6.391297
  H      -6.454745     -3.377788      5.631180
  H     -12.507681     -1.812552      2.788478
  H      -9.778574     -3.783417      1.988642
  H      -6.568401     -5.344480      1.252447
  H      -0.076469     -5.921865      6.792099
  H      -2.103721     -4.257783     13.137640
  H      -3.720508     -4.821830      9.963808
  H      -5.339563     -5.386520      8.412604
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892622689355
  N      -3.403792     -3.506966      3.116925
  C      -3.195872     -4.220527      1.848648
  C      -2.615189     -5.585482      2.139988
  N      -3.435670     -6.287746      3.163976
  C      -4.653098     -6.899705      2.538555
  C      -5.858895     -6.606698      3.411532
  N      -5.828800     -5.201440      3.817041
  Mo     -4.018225     -4.685186      4.651048
  N      -2.496246     -5.659250      5.640243
  C      -1.673814     -6.580966      4.850630
  C      -2.612522     -7.293615      3.887936
  H      -1.192746     -7.331789      5.496080
  H      -0.871272     -6.049299      4.312029
  H      -3.302210     -7.929869      4.460284
  H      -2.058479     -7.928238      3.174542
  H      -6.789561     -6.876908      2.891805
  H      -5.822202     -7.229050      4.326088
  H      -4.794315     -6.438842      1.552081
  H      -4.498759     -7.979162      2.389586
  H      -2.482956     -3.686606      1.202571
  H      -4.151486     -4.296835      1.298429
  H      -1.601995     -5.457802      2.540882
  H      -2.546236     -6.196369      1.224474
  C      -3.462124     -2.133872      3.050818
  C      -3.394602     -1.442842      1.813088
  C      -3.350848     -0.063530      1.729417
  Cl     -3.264793      0.620310      0.138307
  C      -3.356778      0.750786      2.900671
  C      -3.322836      2.218615      2.905169
  O      -3.456722      2.961643      1.934641
  C      -3.013328      2.991660      4.200758
  O      -2.179632      2.667860      5.022384
  C      -3.476106      0.081821      4.117968
  C      -3.581465     -1.318308      4.239387
  C      -3.852324     -1.828005      5.528655
  O      -4.136627     -3.062860      5.776297
  C      -6.952628     -4.421477      3.788946
  C      -7.182777     -3.472095      4.819366
  C      -8.342926     -2.726861      4.875065
  Cl     -8.496141     -1.627778      6.211973
  C      -9.362464     -2.840705      3.883652
  C     -10.641930     -2.131639      3.909228
  O     -11.150347     -1.558821      4.876355
  C     -11.467316     -1.969572      2.622137
  O     -11.005776     -1.748457      1.520424
  C      -9.097607     -3.727373      2.830949
  C      -7.932111     -4.488706      2.737842
  C      -7.664355     -5.152367      1.455895
  O      -8.503547     -5.432720      0.607275
  C      -2.214267     -5.508241      6.960985
  C      -0.904138     -5.683653      7.470147
  C      -0.610395     -5.466958      8.806356
  Cl      1.057040     -5.582675      9.253299
  C      -1.611792     -5.109396      9.756323
  C      -1.358715     -4.932731     11.192922
  O      -0.385363     -5.366719     11.811356
  C      -2.330277     -4.096476     12.044501
  O      -3.144688     -3.294572     11.634579
  C      -2.919703     -5.007856      9.259997
  C      -3.246283     -5.195979      7.913266
  C      -4.631944     -5.325513      7.562691
  O      -5.091893     -5.452353      6.401116
  H      -3.388781     -1.990986      0.875012
  H      -3.519307      3.987489      4.214618
  H      -3.523936      0.664882      5.037205
  H      -3.879327     -1.143739      6.385328
  H      -6.456602     -3.369237      5.621834
  H     -12.560933     -1.897943      2.842100
  H      -9.805352     -3.811680      2.006192
  H      -6.581179     -5.334281      1.245749
  H      -0.084391     -5.916950      6.793142
  H      -2.125676     -4.247313     13.132854
  H      -3.734885     -4.811636      9.955600
  H      -5.350743     -5.376808      8.400851
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892666655883
  N      -3.398984     -3.500047      3.110800
  C      -3.191507     -4.213647      1.842380
  C      -2.613912     -5.579813      2.134014
  N      -3.436756     -6.280333      3.157105
  C      -4.653772     -6.891264      2.530197
  C      -5.859010     -6.600564      3.404095
  N      -5.831945     -5.194316      3.807641
  Mo     -4.021597     -4.677150      4.642838
  N      -2.501561     -5.651555      5.635003
  C      -1.678359     -6.574082      4.847191
  C      -2.615898     -7.286546      3.883175
  H      -1.198776     -7.324939      5.493705
  H      -0.874625     -6.043128      4.309633
  H      -3.307179     -7.921873      4.454632
  H      -2.061146     -7.922036      3.171112
  H      -6.789508     -6.873962      2.885857
  H      -5.819660     -7.221688      4.319422
  H      -4.795526     -6.427706      1.545048
  H      -4.499218     -7.970330      2.378528
  H      -2.476660     -3.681723      1.196973
  H      -4.146923     -4.287765      1.291556
  H      -1.600822     -5.454143      2.535796
  H      -2.545343     -6.190843      1.218570
  C      -3.444520     -2.126300      3.046963
  C      -3.362491     -1.433166      1.811188
  C      -3.304131     -0.054226      1.730707
  Cl     -3.197210      0.632034      0.141815
  C      -3.310768      0.757770      2.903536
  C      -3.263929      2.225315      2.911316
  O      -3.387600      2.971272      1.941727
  C      -2.951021      2.992485      4.209647
  O      -2.127539      2.655871      5.036380
  C      -3.444823      0.087481      4.118506
  C      -3.563725     -1.311938      4.236411
  C      -3.846669     -1.821418      5.523089
  O      -4.140235     -3.054822      5.767535
  C      -6.961245     -4.422134      3.786256
  C      -7.192302     -3.472103      4.815789
  C      -8.359890     -2.739093      4.879090
