74
Coordinates from ORCA-job orca E -7298.501383528774
  N      -3.299990     -4.104629      1.780195
  C      -3.805971     -4.923889      0.696654
  C      -4.047198     -6.320856      1.264270
  N      -3.179782     -6.455892      2.441457
  C      -3.472423     -7.712695      3.169925
  C      -4.047856     -7.352752      4.542140
  N      -4.658109     -6.052812      4.369625
  Mo     -3.595202     -4.570232      3.642811
  N      -1.859007     -5.276228      4.195996
  C      -0.974374     -6.036384      3.330942
  C      -1.752913     -6.408094      2.069950
  H      -0.641960     -6.934242      3.864955
  H      -0.094407     -5.434414      3.076987
  H      -1.427249     -7.377057      1.678720
  H      -1.577574     -5.661649      1.293727
  H      -4.771792     -8.105491      4.856570
  H      -3.265696     -7.289772      5.311740
  H      -4.208491     -8.291244      2.606606
  H      -2.573189     -8.318592      3.282136
  H      -3.094947     -4.962130     -0.134012
  H      -4.733514     -4.471227      0.325605
  H      -3.813416     -7.090374      0.519731
  H      -5.088489     -6.437036      1.586035
  C      -2.684486     -2.951328      1.427320
  C      -2.383500     -2.492724      0.129391
  C      -1.766638     -1.277312     -0.038991
  C      -1.465885     -0.462349      1.058583
  C      -1.749645     -0.882868      2.334449
  C      -2.315720     -2.152338      2.541662
  N      -2.714241     -2.643529      3.748529
  C      -2.208023     -2.084639      4.856416
  C      -0.859435     -1.720137      5.069671
  O      -0.379068     -1.064248      5.960904
  Cl      0.283872     -2.552045      3.950826
  C      -5.918643     -5.829973      4.810057
  C      -6.736010     -6.674983      5.579240
  C      -8.020413     -6.287734      5.882295
  C      -8.534345     -5.074283      5.419524
  C      -7.746495     -4.216940      4.685565
  C      -6.420284     -4.567983      4.397857
  N      -5.522678     -3.818240      3.666224
  C      -5.802201     -2.512325      3.541144
  C      -5.398691     -1.741090      2.431255
  O      -5.007640     -2.090636      1.348001
  Cl     -5.633406      0.024200      2.736555
  C      -1.441755     -5.112685      5.469058
  C      -0.170902     -5.439020      5.985639
  C       0.128735     -5.152284      7.292352
  C      -0.802601     -4.508061      8.120244
  C      -2.051452     -4.198174      7.652830
  C      -2.415018     -4.538626      6.334732
  N      -3.605301     -4.253288      5.746051
  C      -4.668710     -3.915364      6.484581
  C      -4.999503     -4.499897      7.734761
  O      -4.572023     -5.461593      8.310211
  Cl     -6.441770     -3.651290      8.442770
  H      -2.655799     -3.064241     -0.741288
  H      -1.539946     -0.926673     -1.033690
  H      -1.029768      0.511791      0.900591
  H      -1.571633     -0.234903      3.180755
  H      -2.861130     -1.933994      5.717978
  H      -6.367494     -7.617258      5.949393
  H      -8.644805     -6.936482      6.476619
  H      -9.556260     -4.807456      5.637750
  H      -8.161533     -3.296931      4.305485
  H      -6.442411     -2.024602      4.268364
  H       0.584869     -5.871797      5.352651
  H       1.106249     -5.389709      7.682103
  H      -0.523285     -4.234590      9.125438
  H      -2.748483     -3.655222      8.269629
  H      -5.370178     -3.204046      6.080453
  N      -5.018756     -5.389362      2.286559
  H      -5.043970     -5.230335      1.273272
  H      -5.796739     -6.010557      2.534624
74
Coordinates from ORCA-job orca E -7298.567702598899
  N      -3.277548     -4.095750      1.745060
  C      -3.774508     -4.911667      0.646100
  C      -4.027915     -6.339768      1.223695
  N      -3.162390     -6.475404      2.423646
  C      -3.459908     -7.732034      3.170547
  C      -4.041749     -7.362201      4.550054
  N      -4.669162     -6.062301      4.384246
  Mo     -3.596848     -4.571728      3.630775
  N      -1.849571     -5.289860      4.194559
  C      -0.961677     -6.055948      3.326970
  C      -1.728955     -6.429455      2.059379
  H      -0.633534     -6.955840      3.863822
  H      -0.077367     -5.455661      3.076291
  H      -1.398925     -7.401273      1.673433
  H      -1.550260     -5.685543      1.280449
  H      -4.761782     -8.118010      4.873026
  H      -3.252061     -7.294743      5.312860
  H      -4.193255     -8.319876      2.608763
  H      -2.555906     -8.334112      3.289736
  H      -3.050365     -4.952836     -0.176677
  H      -4.692317     -4.444709      0.254248
  H      -3.781370     -7.119084      0.478550
  H      -5.102793     -6.467653      1.538552
  C      -2.647909     -2.940876      1.397046
  C      -2.332553     -2.488850      0.098629
  C      -1.709091     -1.272295     -0.067892
  C      -1.417119     -0.452572      1.034148
  C      -1.716010     -0.870842      2.310520
  C      -2.289266     -2.141376      2.514988
  N      -2.698569     -2.635061      3.728176
  C      -2.187958     -2.077561      4.845216
  C      -0.833080     -1.711910      5.083508
  O      -0.383110     -1.056741      5.994471
  Cl      0.356744     -2.530576      3.985306
  C      -5.929110     -5.833529      4.836145
  C      -6.738009     -6.680254      5.617378
  C      -8.024599     -6.293491      5.934887
  C      -8.546257     -5.078870      5.474330
  C      -7.763444     -4.219295      4.727379
  C      -6.438877     -4.568729      4.426652
  N      -5.548591     -3.801665      3.674742
  C      -5.871127     -2.493978      3.558509
  C      -5.535642     -1.690051      2.444353
  O      -5.178348     -2.013463      1.334955
  Cl     -5.830485      0.063533      2.787251
  C      -1.437590     -5.124646      5.476413
  C      -0.166981     -5.457002      5.996044
  C       0.131604     -5.169671      7.307187
  C      -0.802100     -4.519228      8.135257
  C      -2.052227     -4.204090      7.663676
  C      -2.414860     -4.544646      6.342502
  N      -3.612709     -4.251354      5.748465
  C      -4.684434     -3.905378      6.480468
  C      -5.034410     -4.490005      7.734499
  O      -4.611645     -5.458520      8.312537
  Cl     -6.482119     -3.628964      8.427713
  H      -2.600239     -3.065646     -0.775743
  H      -1.471049     -0.924389     -1.065735
  H      -0.975234      0.523931      0.878168
  H      -1.543557     -0.219634      3.159483
  H      -2.848263     -1.929251      5.700837
  H      -6.361061     -7.624702      5.986472
  H      -8.643452     -6.944971      6.539878
  H      -9.570024     -4.811103      5.703846
  H      -8.184165     -3.296327      4.348498
  H      -6.512311     -2.036519      4.307365
  H       0.591092     -5.894672      5.361491
  H       1.111709     -5.411309      7.700070
  H      -0.523036     -4.244460      9.144827
  H      -2.750159     -3.655943      8.281649
  H      -5.380051     -3.189586      6.067315
  N      -5.049382     -5.374424      2.263934
  H      -5.069479     -5.204745      1.234114
  H      -5.839788     -5.986681      2.519144
74
Coordinates from ORCA-job orca E -7298.616626436519
  N      -3.266410     -4.082539      1.711578
  C      -3.754925     -4.900545      0.604329
  C      -4.011813     -6.357372      1.188650
  N      -3.150107     -6.491386      2.407221
  C      -3.450616     -7.747278      3.170650
  C      -4.039268     -7.373982      4.556821
  N      -4.686065     -6.077536      4.401474
  Mo     -3.605613     -4.573479      3.622589
  N      -1.842834     -5.301589      4.196031
  C      -0.953124     -6.069636      3.323558
  C      -1.711577     -6.443326      2.050216
  H      -0.626524     -6.971595      3.860875
  H      -0.066179     -5.469225      3.075543
  H      -1.376064     -7.416549      1.667892
  H      -1.533376     -5.700280      1.269360
  H      -4.753543     -8.135680      4.884950
  H      -3.242721     -7.302677      5.312842