  Cl     -8.513952     -1.639015      6.215096
  C      -9.386637     -2.866484      3.896641
  C     -10.674827     -2.174078      3.932958
  O     -11.178433     -1.599650      4.901707
  C     -11.520165     -2.033971      2.656457
  O     -11.077708     -1.805552      1.548374
  C      -9.119805     -3.751082      2.842543
  C      -7.946767     -4.499539      2.741637
  C      -7.679123     -5.160545      1.458195
  O      -8.519880     -5.449521      0.614052
  C      -2.221925     -5.500258      6.956178
  C      -0.912874     -5.676515      7.467893
  C      -0.621406     -5.459282      8.804499
  Cl      1.045096     -5.576029      9.254631
  C      -1.624299     -5.100341      9.752382
  C      -1.373885     -4.922960     11.189361
  O      -0.402667     -5.358125     11.810254
  C      -2.347270     -4.086509     12.038677
  O      -3.159283     -3.283243     11.626714
  C      -2.931189     -4.998092      9.253638
  C      -3.255473     -5.186763      7.906417
  C      -4.640492     -5.315976      7.553391
  O      -5.098249     -5.443246      6.390972
  H      -3.355576     -1.979165      0.871902
  H      -3.448127      3.992757      4.225027
  H      -3.493428      0.669100      5.038611
  H      -3.875005     -1.138000      6.380378
  H      -6.460741     -3.359037      5.611943
  H     -12.611788     -1.980424      2.890923
  H      -9.832489     -3.843634      2.022941
  H      -6.595069     -5.331590      1.242622
  H      -0.092096     -5.910845      6.792496
  H      -2.145234     -4.237221     13.127517
  H      -3.747518     -4.800879      9.947635
  H      -5.360911     -5.366826      8.390177
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892697118048
  N      -3.394504     -3.493184      3.105004
  C      -3.187538     -4.206608      1.836285
  C      -2.613055     -5.574047      2.128004
  N      -3.438139     -6.272917      3.150218
  C      -4.654772     -6.882988      2.522063
  C      -5.859286     -6.594840      3.397208
  N      -5.835540     -5.187526      3.798358
  Mo     -4.025299     -4.669209      4.634793
  N      -2.507189     -5.643944      5.629778
  C      -1.683126     -6.567103      4.843675
  C      -2.619441     -7.279406      3.878324
  H      -1.204946     -7.318013      5.491169
  H      -0.878257     -6.036722      4.307214
  H      -3.312204     -7.913913      4.448902
  H      -2.063939     -7.915690      3.167560
  H      -6.789679     -6.871970      2.880918
  H      -5.816678     -7.214448      4.313461
  H      -4.797413     -6.416707      1.538304
  H      -4.499856     -7.961624      2.367613
  H      -2.470775     -3.676609      1.191605
  H      -4.142763     -4.278415      1.284889
  H      -1.600045     -5.450387      2.530601
  H      -2.544914     -6.185139      1.212570
  C      -3.427175     -2.118859      3.043707
  C      -3.330731     -1.423581      1.810081
  C      -3.257962     -0.045145      1.733059
  Cl     -3.130050      0.643524      0.146668
  C      -3.265321      0.764400      2.907523
  C      -3.206055      2.231608      2.918601
  O      -3.323299      2.980364      1.950394
  C      -2.890736      2.992985      4.219834
  O      -2.068816      2.649609      5.045269
  C      -3.414035      0.092773      4.119979
  C      -3.546284     -1.305845      4.234126
  C      -3.841226     -1.815152      5.518099
  O      -4.144032     -3.047059      5.759179
  C      -6.970105     -4.422994      3.783419
  C      -7.202121     -3.472737      4.812487
  C      -8.376752     -2.751752      4.883663
  Cl     -8.531726     -1.651504      6.219423
  C      -9.410415     -2.892148      3.910112
  C     -10.706532     -2.215595      3.956879
  O     -11.205317     -1.638783      4.926735
  C     -11.571008     -2.097419      2.691165
  O     -11.147567     -1.870297      1.575363
  C      -9.141809     -3.774317      2.854310
  C      -7.961486     -4.509865      2.745098
  C      -7.693993     -5.166557      1.459319
  O      -8.536254     -5.462688      0.619179
  C      -2.229892     -5.492458      6.951396
  C      -0.921894     -5.669519      7.465601
  C      -0.632670     -5.451834      8.802603
  Cl      1.032890     -5.569567      9.255916
  C      -1.637050     -5.091690      9.748461
  C      -1.389188     -4.913833     11.185836
  O      -0.419085     -5.348728     11.808590
  C      -2.362798     -4.074949     12.032536
  O      -3.174579     -3.272724     11.618115
  C      -2.942938     -4.988735      9.247357
  C      -3.264959     -5.177875      7.899644
  C      -4.649351     -5.306751      7.544198
  O      -5.104969     -5.434300      6.380946
  H      -3.322647     -1.967324      0.869531
  H      -3.369576      4.002177      4.229353
  H      -3.463678      0.672833      5.040994
  H      -3.870777     -1.132664      6.376073
  H      -6.465518     -3.350160      5.602522
  H     -12.660787     -2.069246      2.938355
  H      -9.859248     -3.874429      2.039742
  H      -6.609173     -5.324223      1.236924
  H      -0.100121     -5.904785      6.791738
  H      -2.166055     -4.227877     13.122034
  H      -3.760393     -4.790649      9.939787
  H      -5.371358     -5.357214      8.379629
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892729746891
  N      -3.388492     -3.487154      3.097892
  C      -3.180926     -4.200738      1.829229
  C      -2.609878     -5.569442      2.121756
  N      -3.438022     -6.266448      3.142564
  C      -4.653800     -6.875722      2.512350
  C      -5.858302     -6.589762      3.387744
  N      -5.837912     -5.181317      3.786330
  Mo     -4.028509     -4.661899      4.625175
  N      -2.513298     -5.636971      5.624354
  C      -1.687769     -6.560904      4.840767
  C      -2.622106     -7.273154      3.873464