  H      -4.179683     -8.343528      2.608846
  H      -2.540953     -8.343199      3.295331
  H      -3.020856     -4.944002     -0.211549
  H      -4.665310     -4.425377      0.195135
  H      -3.751745     -7.143507      0.446153
  H      -5.111675     -6.501027      1.495870
  C      -2.629767     -2.923205      1.370985
  C      -2.307142     -2.471490      0.073425
  C      -1.682818     -1.250324     -0.088037
  C      -1.398960     -0.429632      1.020182
  C      -1.706839     -0.851525      2.296187
  C      -2.281097     -2.125064      2.493783
  N      -2.695284     -2.624758      3.711569
  C      -2.180757     -2.069949      4.834859
  C      -0.821871     -1.699526      5.086381
  O      -0.396958     -1.046478      6.012334
  Cl      0.398088     -2.497804      3.989877
  C      -5.945864     -5.840107      4.860029
  C      -6.748775     -6.687638      5.650203
  C      -8.037607     -6.301022      5.977749
  C      -8.565384     -5.085534      5.518248
  C      -7.786332     -4.223590      4.760946
  C      -6.463683     -4.571501      4.451249
  N      -5.574443     -3.790036      3.683842
  C      -5.901402     -2.480960      3.565988
  C      -5.555586     -1.689835      2.440284
  O      -5.186520     -2.038254      1.336238
  Cl     -5.844335      0.072749      2.760307
  C      -1.436931     -5.134239      5.484868
  C      -0.165913     -5.470502      6.005314
  C       0.132731     -5.182896      7.320154
  C      -0.802839     -4.528947      8.149430
  C      -2.055009     -4.210725      7.675330
  C      -2.416684     -4.550905      6.352547
  N      -3.622751     -4.250421      5.758073
  C      -4.695610     -3.898742      6.489141
  C      -5.053136     -4.485846      7.748639
  O      -4.627452     -5.459662      8.321983
  Cl     -6.500190     -3.615772      8.440091
  H      -2.570236     -3.050616     -0.805242
  H      -1.438549     -0.900447     -1.087519
  H      -0.956134      0.550804      0.868633
  H      -1.540033     -0.200170      3.149522
  H      -2.843568     -1.929323      5.689100
  H      -6.364851     -7.633482      6.018867
  H      -8.652111     -6.954713      6.590930
  H      -9.590648     -4.816974      5.756041
  H      -8.211714     -3.298650      4.383034
  H      -6.546080     -2.020858      4.312444
  H       0.593470     -5.910943      5.368219
  H       1.115603     -5.427011      7.714252
  H      -0.523677     -4.253204      9.162369
  H      -2.753973     -3.659650      8.295215
  H      -5.388101     -3.178804      6.073709
  N      -5.087638     -5.356969      2.248547
  H      -5.106321     -5.178521      1.212048
  H      -5.885832     -5.958858      2.512423
74
Coordinates from ORCA-job orca E -7298.654710099424
  N      -3.250126     -4.072246      1.680039
  C      -3.729082     -4.895449      0.570726
  C      -3.989902     -6.372242      1.157180
  N      -3.138964     -6.502938      2.389440
  C      -3.444715     -7.754850      3.167423
  C      -4.038750     -7.380418      4.557363
  N      -4.700831     -6.089525      4.413974
  Mo     -3.613858     -4.573966      3.611535
  N      -1.837814     -5.310707      4.196304
  C      -0.946776     -6.079148      3.321422
  C      -1.696774     -6.452342      2.042558
  H      -0.621848     -6.982653      3.859085
  H      -0.057313     -5.479112      3.076795
  H      -1.356232     -7.426524      1.664058
  H      -1.519083     -5.709877      1.260428
  H      -4.747508     -8.147819      4.888918
  H      -3.236087     -7.307052      5.306925
  H      -4.168864     -8.357291      2.604156
  H      -2.531033     -8.345228      3.298333
  H      -2.984760     -4.945060     -0.236383
  H      -4.629853     -4.414340      0.143607
  H      -3.716062     -7.162974      0.421355
  H      -5.104161     -6.530715      1.453409
  C      -2.605006     -2.913237      1.348572
  C      -2.269839     -2.463980      0.053000
  C      -1.643289     -1.240853     -0.102313
  C      -1.370352     -0.418652      1.010429
  C      -1.691273     -0.840774      2.284702
  C      -2.268349     -2.114757      2.475246
  N      -2.689406     -2.617077      3.693613
  C      -2.173057     -2.068910      4.821678
  C      -0.811564     -1.700548      5.084722
  O      -0.405470     -1.054058      6.023144
  Cl      0.426851     -2.486854      3.987919
  C      -5.956210     -5.843901      4.879212
  C      -6.751491     -6.692630      5.677136
  C      -8.040073     -6.307180      6.017377
  C      -8.573717     -5.091260      5.563178
  C      -7.800222     -4.227157      4.797065
  C      -6.481595     -4.573359      4.476312
  N      -5.600686     -3.777723      3.695145
  C      -5.944248     -2.472693      3.582087
  C      -5.616312     -1.681347      2.447269
  O      -5.258214     -2.038463      1.341315
  Cl     -5.921678      0.080736      2.762281
  C      -1.440711     -5.140956      5.489409
  C      -0.170603     -5.480816      6.011743
  C       0.127233     -5.192482      7.328657
  C      -0.809087     -4.535011      8.156934
  C      -2.061625     -4.213964      7.679744
  C      -2.421578     -4.554229      6.356750
  N      -3.632558     -4.246330      5.763287
  C      -4.703800     -3.887823      6.491790
  C      -5.068727     -4.476057      7.754991
  O      -4.642283     -5.453048      8.323027
  Cl     -6.512771     -3.596117      8.444025
  H      -2.525717     -3.045264     -0.828854
  H      -1.389292     -0.891139     -1.101637
  H      -0.925286      0.563491      0.863083
  H      -1.531745     -0.188838      3.140892
  H      -2.837880     -1.934985      5.674853
  H      -6.360364     -7.639340      6.042049
  H      -8.648352     -6.963355      6.637592
  H      -9.598439     -4.822130      5.811184
  H      -8.229782     -3.300216      4.423145
  H      -6.591085     -2.022690      4.334030
  H       0.589250     -5.923986      5.373721
  H       1.111284     -5.438651      7.724093
  H      -0.530646     -4.257872      9.171774
  H      -2.760712     -3.659879      8.299988
  H      -5.392208     -3.163891      6.074145
  N      -5.121386     -5.333366      2.234405
  H      -5.138733     -5.149766      1.200869
  H      -5.925297     -5.921983      2.505730
74
Coordinates from ORCA-job orca E -7298.685784763899
  N      -3.237489     -4.064198      1.654036
  C      -3.706182     -4.894705      0.545570
  C      -3.967597     -6.384651      1.131082
  N      -3.130459     -6.511201      2.372849
  C      -3.441482     -7.757907      3.162997
  C      -4.039621     -7.384699      4.554890
  N      -4.713897     -6.099928      4.423869
  Mo     -3.624151     -4.574759      3.600924
  N      -1.836821     -5.317455      4.195627
  C      -0.943881     -6.084554      3.320350
  C      -1.685647     -6.456825      2.037045
  H      -0.619761     -6.989088      3.858129
  H      -0.052449     -5.484610      3.079366
  H      -1.340249     -7.431375      1.661699
  H      -1.508587     -5.714364      1.254595
  H      -4.742548     -8.158339      4.887807
  H      -3.231995     -7.310388      5.299214
  H      -4.160415     -8.365050      2.597177
  H      -2.524755     -8.343393      3.299904
  H      -2.952559     -4.951431     -0.253089
  H      -4.597958     -4.411389      0.101781
  H      -3.679620     -7.177784      0.402808
  H      -5.086294     -6.557623      1.416207
  C      -2.587316     -2.906785      1.331394
  C      -2.241385     -2.459091      0.037629
  C      -1.615470     -1.233848     -0.112083
  C      -1.353868     -0.409831      1.003679
  C      -1.685511     -0.831714      2.276007
  C      -2.262810     -2.106597      2.460798
  N      -2.687822     -2.611219      3.678009
  C      -2.170430     -2.070514      4.809619
  C      -0.807691     -1.703111      5.081429
  O      -0.415655     -1.064115      6.030029
  Cl      0.444103     -2.475454      3.980443
  C      -5.964218     -5.847186      4.894464