  H      -1.211564     -7.311781      5.489754
  H      -0.881318     -6.031174      4.306016
  H      -3.316791     -7.906762      4.442704
  H      -2.065317     -7.910332      3.164517
  H      -6.788262     -6.870649      2.872859
  H      -5.813162     -7.207640      4.305058
  H      -4.796522     -6.406926      1.529789
  H      -4.498364     -7.953961      2.355463
  H      -2.461679     -3.672840      1.185778
  H      -4.135455     -4.270238      1.276433
  H      -1.597259     -5.447819      2.525949
  H      -2.541497     -6.180743      1.206479
  C      -3.408761     -2.112428      3.038808
  C      -3.297310     -1.415417      1.807323
  C      -3.210850     -0.037602      1.733583
  Cl     -3.061422      0.652903      0.149776
  C      -3.220320      0.769766      2.909462
  C      -3.149356      2.236471      2.923862
  O      -3.257696      2.987953      1.956806
  C      -2.831733      2.992018      4.228022
  O      -2.023091      2.634865      5.060642
  C      -3.384004      0.097196      4.119361
  C      -3.529027     -1.300524      4.229940
  C      -3.836494     -1.809369      5.511102
  O      -4.148232     -3.039736      5.748915
  C      -6.977546     -4.424202      3.778879
  C      -7.209884     -3.476004      4.809648
  C      -8.391265     -2.767176      4.891059
  Cl     -8.546102     -1.669679      6.229069
  C      -9.432131     -2.918276      3.926688
  C     -10.735623     -2.257260      3.986217
  O     -11.230213     -1.682508      4.959508
  C     -11.620515     -2.159957      2.732993
  O     -11.218076     -1.924314      1.611177
  C      -9.162551     -3.795753      2.867078
  C      -7.975195     -4.517974      2.747002
  C      -7.708810     -5.166355      1.456686
  O      -8.553369     -5.470370      0.621714
  C      -2.239242     -5.484880      6.946550
  C      -0.932677     -5.662590      7.464227
  C      -0.646644     -5.444009      8.801755
  Cl      1.017638     -5.562656      9.259463
  C      -1.653103     -5.082216      9.744771
  C      -1.408560     -4.903407     11.182622
  O      -0.439662     -5.337623     11.807705
  C      -2.381987     -4.060680     12.025783
  O      -3.187151     -3.253430     11.608243
  C      -2.957666     -4.978816      9.240347
  C      -3.276469     -5.168868      7.891983
  C      -4.660013     -5.297397      7.533216
  O      -5.112722     -5.425546      6.368891
  H      -3.287159     -1.957141      0.865659
  H      -3.303899      4.004352      4.240385
  H      -3.435557      0.675966      5.041124
  H      -3.867909     -1.127602      6.369576
  H      -6.467977     -3.345917      5.593587
  H     -12.706762     -2.149002      2.996512
  H      -9.885041     -3.901485      2.057724
  H      -6.623745     -5.310492      1.226438
  H      -0.109420     -5.899018      6.792587
  H      -2.183585     -4.207626     13.115795
  H      -3.776730     -4.779677      9.930537
  H      -5.384158     -5.347102      8.366839
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892731784267
  N      -3.384133     -3.479584      3.091047
  C      -3.176601     -4.193131      1.822212
  C      -2.608538     -5.563045      2.114919
  N      -3.438851     -6.258536      3.134765
  C      -4.653987     -6.867201      2.503102
  C      -5.858056     -6.584431      3.379639
  N      -5.841208     -5.175090      3.776322
  Mo     -4.032244     -4.653555      4.615949
  N      -2.518904     -5.628495      5.618148
  C      -1.692091     -6.552787      4.836383
  C      -2.624874     -7.265272      3.867748
  H      -1.217060     -7.303482      5.486440
  H      -0.884689     -6.023270      4.302828
  H      -3.320801     -7.898323      4.436086
  H      -2.067080     -7.903043      3.160133
  H      -6.787734     -6.868799      2.866144
  H      -5.809996     -7.201101      4.297626
  H      -4.797825     -6.395172      1.522258
  H      -4.497626     -7.944839      2.342822
  H      -2.455403     -3.667174      1.179561
  H      -4.130789     -4.260390      1.268678
  H      -1.596041     -5.443371      2.520004
  H      -2.540475     -6.174351      1.199626
  C      -3.391411     -2.104576      3.034770
  C      -3.264543     -1.405480      1.805853
  C      -3.163588     -0.028463      1.736102
  Cl     -2.991700      0.664158      0.155401
  C      -3.174910      0.776290      2.913689
  C      -3.091476      2.242338      2.932016
  O      -3.189332      2.996757      1.966194
  C      -2.768753      2.991079      4.238968
  O      -1.972395      2.619286      5.076938
  C      -3.353957      0.102487      4.120620
  C      -3.512369     -1.294190      4.226963
  C      -3.832202     -1.802819      5.505125
  O      -4.152804     -3.031629      5.739396
  C      -6.986186     -4.426053      3.776239
  C      -7.217778     -3.475471      4.804809
  C      -8.405227     -2.777652      4.893862
  Cl     -8.558395     -1.676411      6.228957
  C      -9.453679     -2.943214      3.939968
  C     -10.763769     -2.296667      4.010369
  O     -11.250933     -1.715046      4.983413
  C     -11.667984     -2.222555      2.769443
  O     -11.286194     -1.982589      1.641314
  C      -9.184650     -3.821631      2.880777
  C      -7.991240     -4.532243      2.752941
  C      -7.728590     -5.183442      1.463201
  O      -8.576477     -5.499762      0.636255
  C      -2.246996     -5.475543      6.940657
  C      -0.941330     -5.653164      7.460721
  C      -0.657431     -5.433396      8.798505
  Cl      1.006077     -5.551955      9.259017
  C      -1.665421     -5.070445      9.739476
  C      -1.423603     -4.889895     11.177520
  O      -0.457214     -5.325113     11.805710
  C      -2.400463     -4.048681     12.018249
  O      -3.212532     -3.249608     11.598390
  C      -2.969087     -4.967246      9.232817
  C      -3.285722     -5.158471      7.884116
  C      -4.668658     -5.287280      7.523220
  O      -5.119377     -5.416341      6.358238
  H      -3.252467     -1.944777      0.862849
  H      -3.230859      4.008038      4.253817
  H      -3.407175      0.679598      5.043359
  H      -3.865150     -1.122003      6.364290
  H      -6.469927     -3.334253      5.581189
  H     -12.750090     -2.222971      3.049640
  H      -9.913215     -3.937537      2.078333
  H      -6.643865     -5.321466      1.227025
  H      -0.117030     -5.890355      6.790639
  H      -2.215447     -4.206456     13.109113
  H      -3.789257     -4.767196      9.921482
  H      -5.394192     -5.336515      8.355665
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892743979920
  N      -3.380597     -3.471851      3.085010
  C      -3.173234     -4.184935      1.815744
  C      -2.608258     -5.556196      2.108122
  N      -3.440658     -6.250469      3.126879
  C      -4.655220     -6.858404      2.493773
  C      -5.858700     -6.579151      3.371727
  N      -5.845501     -5.168971      3.766626
  Mo     -4.036855     -4.645469      4.607128
  N      -2.525350     -5.620571      5.611969
  C      -1.697276     -6.544978      4.831721
  C      -2.628544     -7.257425      3.861593
  H      -1.223369     -7.295673      5.482601
  H      -0.888961     -6.015501      4.299480
  H      -3.325661     -7.890102      4.428883
  H      -2.069780     -7.895572      3.155089
  H      -6.788094     -6.867097      2.859760
  H      -5.807471     -7.194716      4.290305
  H      -4.800378     -6.382910      1.514783
  H      -4.497918     -7.935375      2.329819
  H      -2.450077     -3.660769      1.174029
  H      -4.127106     -4.249679      1.261499
  H      -1.595834     -5.438678      2.514017
  H      -2.540658     -6.167205      1.192601
  C      -3.374705     -2.096662      3.032084
  C      -3.232263     -1.395226      1.806100
  C      -3.116648     -0.019152      1.740926
  Cl     -2.922017      0.675857      0.163804
  C      -3.129708      0.782616      2.920470
  C      -3.033578      2.247917      2.943138
  O      -3.123133      3.005516      1.979029
  C      -2.707100      2.989590      4.253303
  O      -1.915666      2.607997      5.091449
  C      -3.324426      0.107342      4.124069
  C      -3.496315     -1.288184      4.225596
  C      -3.828597     -1.796878      5.500496
  O      -4.158088     -3.024134      5.730814
  C      -6.995745     -4.428036      3.773355
  C      -7.227281     -3.474831      4.799398
  C      -8.420644     -2.787969      4.895338
  Cl     -8.573033     -1.682842      6.227288
  C      -9.475920     -2.968275      3.951535
  C     -10.792306     -2.336113      4.031868
  O     -11.272517     -1.746308      5.003495
  C     -11.714334     -2.285331      2.802967
  O     -11.352086     -2.050409      1.667323
  C      -9.206800     -3.847765      2.893067
  C      -8.007470     -4.546835      2.758198
  C      -7.747822     -5.200995      1.469259
  O      -8.598207     -5.524913      0.647880
  C      -2.255539     -5.467125      6.934817
  C      -0.950775     -5.644850      7.457182
  C      -0.668975     -5.424291      8.795274
  Cl      0.993766     -5.542914      9.258516
  C      -1.678405     -5.060259      9.734318
  C      -1.438995     -4.878333     11.172583
  O      -0.476108     -5.316799     11.803868
  C      -2.420043     -4.040476     12.011797
  O      -3.223404     -3.233214     11.590922
  C      -2.981218     -4.957249      9.225505
  C      -3.295730     -5.149300      7.876425
  C      -4.678064     -5.278347      7.513423
  O      -5.126854     -5.407964      6.347767
  H      -3.218178     -1.931797      0.861600
  H      -3.151236      4.014564      4.264797
  H      -3.379425      0.682471      5.047932
  H      -3.863061     -1.117263      6.360545
  H      -6.474246     -3.322407      5.568577
  H     -12.792495     -2.305457      3.097339
  H      -9.940814     -3.973948      2.097166
  H      -6.663271     -5.328280      1.225612
  H      -0.125459     -5.882646      6.788573
  H      -2.228118     -4.189389     13.102698
  H      -3.802481     -4.756580      9.912709
  H      -5.404943     -5.327388      8.344710
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892749864093
  N      -3.379391     -3.473301      3.084535
  C      -3.171375     -4.186373      1.815357
  C      -2.606983     -5.557835      2.107963
  N      -3.439932     -6.251985      3.126407
  C      -4.654232     -6.860239      2.493062
  C      -5.857811     -6.580904      3.370851
  N      -5.845102     -5.170327      3.764452
  Mo     -4.036880     -4.646782      4.606186
  N      -2.526276     -5.621941      5.612124
  C      -1.697595     -6.546310      4.832474
  C      -2.628158     -7.258819      3.861711
  H      -1.224112     -7.296964      5.483717
  H      -0.888928     -6.016784      4.300820
  H      -3.325559     -7.891546      4.428593
  H      -2.068883     -7.896964      3.155607
  H      -6.787045     -6.870163      2.859610
  H      -5.805872     -7.195553      4.290006
  H      -4.799319     -6.385079      1.513847
  H      -4.496697     -7.937226      2.329532
  H      -2.447648     -3.662375      1.174134
  H      -4.124851     -4.250749      1.260453
  H      -1.594697     -5.440591      2.514269
  H      -2.539129     -6.168825      1.192443
  C      -3.373462     -2.098085      3.031621
  C      -3.230307     -1.396670      1.805720
  C      -3.115029     -0.020570      1.740553
  Cl     -2.919669      0.674461      0.163529
  C      -3.128992      0.781243      2.920033
  C      -3.033253      2.246598      2.942629
  O      -3.125961      3.004323      1.978937
  C      -2.708951      2.988619      4.253175
  O      -1.918720      2.607483      5.092647