  C      -6.752900     -6.697616      5.698381
  C      -8.040315     -6.314488      6.050013
  C      -8.579729     -5.098503      5.602083
  C      -7.812448     -4.231991      4.829543
  C      -6.496839     -4.575267      4.498554
  N      -5.624250     -3.767811      3.707586
  C      -5.973546     -2.466678      3.596583
  C      -5.641369     -1.680542      2.455319
  O      -5.277568     -2.051021      1.356431
  Cl     -5.948237      0.084010      2.757899
  C      -1.447972     -5.145679      5.490965
  C      -0.178425     -5.488417      6.014634
  C       0.119602     -5.199540      7.332329
  C      -0.816229     -4.539363      8.159811
  C      -2.068786     -4.216231      7.680761
  C      -2.428278     -4.556553      6.358166
  N      -3.642473     -4.242207      5.767434
  C      -4.710733     -3.877317      6.494093
  C      -5.081494     -4.466337      7.760064
  O      -4.655135     -5.445399      8.323238
  Cl     -6.520918     -3.576844      8.448110
  H      -2.489473     -3.042672     -0.846410
  H      -1.353445     -0.884167     -1.110691
  H      -0.908744      0.574014      0.859566
  H      -1.533554     -0.178832      3.134005
  H      -2.835943     -1.945043      5.663115
  H      -6.355217     -7.644719      6.058767
  H      -8.642246     -6.973525      6.675489
  H      -9.603447     -4.829750      5.859421
  H      -8.246601     -3.303928      4.460699
  H      -6.625402     -2.019886      4.346726
  H       0.581058     -5.933603      5.375645
  H       1.104585     -5.447132      7.727919
  H      -0.537917     -4.260800      9.175539
  H      -2.767076     -3.659706      8.301540
  H      -5.395435     -3.149708      6.075531
  N      -5.154396     -5.307019      2.226896
  H      -5.172513     -5.120191      1.201520
  H      -5.962199     -5.882203      2.505627
74
Coordinates from ORCA-job orca E -7298.712153604272
  N      -3.225473     -4.059457      1.631993
  C      -3.683176     -4.898737      0.526103
  C      -3.943931     -6.394371      1.108197
  N      -3.123470     -6.516453      2.356710
  C      -3.440265     -7.757254      3.156567
  C      -4.041354     -7.387063      4.548927
  N      -4.724649     -6.108264      4.430236
  Mo     -3.635290     -4.575793      3.589339
  N      -1.838925     -5.322199      4.193552
  C      -0.943038     -6.086965      3.320268
  C      -1.676586     -6.457800      2.033234
  H      -0.619452     -6.992081      3.858284
  H      -0.049828     -5.487101      3.083500
  H      -1.326836     -7.432345      1.660420
  H      -1.499574     -5.714851      1.251317
  H      -4.738481     -8.167109      4.881582
  H      -3.229841     -7.312867      5.289172
  H      -4.153840     -8.367665      2.587197
  H      -2.521564     -8.338827      3.299399
  H      -2.920447     -4.963948     -0.263585
  H      -4.566199     -4.416003      0.066014
  H      -3.641447     -7.187782      0.387946
  H      -5.057655     -6.580038      1.381673
  C      -2.571089     -2.905198      1.317572
  C      -2.213497     -2.459532      0.025590
  C      -1.588937     -1.232805     -0.119121
  C      -1.339499     -0.406074      0.998338
  C      -1.682061     -0.826250      2.268465
  C      -2.259208     -2.101774      2.448716
  N      -2.687746     -2.607393      3.663423
  C      -2.169845     -2.074305      4.797547
  C      -0.806556     -1.708640      5.075384
  O      -0.422871     -1.077737      6.031911
  Cl      0.452349     -2.469403      3.967939
  C      -5.969319     -5.850011      4.906237
  C      -6.751976     -6.702853      5.714831
  C      -8.037149     -6.322572      6.078075
  C      -8.582005     -5.105955      5.638385
  C      -7.821366     -4.236788      4.861419
  C      -6.508444     -4.576845      4.519752
  N      -5.645712     -3.759334      3.721884
  C      -5.999060     -2.462461      3.613998
  C      -5.662124     -1.677577      2.469228
  O      -5.294315     -2.055930      1.376274
  Cl     -5.972603      0.087085      2.765270
  C      -1.457902     -5.148618      5.490032
  C      -0.188871     -5.493601      6.015563
  C       0.109356     -5.204047      7.333275
  C      -0.825664     -4.541503      8.159634
  C      -2.077694     -4.216903      7.678842
  C      -2.436910     -4.557534      6.356754
  N      -3.652417     -4.237573      5.769115
  C      -4.717008     -3.866229      6.494392
  C      -5.092466     -4.455271      7.762413
  O      -4.667174     -5.435764      8.321940
  Cl     -6.526195     -3.556410      8.450181
  H      -2.452879     -3.045873     -0.859660
  H      -1.318584     -0.883994     -1.116463
  H      -0.894802      0.578878      0.856558
  H      -1.538238     -0.171856      3.127267
  H      -2.834837     -1.957142      5.652305
  H      -6.348404     -7.650385      6.069164
  H      -8.632544     -6.984845      6.707386
  H      -9.603983     -4.837927      5.905296
  H      -8.259861     -3.307528      4.499351
  H      -6.656867     -2.019876      4.361715
  H       0.570020     -5.940409      5.376246
  H       1.094800     -5.452526      7.728747
  H      -0.547626     -4.261327      9.175559
  H      -2.774953     -3.658224      8.299656
  H      -5.398214     -3.135217      6.075662
  N      -5.184717     -5.278578      2.222898
  H      -5.204202     -5.089690      1.207933
  H      -5.995308     -5.840547      2.508232
74
Coordinates from ORCA-job orca E -7298.734874182402
  N      -3.215113     -4.058047      1.613423
  C      -3.661014     -4.906850      0.510449
  C      -3.920220     -6.401541      1.087537
  N      -3.117822     -6.519543      2.341532
  C      -3.440685     -7.754543      3.148783
  C      -4.043844     -7.388726      4.540681
  N      -4.733531     -6.115100      4.433898
  Mo     -3.647530     -4.577505      3.577090
  N      -1.843914     -5.325448      4.190423
  C      -0.943760     -6.087453      3.321380
  C      -1.668954     -6.456521      2.031242
  H      -0.620547     -6.992736      3.859958
  H      -0.048875     -5.487642      3.089347
  H      -1.315431     -7.430816      1.660217
  H      -1.491107     -5.712629      1.250666
  H      -4.735332     -8.175257      4.871664
  H      -3.229533     -7.315534      5.278119
  H      -4.149015     -8.367034      2.575120
  H      -2.520930     -8.333380      3.297223
  H      -2.889134     -4.981242     -0.269767
  H      -4.535897     -4.427226      0.034158
  H      -3.602688     -7.193407      0.374755
  H      -5.022130     -6.597886      1.349269
  C      -2.557500     -2.907356      1.306135
  C      -2.188319     -2.463996      0.015724
  C      -1.566262     -1.235809     -0.125025
  C      -1.329557     -0.405350      0.993003
  C      -1.682516     -0.822928      2.260965
  C      -2.258520     -2.099399      2.438132
  N      -2.689770     -2.605385      3.650016
  C      -2.171619     -2.079303      4.786079
  C      -0.808213     -1.715198      5.068185
  O      -0.428956     -1.092185      6.031032
  Cl      0.454507     -2.465932      3.953894
  C      -5.972759     -5.853098      4.915312
  C      -6.750194     -6.709238      5.727115
  C      -8.032634     -6.332324      6.101476
  C      -8.582712     -5.114423      5.671249
  C      -7.828719     -4.242124      4.891875
  C      -6.517653     -4.578421      4.539871
  N      -5.664785     -3.752357      3.738037
  C      -6.019148     -2.459235      3.633072
  C      -5.670558     -1.672361      2.489108
  O      -5.292552     -2.054169      1.402877
  Cl     -5.983535      0.091222      2.783223
  C      -1.469605     -5.150137      5.487373
  C      -0.200805     -5.496807      6.014847
  C       0.098053     -5.206211      7.331965
  C      -0.835850     -4.541238      8.157296
  C      -2.087159     -4.215709      7.675140
  C      -2.446742     -4.557203      6.353575
  N      -3.662337     -4.232601      5.769065
  C      -4.722820     -3.854655      6.494019
  C      -5.101783     -4.443014      7.763730