  C      -3.324452      0.105999      4.123518
  C      -3.496019     -1.289567      4.225001
  C      -3.829053     -1.798214      5.499700
  O      -4.158516     -3.025486      5.729922
  C      -6.995127     -4.428851      3.771606
  C      -7.226723     -3.479159      4.800982
  C      -8.419924     -2.792499      4.899549
  Cl     -8.572293     -1.692861      6.236017
  C      -9.475179     -2.969207      3.955133
  C     -10.790959     -2.336120      4.036768
  O     -11.273420     -1.753020      5.011307
  C     -11.714520     -2.285467      2.809052
  O     -11.353725     -2.050796      1.672904
  C      -9.206064     -3.844589      2.893338
  C      -8.006573     -4.542747      2.755226
  C      -7.746439     -5.187357      1.461519
  O      -8.596906     -5.506346      0.638289
  C      -2.257284     -5.468197      6.935114
  C      -0.952852     -5.645800      7.458322
  C      -0.671907     -5.424779      8.796510
  Cl      0.990443     -5.543476      9.261109
  C      -1.681850     -5.060533      9.734859
  C      -1.442850     -4.878719     11.173239
  O      -0.475708     -5.310409     11.802709
  C      -2.417497     -4.030796     12.009871
  O      -3.220000     -3.224041     11.586342
  C      -2.984366     -4.957556      9.225219
  C      -3.298039     -5.150118      7.876009
  C      -4.680170     -5.279178      7.512208
  O      -5.128286     -5.408925      6.346333
  H      -3.215418     -1.933293      0.861256
  H      -3.154942      4.012797      4.264691
  H      -3.380443      0.681172      5.047285
  H      -3.864081     -1.118550      6.359687
  H      -6.474168     -3.330428      5.571277
  H     -12.792396     -2.309671      3.104253
  H      -9.939693     -3.966711      2.096391
  H      -6.661986     -5.306847      1.214126
  H      -0.127136     -5.883894      6.790302
  H      -2.225058     -4.175800     13.101208
  H      -3.806045     -4.756746      9.911823
  H      -5.407533     -5.327950      8.343092
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892751483253
  N      -3.380031     -3.473498      3.084798
  C      -3.171792     -4.186421      1.815571
  C      -2.607012     -5.557783      2.107932
  N      -3.439591     -6.252346      3.126408
  C      -4.653762     -6.860938      2.493119
  C      -5.857380     -6.582124      3.371069
  N      -5.844854     -5.171666      3.764959
  Mo     -4.036778     -4.647483      4.606401
  N      -2.525860     -5.622281      5.612062
  C      -1.696914     -6.546246      4.832195
  C      -2.627320     -7.258986      3.861448
  H      -1.223068     -7.296781      5.483312
  H      -0.888516     -6.016309      4.300542
  H      -3.324364     -7.892100      4.428338
  H      -2.067886     -7.896790      3.155166
  H      -6.786580     -6.871440      2.859751
  H      -5.805297     -7.196960      4.290074
  H      -4.799193     -6.385587      1.514050
  H      -4.495797     -7.937821      2.329314
  H      -2.448244     -3.662142      1.174365
  H      -4.125243     -4.250956      1.260659
  H      -1.594678     -5.440385      2.514082
  H      -2.539170     -6.168579      1.192283
  C      -3.375031     -2.098296      3.031994
  C      -3.232521     -1.396704      1.806133
  C      -3.118403     -0.020515      1.741034
  Cl     -2.923960      0.674731      0.164005
  C      -3.132848      0.781233      2.920547
  C      -3.038165      2.246642      2.943176
  O      -3.130943      3.004271      1.979411
  C      -2.712957      2.988659      4.253512
  O      -1.921735      2.607781      5.092158
  C      -3.327525      0.105765      4.124028
  C      -3.498022     -1.289931      4.225442
  C      -3.830355     -1.798894      5.500195
  O      -4.158836     -3.026397      5.730464
  C      -6.994560     -4.429694      3.771888
  C      -7.225356     -3.479257      4.800740
  C      -8.417685     -2.790997      4.898604
  Cl     -8.568908     -1.690267      6.234290
  C      -9.472856     -2.966856      3.953966
  C     -10.787514     -2.331331      4.034571
  O     -11.269108     -1.746219      5.008352
  C     -11.709625     -2.278460      2.805814
  O     -11.347161     -2.042221      1.670524
  C      -9.204861     -3.843773      2.893144
  C      -8.006260     -4.543604      2.755807
  C      -7.747445     -5.190655      1.463033
  O      -8.599001     -5.517655      0.644088
  C      -2.256514     -5.468219      6.934945
  C      -0.951854     -5.645174      7.457795
  C      -0.670592     -5.423795      8.795864
  Cl      0.991989     -5.541661      9.259859
  C      -1.680412     -5.059748      9.734448
  C      -1.441195     -4.877196     11.172681
  O      -0.475335     -5.310647     11.802912
  C      -2.418404     -4.032940     12.010017
  O      -3.223172     -3.228067     11.587217
  C      -2.983138     -4.957546      9.225178
  C      -3.297118     -5.150446      7.876102
  C      -4.679316     -5.280043      7.512725
  O      -5.127739     -5.410069      6.347029
  H      -3.217301     -1.933264      0.861635
  H      -3.157952      4.013277      4.264629
  H      -3.383856      0.680835      5.047847
  H      -3.865580     -1.119300      6.360234
  H      -6.472795     -3.331038      5.571143
  H     -12.787707     -2.295706      3.100740
  H      -9.938667     -3.965966      2.096398
  H      -6.663392     -5.320414      1.219087
  H      -0.126220     -5.883026      6.789590
  H      -2.227661     -4.180616     13.101297
  H      -3.804693     -4.756942      9.912007
  H      -5.406386     -5.328988      8.343865
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892750928047
  N      -3.380671     -3.472988      3.084732
  C      -3.172622     -4.185892      1.815452
  C      -2.607711     -5.557255      2.107561
  N      -3.439915     -6.251950      3.126232
  C      -4.654075     -6.860729      2.493148
  C      -5.857520     -6.582618      3.371569
  N      -5.845296     -5.172242      3.765655
  Mo     -4.037134     -4.647235      4.606322
  N      -2.525824     -5.621675      5.611624
  C      -1.696788     -6.545399      4.831554
  C      -2.627228     -7.258413      3.861048
  H      -1.222547     -7.295771      5.482570
  H      -0.888695     -6.015175      4.299721
  H      -3.323928     -7.891750      4.428110
  H      -2.067794     -7.896036      3.154608
  H      -6.786788     -6.872064      2.860332
  H      -5.805049     -7.197604      4.290434
  H      -4.800081     -6.384856      1.514429
  H      -4.495731     -7.937465      2.328699
  H      -2.449225     -3.661627      1.174076
  H      -4.126194     -4.250398      1.260755
  H      -1.595231     -5.439912      2.513376
  H      -2.540186     -6.167937      1.191818
  C      -3.375176     -2.097805      3.032197
  C      -3.232003     -1.395971      1.806548
  C      -3.117406     -0.019813      1.741793
  Cl     -2.921930      0.675678      0.164997
  C      -3.132116      0.781700      2.921456
  C      -3.037011      2.247055      2.944461
  O      -3.127760      3.004809      1.980617
  C      -2.709253      2.988275      4.254639
  O      -1.921249      2.604052      5.094783
  C      -3.327253      0.106029      4.124730
  C      -3.498219     -1.289640      4.225796
  C      -3.830800     -1.798750      5.500429
  O      -4.159270     -3.026271      5.730574
  C      -6.995237     -4.430676      3.772714
  C      -7.225511     -3.478379      4.799927
  C      -8.417697     -2.789712      4.896955
  Cl     -8.568053     -1.686196      6.230431
  C      -9.473329     -2.967265      3.953137
  C     -10.787758     -2.331191      4.033176
  O     -11.267158     -1.740964      5.004963
  C     -11.709306     -2.277882      2.803942
  O     -11.346089     -2.044685      1.668259
  C      -9.206120     -3.846735      2.894185
  C      -8.007841     -4.547346      2.757997
  C      -7.750743     -5.199776      1.467592
  O      -8.602896     -5.521832      0.647325
  C      -2.255950     -5.467169      6.934342
  C      -0.951013     -5.643535      7.456709
  C      -0.669257     -5.421692      8.794604
  Cl      0.993609     -5.538796      9.257784
  C      -1.678832     -5.057666      9.733493
  C      -1.439325     -4.874157     11.171526
  O      -0.475369     -5.310242     11.802841
  C      -2.420013     -4.034883     12.009773
  O      -3.227598     -3.232367     11.587888
  C      -2.981808     -4.956178      9.224734
  C      -3.296272     -5.149517      7.875850
  C      -4.678585     -5.279627      7.513077
  O      -5.127460     -5.410057      6.347627
  H      -3.216592     -1.932306      0.861926
  H      -3.155270      4.012432      4.268282
  H      -3.383646      0.680914      5.048678
  H      -3.866089     -1.119245      6.360540
  H      -6.472473     -3.328546      5.569573
  H     -12.787501     -2.293585      3.098542
  H      -9.940640     -3.971167      2.098476
  H      -6.666861     -5.325522      1.220697
  H      -0.125556     -5.881273      6.788248
  H      -2.231654     -4.186228     13.100967
  H      -3.803145     -4.755624      9.911871
  H      -5.405263     -5.328646      8.344565
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892754951403
  N      -3.380524     -3.472777      3.084916
  C      -3.172575     -4.185439      1.815479
  C      -2.608039     -5.557011      2.107309
  N      -3.440441     -6.251708      3.125814
  C      -4.654615     -6.860270      2.492585
  C      -5.857917     -6.582468      3.371245
  N      -5.845905     -5.172048      3.765179
  Mo     -4.037698     -4.647149      4.606091
  N      -2.526656     -5.621907      5.611438
  C      -1.697597     -6.545593      4.831354
  C      -2.627970     -7.258363      3.860608
  H      -1.223522     -7.296109      5.482327
  H      -0.889377     -6.015366      4.299716
  H      -3.324815     -7.891709      4.427482
  H      -2.068506     -7.895945      3.154155
  H      -6.787197     -6.872242      2.860269
  H      -5.805059     -7.197373      4.290151
  H      -4.800748     -6.384003      1.514067
  H      -4.496283     -7.936944      2.327732
  H      -2.448974     -3.661265      1.174265
  H      -4.126128     -4.249557      1.260704
  H      -1.595531     -5.440024      2.513149
  H      -2.540662     -6.167510      1.191432
  C      -3.374135     -2.097575      3.032800
  C      -3.230065     -1.395446      1.807424
  C      -3.114634     -0.019335      1.743119
  Cl     -2.917945      0.676503      0.166619
  C      -3.129316      0.781840      2.923014
  C      -3.033437      2.247166      2.946444
  O      -3.126036      3.005391      1.983145
  C      -2.707132      2.988017      4.257208
  O      -1.917605      2.604933      5.096426
  C      -3.325418      0.105924      4.125995
  C      -3.497178     -1.289691      4.226587
  C      -3.830531     -1.798968      5.500946
  O      -4.159631     -3.026411      5.730674
  C      -6.995997     -4.430716      3.772134
  C      -7.226717     -3.478560      4.799410
  C      -8.419189     -2.790402      4.896495
  Cl     -8.570073     -1.687344      6.230296
  C      -9.474723     -2.968269      3.952607
  C     -10.789390     -2.332698      4.032451
  O     -11.270071     -1.744235      5.004675
  C     -11.712388     -2.282912      2.804184
  O     -11.350886     -2.049384      1.668028
  C      -9.207043     -3.847447      2.893541
  C      -8.008424     -4.547438      2.757225
  C      -7.750791     -5.198813      1.466368
  O      -8.602740     -5.521421      0.646106
  C      -2.256930     -5.467567      6.934202
  C      -0.952085     -5.644156      7.456717
  C      -0.670504     -5.422470      8.794668
  Cl      0.992224     -5.539942      9.258245