  O      -4.678498     -5.424890      8.320796
  Cl     -6.528750     -3.534778      8.452326
  H      -2.418445     -3.053824     -0.869876
  H      -1.287944     -0.888394     -1.120936
  H      -0.886213      0.580614      0.852573
  H      -1.547305     -0.166411      3.119774
  H      -2.835233     -1.970345      5.642722
  H      -6.341394     -7.657377      6.074355
  H      -8.621770     -6.998320      6.733154
  H      -9.602712     -4.847646      5.947427
  H      -8.271364     -3.311629      4.537698
  H      -6.685683     -2.020564      4.375398
  H       0.557301     -5.945105      5.375506
  H       1.083850     -5.455112      7.726909
  H      -0.557816     -4.259050      9.172863
  H      -2.783111     -3.654865      8.295690
  H      -5.400779     -3.120277      6.076018
  N      -5.213439     -5.249430      2.221861
  H      -5.234683     -5.058340      1.216249
  H      -6.026479     -5.799093      2.513117
74
Coordinates from ORCA-job orca E -7298.754456712163
  N      -3.205940     -4.060044      1.597433
  C      -3.638946     -4.918497      0.496927
  C      -3.896538     -6.406508      1.067609
  N      -3.113037     -6.521207      2.327252
  C      -3.442455     -7.750947      3.139641
  C      -4.046967     -7.390372      4.530523
  N      -4.740712     -6.120670      4.435130
  Mo     -3.660736     -4.580033      3.563902
  N      -1.851380     -5.327679      4.186634
  C      -0.945568     -6.087057      3.323939
  C      -1.661977     -6.454191      2.030981
  H      -0.622935     -6.992165      3.863576
  H      -0.048954     -5.487365      3.097309
  H      -1.305348     -7.428085      1.661023
  H      -1.482065     -5.708971      1.252480
  H      -4.733244     -8.183182      4.858696
  H      -3.230886     -7.319064      5.266380
  H      -4.145887     -8.364391      2.561151
  H      -2.522567     -8.328448      3.293229
  H      -2.857464     -5.002267     -0.272973
  H      -4.506179     -4.444120      0.004051
  H      -3.563238     -7.195271      0.361410
  H      -4.983210     -6.611366      1.317383
  C      -2.545419     -2.912865      1.296183
  C      -2.164426     -2.472300      0.007310
  C      -1.545659     -1.242581     -0.130474
  C      -1.322371     -0.407440      0.987205
  C      -1.685629     -0.821732      2.253026
  C      -2.259749     -2.099373      2.428256
  N      -2.693441     -2.605085      3.637416
  C      -2.175121     -2.084643      4.774732
  C      -0.811828     -1.721507      5.059185
  O      -0.433997     -1.105364      6.026638
  Cl      0.452233     -2.463739      3.938087
  C      -5.974830     -5.856652      4.922322
  C      -6.747621     -6.717117      5.735823
  C      -8.026935     -6.343894      6.121140
  C      -8.581902     -5.123823      5.701861
  C      -7.834390     -4.247721      4.922028
  C      -6.524562     -4.579838      4.559818
  N      -5.681298     -3.746246      3.756516
  C      -6.035232     -2.456448      3.654882
  C      -5.670861     -1.663060      2.516500
  O      -5.278959     -2.042750      1.436299
  Cl     -5.988758      0.097509      2.814723
  C      -1.482635     -5.150548      5.483713
  C      -0.213922     -5.498486      6.013305
  C       0.085791     -5.206272      7.329396
  C      -0.846898     -4.538478      8.153643
  C      -2.097297     -4.212419      7.670246
  C      -2.457630     -4.555508      6.349175
  N      -3.672294     -4.227178      5.767306
  C      -4.728389     -3.842392      6.492938
  C      -5.109847     -4.429444      7.764064
  O      -4.689468     -5.412870      8.319598
  Cl     -6.529292     -3.511931      8.454459
  H      -2.384713     -3.066375     -0.877919
  H      -1.259444     -0.897066     -1.124856
  H      -0.881055      0.579511      0.847349
  H      -1.559627     -0.162591      3.111288
  H      -2.836557     -1.983301      5.633743
  H      -6.334253     -7.666278      6.074722
  H      -8.610221     -7.014178      6.753776
  H      -9.599746     -4.858749      5.987272
  H      -8.280817     -3.315656      4.576996
  H      -6.713440     -2.022686      4.389404
  H       0.543384     -5.948405      5.374385
  H       1.071853     -5.455227      7.723686
  H      -0.568668     -4.253747      9.168428
  H      -2.791844     -3.649144      8.290069
  H      -5.403263     -3.104549      6.076388
  N      -5.240928     -5.220434      2.221927
  H      -5.263786     -5.026189      1.223292
  H      -6.056501     -5.758684      2.518205
74
Coordinates from ORCA-job orca E -7298.771171756775
  N      -3.197812     -4.065328      1.583079
  C      -3.616387     -4.933088      0.484048
  C      -3.872603     -6.410234      1.047101
  N      -3.108673     -6.522347      2.313758
  C      -3.445362     -7.747597      3.129155
  C      -4.050715     -7.392599      4.518739
  N      -4.746438     -6.125287      4.434163
  Mo     -3.674940     -4.583512      3.549483
  N      -1.860992     -5.329254      4.182636
  C      -0.948213     -6.086615      3.328180
  C      -1.655067     -6.452002      2.032371
  H      -0.626696     -6.991235      3.869555
  H      -0.049731     -5.487159      3.107700
  H      -1.295957     -7.425426      1.662910
  H      -1.471637     -5.705208      1.256546
  H      -4.732514     -8.191172      4.843193
  H      -3.233863     -7.324060      5.254202
  H      -4.144462     -8.360926      2.545515
  H      -2.526284     -8.325362      3.287328
  H      -2.824563     -5.025534     -0.274495
  H      -4.476530     -4.465971     -0.026118
  H      -3.522665     -7.194633      0.346645
  H      -4.944542     -6.621833      1.284657
  C      -2.534544     -2.921160      1.286903
  C      -2.141589     -2.483909     -0.000346
  C      -1.526901     -1.252385     -0.136148
  C      -1.317840     -0.411699      0.980395
  C      -1.691328     -0.822303      2.244115
  C      -2.262631     -2.101421      2.418390
  N      -2.698670     -2.606360      3.625288
  C      -2.180382     -2.089901      4.763272
  C      -0.817314     -1.727047      5.048996
  O      -0.439502     -1.116414      6.019728
  Cl      0.447307     -2.462842      3.922836
  C      -5.975927     -5.860769      4.927669
  C      -6.744498     -6.726817      5.741122
  C      -8.020397     -6.357590      6.137536
  C      -8.579742     -5.134320      5.731094
  C      -7.838401     -4.253381      4.952889
  C      -6.529331     -4.580798      4.580409
  N      -5.695192     -3.740025      3.777930
  C      -6.047640     -2.452972      3.680311
  C      -5.664118     -1.648581      2.552387
  O      -5.254623     -2.020648      1.477574
  Cl     -5.988661      0.107250      2.861017
  C      -1.496588     -5.149979      5.479645
  C      -0.227908     -5.498853      6.011509
  C       0.072837     -5.204124      7.326231
  C      -0.858561     -4.532763      8.149128
  C      -2.107913     -4.206485      7.664451
  C      -2.469272     -4.552200      6.343952
  N      -3.682262     -4.221049      5.763896
  C      -4.733710     -3.829126      6.491150
  C      -5.116811     -4.414401      7.763512
  O      -4.700224     -5.399715      8.318039
  Cl     -6.528036     -3.487579      8.456738
  H      -2.351406     -3.082983     -0.884621
  H      -1.232866     -0.909149     -1.128991
  H      -0.879306      0.576392      0.840474
  H      -1.575264     -0.160084      3.101398
  H      -2.839285     -1.995383      5.624760
  H      -6.327253     -7.677646      6.070114
  H      -8.598372     -7.032911      6.769613
  H      -9.595337     -4.871439      6.025884
  H      -8.288191     -3.319198      4.618565
  H      -6.740225     -2.025109      4.404737
  H       0.528654     -5.950834      5.373549
  H       1.059120     -5.452811      7.719936
  H      -0.579897     -4.244727      9.162758
  H      -2.801008     -3.640205      8.282930
  H      -5.405502     -3.087535      6.076723
  N      -5.267666     -5.192820      2.221024
  H      -5.291541     -4.994067      1.227135
  H      -6.086135     -5.720589      2.521200
74
Coordinates from ORCA-job orca E -7298.785321402815
  N      -3.190423     -4.073455      1.569630
  C      -3.592628     -4.949689      0.470809
  C      -3.848163     -6.413848      1.025462
  N      -3.104529     -6.523845      2.301020
  C      -3.449494     -7.745394      3.117384
  C      -4.055308     -7.395790      4.505561
  N      -4.751067     -6.129199      4.431189
  Mo     -3.690173     -4.587948      3.533689
  N      -1.872398     -5.330393      4.178950
  C      -0.951671     -6.086733      3.334236
  C      -1.648019     -6.451043      2.035335
  H      -0.632076     -6.990598      3.878154
  H      -0.051147     -5.487684      3.120602
  H      -1.286923     -7.423995      1.666066
  H      -1.459598     -5.702625      1.262571
  H      -4.733760     -8.199241      4.825561
  H      -3.238654     -7.330984      5.241772
  H      -4.145145     -8.357454      2.528511
  H      -2.532260     -8.325276      3.279430
  H      -2.789594     -5.049231     -0.275266
  H      -4.446014     -4.491708     -0.057399
  H      -3.480879     -7.193048      0.330262
  H      -4.909010     -6.630836      1.250477
  C      -2.524413     -2.931624      1.277897
  C      -2.119227     -2.498122     -0.007471
  C      -1.509206     -1.264485     -0.142035
  C      -1.315212     -0.417668      0.972757
  C      -1.699023     -0.824459      2.234343
  C      -2.266666     -2.105314      2.408284
  N      -2.705227     -2.608995      3.613443
  C      -2.187251     -2.094494      4.751341
  C      -0.824467     -1.730739      5.037266
  O      -0.446248     -1.123594      6.009875
  Cl      0.440593     -2.461634      3.907769
  C      -5.976470     -5.865402      4.931507
  C      -6.741233     -6.738382      5.742896
  C      -8.013542     -6.373431      6.150651
  C      -8.576489     -5.145927      5.759172
  C      -7.840775     -4.258910      4.984858
  C      -6.532112     -4.581081      4.602041
  N      -5.706558     -3.732834      3.802591
  C      -6.057079     -2.448156      3.709947
  C      -5.652688     -1.628955      2.596748
  O      -5.223485     -1.988689      1.526677
  Cl     -5.985689      0.120595      2.921253
  C      -1.511064     -5.148554      5.475708
  C      -0.242449     -5.498181      6.009918
  C       0.059507     -5.199882      7.322987
  C      -0.870429     -4.523993      8.144118
  C      -2.118642     -4.197666      7.658056
  C      -2.481243     -4.547175      6.338342
  N      -3.692077     -4.214001      5.759175
  C      -4.738415     -3.814720      6.489152
  C      -5.122178     -4.398194      7.762631
  O      -4.710183     -5.386002      8.315912
  Cl     -6.524256     -3.461913      8.460300
  H      -2.317875     -3.102733     -0.890418
  H      -1.207311     -0.923774     -1.133316
  H      -0.880098      0.571759      0.832391
  H      -1.593659     -0.158857      3.090380
  H      -2.843399     -2.005848      5.615299
  H      -6.320912     -7.691664      6.060228
  H      -8.586911     -7.054626      6.780502
  H      -9.589811     -4.885711      6.063483
  H      -8.293382     -3.321910      4.662990
  H      -6.766250     -2.027143      4.422289
  H       0.513430     -5.952885      5.373509
  H       1.045979     -5.448076      7.716270
  H      -0.591028     -4.231784      9.156233
  H      -2.810217     -3.627587      8.274517
  H      -5.407005     -3.068787      6.077870
  N      -5.293784     -5.167428      2.217553
  H      -5.317791     -4.962619      1.226950
  H      -6.115641     -5.685575      2.520308
74
Coordinates from ORCA-job orca E -7298.797270665505
  N      -3.183608     -4.083751      1.556445
  C      -3.567336     -4.967394      0.456583
  C      -3.823291     -6.418754      1.003131
  N      -3.100571     -6.526520      2.289194
  C      -3.454937     -7.744967      3.104766
  C      -4.060939     -7.399944      4.491491
  N      -4.755000     -6.132462      4.426481
  Mo     -3.706383     -4.593142      3.516534
  N      -1.885090     -5.331071      4.175867
  C      -0.955982     -6.087678      3.341901
  C      -1.640947     -6.452226      2.039714
  H      -0.639207     -6.990496      3.889276
  H      -0.053299     -5.489241      3.135489
  H      -1.278125     -7.424793      1.670791
  H      -1.446368     -5.702445      1.269999
  H      -4.737531     -8.207026      4.806555
  H      -3.245399     -7.339748      5.229488
  H      -4.148384     -8.354567      2.510921
  H      -2.540628     -8.328957      3.269842
  H      -2.752385     -5.071891     -0.276081
  H      -4.414080     -4.520331     -0.090222
  H      -3.438466     -7.192592      0.313220
  H      -4.877814     -6.639960      1.215175
  C      -2.514854     -2.943552      1.268800
  C      -2.097237     -2.514126     -0.014403
  C      -1.492321     -1.278089     -0.148346
  C      -1.314088     -0.424769      0.964180
  C      -1.708242     -0.827799      2.223584
  C      -2.271400     -2.110649      2.397686
  N      -2.712787     -2.612579      3.601674
  C      -2.195605     -2.098004      4.738803
  C      -0.833112     -1.732385      5.024668
  O      -0.455181     -1.126506      5.998050
  Cl      0.433250     -2.460899      3.894945
  C      -5.976905     -5.870308      4.933785
  C      -6.738395     -6.751438      5.740959
  C      -8.007152     -6.391036      6.159989
  C      -8.572763     -5.158467      5.785291
  C      -7.841836     -4.264197      5.017171
  C      -6.533254     -4.580609      4.624309
  N      -5.715562     -3.724142      3.830110
  C      -6.064395     -2.441806      3.743668
  C      -5.638371     -1.604307      2.649253
  O      -5.187619     -1.947357      1.583695
  Cl     -5.981501      0.137486      2.994776
  C      -1.525465     -5.146148      5.472107
  C      -0.256891     -5.496373      6.008508
  C       0.046594     -5.193388      7.319650
  C      -0.881563     -4.511976      8.138641
  C      -2.128682     -4.185735      7.651244
  C      -2.492883     -4.540280      6.332682
  N      -3.701441     -4.205838      5.753726
  C      -4.742085     -3.799364      6.487737
  C      -5.125408     -4.381836      7.762117
  O      -4.718672     -5.373113      8.312958
  Cl     -6.517367     -3.436189      8.466463
  H      -2.284105     -3.124559     -0.895798
  H      -1.182584     -0.940068     -1.138078
  H      -0.882969      0.566223      0.823119
  H      -1.614251     -0.158557      3.078124
  H      -2.849210     -2.013956      5.604878
  H      -6.315901     -7.707904      6.045115
  H      -8.576803     -7.078876      6.785900
  H      -9.583925     -4.901350      6.098917
  H      -8.296632     -3.323734      4.709300
  H      -6.792058     -2.028845      4.442120
  H       0.498301     -5.954530      5.374162
  H       1.033293     -5.440890      7.712602
  H      -0.600963     -4.214692      9.148861
  H      -2.818558     -3.610993      8.265117
  H      -5.407392     -3.048238      6.081143
  N      -5.318900     -5.144733      2.210873
  H      -5.342296     -4.932404      1.222723
  H      -6.144583     -5.654002      2.515037
74
Coordinates from ORCA-job orca E -7298.807334603354
  N      -3.177285     -4.095387      1.543189
  C      -3.540563     -4.985263      0.441247
  C      -3.798316     -6.426043      0.981032
  N      -3.096901     -6.530879      2.278526
  C      -3.461826     -7.746543      3.091921
  C      -4.067706     -7.404791      4.477224
  N      -4.758580     -6.134987      4.420539
  Mo     -3.723485     -4.598758      3.498257
  N      -1.898525     -5.331187      4.173532
  C      -0.961205     -6.089502      3.350826
  C      -1.634169     -6.456066      2.045379
  H      -0.648143     -6.990973      3.902587
  H      -0.056306     -5.491946      3.151595
  H      -1.269627     -7.428423      1.677431
  H      -1.432724     -5.705490      1.278297