  C      -1.680125     -5.058478      9.733484
  C      -1.440502     -4.875531     11.171589
  O      -0.474041     -5.308118     11.801496
  C      -2.417318     -4.030764     12.008870
  O      -3.221924     -3.225787     11.585966
  C      -2.983027     -4.956702      9.224568
  C      -3.297335     -5.149924      7.875623
  C      -4.679619     -5.279904      7.512679
  O      -5.128384     -5.410129      6.347168
  H      -3.214558     -1.931497      0.862646
  H      -3.150841      4.013192      4.269003
  H      -3.381935      0.680561      5.050076
  H      -3.865910     -1.119651      6.361200
  H      -6.473871     -3.328575      5.569176
  H     -12.790213     -2.299714      3.100077
  H      -9.941392     -3.971912      2.097666
  H      -6.666818     -5.323733      1.219405
  H      -0.126573     -5.881977      6.788352
  H      -2.225238     -4.176956     13.100114
  H      -3.804437     -4.756200      9.911599
  H      -5.406386     -5.328967      8.344087
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892752310972
  N      -3.380257     -3.472865      3.084743
  C      -3.172291     -4.185545      1.815313
  C      -2.608008     -5.557220      2.107131
  N      -3.440510     -6.251823      3.125632
  C      -4.654668     -6.860440      2.492446
  C      -5.857845     -6.582723      3.371302
  N      -5.846002     -5.172197      3.764815
  Mo     -4.037790     -4.647153      4.605802
  N      -2.526988     -5.621988      5.611314
  C      -1.697846     -6.545700      4.831357
  C      -2.628116     -7.258470      3.860527
  H      -1.223861     -7.296202      5.482414
  H      -0.889553     -6.015485      4.299815
  H      -3.325010     -7.891810      4.427347
  H      -2.068585     -7.896071      3.154145
  H      -6.787162     -6.872973      2.860735
  H      -5.804531     -7.197334      4.290376
  H      -4.800975     -6.384098      1.513981
  H      -4.496246     -7.937087      2.327522
  H      -2.448532     -3.661500      1.174167
  H      -4.125791     -4.249462      1.260433
  H      -1.595471     -5.440431      2.512949
  H      -2.540752     -6.167690      1.191224
  C      -3.373694     -2.097660      3.032627
  C      -3.229361     -1.395543      1.807273
  C      -3.113918     -0.019429      1.742977
  Cl     -2.916960      0.676446      0.166521
  C      -3.128777      0.781750      2.922858
  C      -3.032966      2.247091      2.946246
  O      -3.125828      3.005252      1.982936
  C      -2.705776      2.987891      4.256846
  O      -1.917609      2.603709      5.096837
  C      -3.325049      0.105849      4.125814
  C      -3.496875     -1.289763      4.226391
  C      -3.830431     -1.799004      5.500710
  O      -4.159605     -3.026428      5.730455
  C      -6.996032     -4.430736      3.771809
  C      -7.226786     -3.479499      4.799955
  C      -8.419239     -2.791439      4.897779
  Cl     -8.570195     -1.689974      6.232881
  C      -9.474809     -2.968426      3.953781
  C     -10.789330     -2.332644      4.033954
  O     -11.270110     -1.744859      5.006520
  C     -11.712220     -2.281787      2.805623
  O     -11.350341     -2.052799      1.668668
  C      -9.207104     -3.846479      2.893818
  C      -8.008401     -4.546155      2.756581
  C      -7.750665     -5.194773      1.464326
  O      -8.602878     -5.520229      0.645461
  C      -2.257285     -5.467438      6.934057
  C      -0.952450     -5.643939      7.456621
  C      -0.670896     -5.422028      8.794541
  Cl      0.991824     -5.539433      9.258165
  C      -1.680534     -5.057876      9.733281
  C      -1.440931     -4.874617     11.171351
  O      -0.474579     -5.307220     11.801411
  C      -2.417916     -4.029900     12.008488
  O      -3.222760     -3.225226     11.585459
  C      -2.983432     -4.956217      9.224326
  C      -3.297709     -5.149661      7.875411
  C      -4.680004     -5.279646      7.512463
  O      -5.128792     -5.409982      6.346991
  H      -3.213676     -1.931604      0.862503
  H      -3.150540      4.012602      4.269748
  H      -3.381719      0.680493      5.049878
  H      -3.865895     -1.119655      6.360936
  H      -6.474083     -3.330503      5.570047
  H     -12.790255     -2.304045      3.100459
  H      -9.941337     -3.969846      2.097650
  H      -6.666794     -5.321213      1.217848
  H      -0.126922     -5.881890      6.788318
  H      -2.225937     -4.176030     13.099759
  H      -3.804854     -4.755611      9.911314
  H      -5.406754     -5.328576      8.343901
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892756127323
  N      -3.380303     -3.472974      3.084639
  C      -3.172188     -4.185678      1.815243
  C      -2.607751     -5.557286      2.107087
  N      -3.440173     -6.251972      3.125596
  C      -4.654210     -6.860789      2.492382
  C      -5.857433     -6.583332      3.371270
  N      -5.845832     -5.172806      3.764780
  Mo     -4.037730     -4.647339      4.605687
  N      -2.526842     -5.621908      5.611269
  C      -1.697515     -6.545507      4.831371
  C      -2.627634     -7.258469      3.860540
  H      -1.223422     -7.295896      5.482479
  H      -0.889300     -6.015161      4.299843
  H      -3.324426     -7.891921      4.427360
  H      -2.067974     -7.895989      3.154188
  H      -6.786715     -6.873766      2.860726
  H      -5.803971     -7.197922      4.290342
  H      -4.800640     -6.384355      1.513982
  H      -4.495558     -7.937386      2.327336
  H      -2.448468     -3.661575      1.174101
  H      -4.125658     -4.249707      1.260329
  H      -1.595217     -5.440403      2.512890
  H      -2.540448     -6.167744      1.191176
  C      -3.373889     -2.097775      3.032518
  C      -3.229516     -1.395644      1.807181
  C      -3.114276     -0.019517      1.742888