  H      -4.744156     -8.214000      4.787137
  H      -3.254068     -7.349948      5.217850
  H      -4.154701     -8.352406      2.493723
  H      -2.551571     -8.336698      3.259026
  H      -2.713387     -5.092313     -0.277471
  H      -4.380954     -4.550388     -0.124240
  H      -3.396443     -7.195004      0.296802
  H      -4.850494     -6.650162      1.179475
  C      -2.505745     -2.956183      1.259570
  C      -2.075531     -2.530935     -0.021157
  C      -1.475750     -1.292388     -0.154847
  C      -1.313506     -0.432550      0.955077
  C      -1.718003     -0.832033      2.212200
  C      -2.276252     -2.116999      2.386699
  N      -2.720915     -2.616635      3.589958
  C      -2.205054     -2.100005      4.725575
  C      -0.842872     -1.731198      5.010975
  O      -0.466242     -1.123932      5.983868
  Cl      0.425573     -2.458721      3.883177
  C      -5.977594     -5.875032      4.934651
  C      -6.736493     -6.765194      5.735621
  C      -8.001932     -6.409578      6.165407
  C      -8.569272     -5.171470      5.808602
  C      -7.842127     -4.269090      5.048745
  C      -6.533251     -4.579304      4.646562
  N      -5.722555     -3.713750      3.859694
  C      -6.070539     -2.434032      3.780366
  C      -5.623146     -1.575704      2.707876
  O      -5.149889     -1.898707      1.646876
  Cl     -5.977979      0.157025      3.078305
  C      -1.539237     -5.142714      5.468918
  C      -0.270628     -5.493474      6.007174
  C       0.034786     -5.184942      7.316168
  C      -0.891176     -4.497212      8.132841
  C      -2.137339     -4.171091      7.644369
  C      -2.503613     -4.531656      6.327359
  N      -3.710095     -4.196620      5.748411
  C      -4.744513     -3.783912      6.487923
  C      -5.126131     -4.367345      7.762669
  O      -4.724862     -5.363341      8.308892
  Cl     -6.507355     -3.413368      8.476568
  H      -2.250233     -3.147095     -0.900978
  H      -1.158198     -0.957143     -1.143036
  H      -0.886641      0.560138      0.813276
  H      -1.635736     -0.159064      3.065079
  H      -2.856355     -2.019316      5.593443
  H      -6.312777     -7.725373      6.025655
  H      -8.568832     -7.104614      6.785827
  H      -9.578539     -4.917817      6.130886
  H      -8.298535     -3.324751      4.755918
  H      -6.818090     -2.030203      4.463292
  H       0.483815     -5.955729      5.375262
  H       1.021795     -5.431671      7.708754
  H      -0.608816     -4.194180      9.140828
  H      -2.825277     -3.590965      8.255316
  H      -5.406751     -3.026707      6.088069
  N      -5.342246     -5.124711      2.201309
  H      -5.364684     -4.903629      1.215260
  H      -6.172027     -5.625772      2.506019
74
Coordinates from ORCA-job orca E -7298.815782194732
  N      -3.171415     -4.107352      1.529763
  C      -3.512709     -5.002354      0.425127
  C      -3.773811     -6.435776      0.960025
  N      -3.093746     -6.536702      2.269131
  C      -3.470385     -7.749627      3.079363
  C      -4.075509     -7.409655      4.463462
  N      -4.761959     -6.136378      4.414060
  Mo     -3.741377     -4.604157      3.479192
  N      -1.912100     -5.330308      4.171765
  C      -0.967320     -6.091778      3.360377
  C      -1.628148     -6.462301      2.052030
  H      -0.658730     -6.991611      3.917364
  H      -0.060182     -5.495467      3.167783
  H      -1.261722     -7.434691      1.686021
  H      -1.419682     -5.711707      1.286825
  H      -4.753568     -8.219391      4.768254
  H      -3.264291     -7.360797      5.207216
  H      -4.164776     -8.350264      2.477749
  H      -2.565378     -8.348076      3.247205
  H      -2.673544     -5.109668     -0.279647
  H      -4.347167     -4.580125     -0.158422
  H      -3.356127     -7.200735      0.281890
  H      -4.826189     -6.661245      1.144185
  C      -2.496995     -2.968629      1.250339
  C      -2.054123     -2.547418     -0.027618
  C      -1.459173     -1.306436     -0.161202
  C      -1.312689     -0.440342      0.945937
  C      -1.727426     -0.836612      2.200631
  C      -2.280631     -2.123749      2.375638
  N      -2.729087     -2.620604      3.578484
  C      -2.215343     -2.100750      4.712275
  C      -0.853467     -1.728334      4.998070
  O      -0.479781     -1.117861      5.969934
  Cl      0.418454     -2.457867      3.876065
  C      -5.978637     -5.878819      4.934618
  C      -6.735615     -6.778425      5.727933
  C      -7.998080     -6.427808      6.167632
  C      -8.566460     -5.184135      5.828924
  C      -7.842192     -4.273264      5.078775
  C      -6.532642     -4.576934      4.668255
  N      -5.728179     -3.701695      3.890271
  C      -6.076581     -2.425131      3.817508
  C      -5.609540     -1.546349      2.767184
  O      -5.114979     -1.849200      1.710915
  Cl     -5.976364      0.177048      3.162447
  C      -1.551771     -5.137901      5.465868
  C      -0.282919     -5.489169      6.005395
  C       0.024980     -5.174667      7.312054
  C      -0.898271     -4.480219      8.126605
  C      -2.143745     -4.154180      7.637650
  C      -2.512778     -4.521307      6.322574
  N      -3.717716     -4.186318      5.744159
  C      -4.745570     -3.769476      6.490768
  C      -5.123851     -4.357133      7.764930
  O      -4.727381     -5.359159      8.303442
  Cl     -6.494430     -3.397479      8.491976
  H      -2.216566     -3.168858     -0.906018
  H      -1.133929     -0.973979     -1.147850
  H      -0.890117      0.554086      0.803498
  H      -1.656959     -0.159933      3.051710
  H      -2.865111     -2.022299      5.581269
  H      -6.311506     -7.742522      6.003646
  H      -8.563053     -7.130262      6.781451
  H      -9.574188     -4.934240      6.158880
  H      -8.299865     -3.324997      4.801383
  H      -6.844445     -2.030372      4.483400
  H       0.470611     -5.955945      5.376032
  H       1.012442     -5.420650      7.703992
  H      -0.613464     -4.171146      9.132075
  H      -2.829454     -3.568280      8.245688
  H      -5.405551     -3.005612      6.100116
  N      -5.362954     -5.106581      2.189968
  H      -5.384659     -4.875751      1.206038
  H      -6.196907     -5.600014      2.494724
74
Coordinates from ORCA-job orca E -7298.822835834048
  N      -3.165943     -4.119104      1.516073
  C      -3.484152     -5.018926      0.408692
  C      -3.750090     -6.447791      0.940828
  N      -3.091166     -6.543643      2.261126
  C      -3.480599     -7.753618      3.067643
  C      -4.084057     -7.413927      4.450862
  N      -4.765245     -6.136413      4.407664
  Mo     -3.759851     -4.608833      3.459705
  N      -1.925318     -5.328361      4.170458
  C      -0.974224     -6.094403      3.370241
  C      -1.623126     -6.470596      2.059542
  H      -0.670848     -6.992352      3.933171
  H      -0.064737     -5.499912      3.183429
  H      -1.254588     -7.443359      1.696714
  H      -1.407805     -5.720926      1.295227
  H      -4.765267     -8.222698      4.750774
  H      -3.275495     -7.371426      5.197889
  H      -4.178864     -8.347362      2.463738
  H      -2.582046     -8.362392      3.234781
  H      -2.633637     -5.124882     -0.282523
  H      -4.313011     -4.609956     -0.192182
  H      -3.318317     -7.209893      0.269169
  H      -4.804180     -6.672986      1.110107
  C      -2.488520     -2.980517      1.241016
  C      -2.032878     -2.563167     -0.033899
  C      -1.441914     -1.320102     -0.167354
  C      -1.310310     -0.448225      0.936952
  C      -1.735276     -0.841528      2.189055
  C      -2.284095     -2.130581      2.364499
  N      -2.736945     -2.623997      3.567153
  C      -2.226061     -2.099846      4.698677
  C      -0.864697     -1.722015      4.984574
  O      -0.495139     -1.105840      5.954228
  Cl      0.411158     -2.452341      3.868565
  C      -5.980186     -5.881207      4.934040
  C      -6.735870     -6.790222      5.718828
  C      -7.995795     -6.444767      6.167358
  C      -8.564754     -5.195825      5.846234
  C      -7.842578     -4.276499      5.106608
  C      -6.532119     -4.573534      4.688714
  N      -5.733155     -3.688306      3.920853
  C      -6.083480     -2.415205      3.853631
  C      -5.598551     -1.516793      2.825201
  O      -5.083715     -1.799899      1.773985
  Cl     -5.976354      0.197336      3.245093
  C      -1.562943     -5.131761      5.462909
  C      -0.293686     -5.483637      6.003229
  C       0.017096     -5.163356      7.307509
  C      -0.903037     -4.462242      8.120383
  C      -2.148047     -4.136100      7.631562
  C      -2.520405     -4.509668      6.318594
  N      -3.724531     -4.175266      5.741803
  C      -4.746045     -3.757832      6.496913
  C      -5.119008     -4.354119      7.769096
  O      -4.725323     -5.363135      8.296311
  Cl     -6.480256     -3.393580      8.513196
  H      -2.183289     -3.189228     -0.911119
  H      -1.109014     -0.990520     -1.152456
  H      -0.891554      0.547777      0.794081
  H      -1.676234     -0.161295      3.038273
  H      -2.874674     -2.023198      5.568495
  H      -6.312007     -7.758154      5.980745
  H      -8.559463     -7.154573      6.773940
  H      -9.571322     -4.949839      6.182733
  H      -8.301280     -3.324446      4.844563
  H      -6.871349     -2.029347      4.501591
  H       0.458797     -5.955096      5.376390
  H       1.005105     -5.408826      7.698492
  H      -0.615245     -4.147366      9.123238
  H      -2.831391     -3.544470      8.236944
  H      -5.405474     -2.987524      6.117946
  N      -5.380097     -5.089686      2.177923
  H      -5.401868     -4.848522      1.196152
  H      -6.218149     -5.576000      2.482581
74
Coordinates from ORCA-job orca E -7298.828684416413
  N      -3.160798     -4.129804      1.502050
  C      -3.455575     -5.034728      0.392528
  C      -3.727584     -6.460655      0.923594
  N      -3.089274     -6.550623      2.254310
  C      -3.492484     -7.757280      3.056864
  C      -4.092852     -7.416576      4.439719
  N      -4.768319     -6.134457      4.401835
  Mo     -3.778583     -4.611863      3.440008
  N      -1.937582     -5.324740      4.169147
  C      -0.981618     -6.096717      3.379872
  C      -1.619286     -6.479891      2.067533
  H      -0.684094     -6.992558      3.949342
  H      -0.069543     -5.504869      3.197637
  H      -1.248514     -7.453439      1.709203
  H      -1.397444     -5.732164      1.303043
  H      -4.778328     -8.223167      4.735231
  H      -3.286766     -7.380565      5.189697
  H      -4.197228     -8.342151      2.451884
  H      -2.601637     -8.378356      3.221611
  H      -2.594745     -5.138274     -0.285993
  H      -4.279221     -4.639368     -0.224617
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  H      -4.784101     -6.684024      1.077533
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  C      -1.424296     -1.333037     -0.173839
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  C      -1.741241     -0.846112      2.176983
  C      -2.286106     -2.136893      2.353205
  N      -2.743872     -2.626279      3.555944
  C      -2.237307     -2.098142      4.685768
  C      -0.876577     -1.715912      4.974933
  O      -0.513658     -1.094111      5.943261
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  C      -5.982054     -5.881408      4.933389
  C      -6.736769     -6.799389      5.709571
  C      -7.994607     -6.459310      6.165854
  C      -8.564130     -5.205780      5.861111
  C      -7.843661     -4.278375      5.131980
  C      -6.532198     -4.568761      4.707486
  N      -5.738223     -3.673745      3.950248
  C      -6.091979     -2.404365      3.885837
  C      -5.592262     -1.489890      2.875896
  O      -5.061299     -1.756746      1.829114
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  C      -0.904843     -4.443165      8.113877
  C      -2.149731     -4.116915      7.626002
  C      -2.526107     -4.496427      6.315253
  N      -3.730474     -4.163235      5.741930
  C      -4.746118     -3.750148      6.507110
  C      -5.110749     -4.360158      7.775773
  O      -4.716313     -5.376565      8.287758
  Cl     -6.464704     -3.405437      8.541482
  H      -2.151174     -3.207848     -0.916481
  H      -1.084116     -1.006507     -1.157511
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  H      -1.693214     -0.162267      3.024070
  H      -2.886569     -2.022650      5.555042
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  H      -9.569884     -4.963823      6.203076
  H      -8.303451     -3.322975      4.884685
  H      -6.898148     -2.026000      4.515885
  H       0.448859     -5.951865      5.375384
  H       1.000546     -5.395498      7.691394
  H      -0.613534     -4.123028      9.114088
  H      -2.830712     -3.520052      8.229234
  H      -5.407734     -2.974534      6.142540
  N      -5.393041     -5.072742      2.166127
  H      -5.416243     -4.820886      1.186669
  H      -6.234964     -5.552472      2.470782
74
Coordinates from ORCA-job orca E -7298.833515970407
  N      -3.155790     -4.139459      1.488358
  C      -3.427560     -5.049814      0.377510
  C      -3.706863     -6.473356      0.908367
  N      -3.088390     -6.557536      2.248683
  C      -3.506380     -7.760542      3.047002
  C      -4.101773     -7.417893      4.430197
  N      -4.771313     -6.131039      4.397063
  Mo     -3.797144     -4.613458      3.420915
  N      -1.948765     -5.320598      4.168415
  C      -0.989572     -6.099976      3.389878
  C      -1.616829     -6.490376      2.076261
  H      -0.698947     -6.993794      3.966187
  H      -0.074264     -5.512115      3.211280
  H      -1.244100     -7.465198      1.723526
  H      -1.388290     -5.745475      1.310855
  H      -4.792155     -8.221443      4.721954
  H      -3.297585     -7.388387      5.182396
  H      -4.220282     -8.334162      2.442031
  H      -2.624573     -8.395878      3.207483
  H      -2.557648     -5.150181     -0.289569
  H      -4.246293     -4.667511     -0.254524
  H      -3.253504     -7.233033      0.249529
  H      -4.766287     -6.693430      1.046523
  C      -2.471861     -3.001145      1.222390
  C      -1.991081     -2.591435     -0.046129
  C      -1.404582     -1.345907     -0.179519
  C      -1.298493     -0.463855      0.919025
  C      -1.743363     -0.851325      2.165802
  C      -2.286530     -2.142884      2.342377
  N      -2.749974     -2.627492      3.545110
  C      -2.248319     -2.094345      4.672532
  C      -0.889286     -1.701140      4.961051
  O      -0.532949     -1.068848      5.924771
  Cl      0.397757     -2.430498      3.860828
  C      -5.984378     -5.879918      4.933157
  C      -6.738385     -6.806163      5.701053
  C      -7.994522     -6.471462      6.164200
  C      -8.564560     -5.213963      5.874655
  C      -7.845457     -4.279015      5.155626
  C      -6.533222     -4.563185      4.724838
  N      -5.743507     -3.658946      3.978644
  C      -6.101174     -2.393035      3.914295
  C      -5.588288     -1.466533      2.919433
  O      -5.044542     -1.721221      1.876600
  Cl     -5.977003      0.233894      3.378160
  C      -1.580800     -5.114775      5.456757
  C      -0.310161     -5.467935      5.997401
  C       0.007487     -5.138334      7.297124
  C      -0.905538     -4.425711      8.108862
  C      -2.150323     -4.098988      7.622275
  C      -2.530935     -4.483278      6.313492
  N      -3.736549     -4.151549      5.745504
  C      -4.747709     -3.748918      6.521504
  C      -5.101635     -4.377982      7.784605
  O      -4.702365     -5.401578      8.277890
  Cl     -6.452165     -3.437509      8.574712