  Cl     -2.917241      0.676361      0.166446
  C      -3.129371      0.781676      2.922755
  C      -3.033786      2.247033      2.946106
  O      -3.126493      3.005106      1.982708
  C      -2.706124      2.987819      4.256602
  O      -1.916866      2.604057      5.095752
  C      -3.325623      0.105753      4.125700
  C      -3.497280     -1.289882      4.226266
  C      -3.830840     -1.799150      5.500573
  O      -4.159815     -3.026619      5.730338
  C      -6.995921     -4.431454      3.771892
  C      -7.226532     -3.480152      4.799998
  C      -8.418946     -2.792043      4.897935
  Cl     -8.569655     -1.690427      6.232937
  C      -9.474634     -2.969035      3.954079
  C     -10.789056     -2.333050      4.034390
  O     -11.269381     -1.744742      5.006887
  C     -11.711809     -2.281581      2.805971
  O     -11.349968     -2.048164      1.669907
  C      -9.207150     -3.847309      2.894227
  C      -8.008520     -4.547101      2.756931
  C      -7.751234     -5.196226      1.464840
  O      -8.603639     -5.520058      0.645536
  C      -2.257098     -5.467118      6.933976
  C      -0.952202     -5.643281      7.456502
  C      -0.670620     -5.421125      8.794379
  Cl      0.992170     -5.538099      9.257865
  C      -1.680293     -5.057013      9.733113
  C      -1.440756     -4.873308     11.171126
  O      -0.475314     -5.307049     11.801795
  C      -2.419395     -4.030795     12.008542
  O      -3.225515     -3.227238     11.585826
  C      -2.983240     -4.955746      9.224207
  C      -3.297540     -5.149421      7.875335
  C      -4.679833     -5.279696      7.512470
  O      -5.128663     -5.410253      6.347051
  H      -3.213646     -1.931704      0.862413
  H      -3.149236      4.013254      4.268574
  H      -3.382458      0.680390      5.049760
  H      -3.866457     -1.119784      6.360779
  H      -6.473704     -3.331101      5.569977
  H     -12.789694     -2.298356      3.101673
  H      -9.941544     -3.970859      2.098254
  H      -6.667430     -5.321015      1.217274
  H      -0.126652     -5.881152      6.788200
  H      -2.228701     -4.178635     13.099811
  H      -3.804668     -4.755192      9.911215
  H      -5.406518     -5.328665      8.343967
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670585-ewyO/orca E -7642.892755572380
  N      -3.380876     -3.472569      3.085110
  C      -3.172917     -4.185006      1.815534
  C      -2.608489     -5.556703      2.106977
  N      -3.440795     -6.251589      3.125433
  C      -4.654894     -6.860204      2.492158
  C      -5.858016     -6.583221      3.371328
  N      -5.846447     -5.172877      3.765400
  Mo     -4.038198     -4.647279      4.605938
  N      -2.527129     -5.621984      5.611065
  C      -1.697912     -6.545444      4.830878
  C      -2.628170     -7.258242      3.860061
  H      -1.223707     -7.295931      5.481790
  H      -0.889790     -6.014985      4.299319
  H      -3.324871     -7.891817      4.426855
  H      -2.068609     -7.895611      3.153496
  H      -6.787362     -6.873391      2.860663
  H      -5.804483     -7.198208      4.290129
  H      -4.801538     -6.383226      1.514066
  H      -4.496192     -7.936703      2.326493
  H      -2.449245     -3.660812      1.174418
  H      -4.126458     -4.248869      1.260721
  H      -1.595876     -5.439997      2.512637
  H      -2.541387     -6.166931      1.190899
  C      -3.374107     -2.097360      3.033391
  C      -3.229450     -1.394892      1.808282
  C      -3.113828     -0.018781      1.744413
  Cl     -2.916313      0.677485      0.168202
  C      -3.128820      0.782062      2.924523
  C      -3.032848      2.247386      2.948367
  O      -3.125892      3.005860      1.985325
  C      -2.705131      2.987604      4.259178
  O      -1.916898      2.602856      5.098832
  C      -3.325310      0.105831      4.127246
  C      -3.497335     -1.289795      4.227384
  C      -3.831000     -1.799351      5.501546
  O      -4.160112     -3.026837      5.731014
  C      -6.996543     -4.431613      3.772184
  C      -7.226895     -3.478599      4.798753
  C      -8.419081     -2.789893      4.895444
  Cl     -8.569360     -1.685773      6.228431
  C      -9.474787     -2.968107      3.951807
  C     -10.788979     -2.331515      4.030972
  O     -11.268907     -1.740857      5.002242
  C     -11.711863     -2.282136      2.802557
  O     -11.350116     -2.051131      1.665967
  C      -9.207688     -3.848597      2.893674
  C      -8.009392     -4.549240      2.757843
  C      -7.752824     -5.202684      1.467798
  O      -8.605469     -5.526832      0.648875
  C      -2.257070     -5.467271      6.933717
  C      -0.952043     -5.643392      7.455929
  C      -0.670183     -5.421325      8.793760
  Cl      0.992701     -5.538268      9.256919
  C      -1.679646     -5.057374      9.732766
  C      -1.439687     -4.873887     11.170743
  O      -0.473092     -5.306232     11.800612
  C      -2.416749     -4.029463     12.008091
  O      -3.222258     -3.225360     11.585244
  C      -2.982723     -4.956149      9.224168
  C      -3.297312     -5.149752      7.875354
  C      -4.679682     -5.280148      7.512813
  O      -5.128791     -5.410620      6.347503
  H      -3.213616     -1.930661      0.863351
  H      -3.148470      4.012938      4.271831
  H      -3.382029      0.680205      5.051485
  H      -3.866533     -1.120201      6.361928
  H      -6.473910     -3.328234      5.568326
  H     -12.789712     -2.298226      3.098429
  H      -9.942317     -3.973786      2.098181
  H      -6.669082     -5.329280      1.220660
  H      -0.126623     -5.881169      6.787434
  H      -2.224690     -4.175758     13.099328
  H      -3.804012     -4.755753      9.911374
  H      -5.406141     -5.329293      8.344501