  H      -2.119844     -3.224856     -0.921452
  H      -1.056959     -1.022681     -1.161722
  H      -0.885240      0.534399      0.775547
  H      -1.705115     -0.164281      3.010914
  H      -2.897264     -2.022009      5.542177
  H      -6.315654     -7.780511      5.939037
  H      -8.556061     -7.194918      6.756566
  H      -9.569693     -4.975900      6.221318
  H      -8.306201     -3.320530      4.922538
  H      -6.923009     -2.020102      4.527500
  H       0.439813     -5.948133      5.374734
  H       0.996894     -5.383694      7.684904
  H      -0.610609     -4.101313      9.106681
  H      -2.829180     -3.497577      8.223791
  H      -5.414919     -2.970172      6.173225
  N      -5.401609     -5.055106      2.155451
  H      -5.427911     -4.792004      1.178448
  H      -6.247216     -5.528821      2.460156
74
Coordinates from ORCA-job orca E -7298.837445476413
  N      -3.150800     -4.147953      1.473519
  C      -3.401232     -5.064357      0.362750
  C      -3.688319     -6.485226      0.894354
  N      -3.088294     -6.563551      2.243231
  C      -3.521295     -7.762355      3.037749
  C      -4.109463     -7.416718      4.421975
  N      -4.773545     -6.125533      4.392699
  Mo     -3.814690     -4.612779      3.401340
  N      -1.957623     -5.314214      4.166504
  C      -0.996972     -6.102246      3.398351
  C      -1.615493     -6.500623      2.084217
  H      -0.713361     -6.993701      3.981952
  H      -0.078089     -5.519506      3.221451
  H      -1.241032     -7.477214      1.738294
  H      -1.380627     -5.759579      1.316853
  H      -4.804532     -8.216862      4.711355
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  H      -4.246703     -8.322736      2.434110
  H      -2.649589     -8.413269      3.192258
  H      -2.523765     -5.160712     -0.294667
  H      -4.215637     -4.694032     -0.282316
  H      -3.227730     -7.245268      0.241460
  H      -4.750575     -6.701018      1.016764
  C      -2.463883     -3.009889      1.211652
  C      -1.972363     -2.604121     -0.054230
  C      -1.388817     -1.357259     -0.188902
  C      -1.295080     -0.469558      0.905943
  C      -1.748021     -0.854057      2.150592
  C      -2.286177     -2.147544      2.329645
  N      -2.754911     -2.627385      3.533062
  C      -2.262500     -2.091693      4.661414
  C      -0.904866     -1.698823      4.964803
  O      -0.562768     -1.064609      5.932119
  Cl      0.397067     -2.463166      3.908921
  C      -5.986552     -5.876219      4.932337
  C      -6.740020     -6.809718      5.692694
  C      -7.995063     -6.480371      6.161316
  C      -8.565822     -5.219808      5.884984
  C      -7.847793     -4.278000      5.175291
  C      -6.534995     -4.556464      4.738931
  N      -5.748674     -3.643799      4.003907
  C      -6.110420     -2.381028      3.936842
  C      -5.585072     -1.446745      2.953784
  O      -5.032452     -1.693689      1.913965
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  C      -1.586393     -5.101956      5.452295
  C      -0.314142     -5.453851      5.992224
  C       0.007824     -5.119612      7.289480
  C      -0.901683     -4.402876      8.101794
  C      -2.147248     -4.077442      7.617445
  C      -2.532877     -4.467019      6.311113
  N      -3.741354     -4.138176      5.751115
  C      -4.748373     -3.751296      6.539095
  C      -5.087010     -4.401762      7.796459
  O      -4.677440     -5.430585      8.269605
  Cl     -6.436053     -3.482034      8.613852
  H      -2.091680     -3.241139     -0.928249
  H      -1.035503     -1.037439     -1.170216
  H      -0.886056      0.530246      0.761169
  H      -1.720654     -0.162690      2.992592
  H      -2.918312     -2.019078      5.525736
  H      -6.317771     -7.786395      5.921317
  H      -8.555542     -7.209824      6.747302
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  H      -8.309361     -3.316834      4.955215
  H      -6.944995     -2.011425      4.535006
  H       0.434518     -5.937549      5.370892
  H       0.998523     -5.364047      7.674650
  H      -0.602711     -4.073941      9.096950
  H      -2.824627     -3.472525      8.217604
  H      -5.424763     -2.972274      6.208649
  N      -5.406020     -5.036848      2.145103
  H      -5.437321     -4.762469      1.170875
  H      -6.254740     -5.505447      2.450137
74
Coordinates from ORCA-job orca E -7298.840584513207
  N      -3.145459     -4.156070      1.461163
  C      -3.376175     -5.077828      0.350610
  C      -3.672270     -6.495803      0.882196
  N      -3.090099     -6.570150      2.239071
  C      -3.539079     -7.764808      3.028818
  C      -4.117990     -7.416282      4.414832
  N      -4.776334     -6.120741      4.389601
  Mo     -3.831287     -4.612323      3.384232
  N      -1.966184     -5.311120      4.167350
  C      -1.005836     -6.109127      3.409345
  C      -1.616143     -6.513183      2.093947
  H      -0.731287     -6.999162      3.999640
  H      -0.082026     -5.533626      3.234535
  H      -1.241130     -7.491949      1.754809
  H      -1.373444     -5.776059      1.325146
  H      -4.817725     -8.212759      4.702503
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  H      -4.277856     -8.309340      2.426925
  H      -2.678792     -8.432812      3.175596
  H      -2.491990     -5.169002     -0.298236
  H      -4.186351     -4.717113     -0.305885
  H      -3.206355     -7.256753      0.234437
  H      -4.737580     -6.706237      0.988125
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  C      -1.949903     -2.617070     -0.058409
  C      -1.363112     -1.371429     -0.192102
  C      -1.276487     -0.480786      0.900686
  C      -1.740776     -0.861799      2.142289
  C      -2.283383     -2.153485      2.320192
  N      -2.759800     -2.627398      3.522820
  C      -2.273551     -2.085176      4.647771
  C      -0.921483     -1.662284      4.940300
  O      -0.586622     -1.004472      5.894084
  Cl      0.382198     -2.362668      3.846069
  C      -5.989480     -5.873311      4.932636
  C      -6.742694     -6.813305      5.685825
  C      -7.996697     -6.488753      6.159720
  C      -8.567632     -5.225278      5.896228
  C      -7.850151     -4.277212      5.195460
  C      -6.537412     -4.551098      4.753250
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  C      -0.321337     -5.448457      5.992333
  C       0.004027     -5.112353      7.287959
  C      -0.901488     -4.391048      8.100973
  C      -2.146712     -4.064300      7.617963
  C      -2.536651     -4.456317      6.313025
  N      -3.747999     -4.128388      5.761901
  C      -4.752608     -3.761554      6.560656
  C      -5.077217     -4.436131      7.810052
  O      -4.656629     -5.469865      8.261911
  Cl     -6.429706     -3.543198      8.651591
  H      -2.061272     -3.256291     -0.931840
  H      -1.001349     -1.055529     -1.171625
  H      -0.865267      0.518228      0.756712
  H      -1.719933     -0.168313      2.982907
  H      -2.926202     -2.023178      5.515259
  H      -6.321249     -7.792215      5.905769
  H      -8.556258     -7.223744      6.739630
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  H       0.425900     -5.935821      5.372389
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  H      -2.822648     -3.456024      8.216819
  H      -5.439729     -2.984222      6.247593
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  H      -5.444275     -4.731379      1.164966
  H      -6.258997     -5.482413      2.440755
74
Coordinates from ORCA-job orca E -7298.843362695187
  N      -3.139482     -4.163169      1.447007
  C      -3.353676     -5.090680      0.338057
  C      -3.658464     -6.504946      0.870451
  N      -3.092920     -6.575546      2.234486
  C      -3.558241     -7.765345      3.019946
  C      -4.124041     -7.412725      4.408827
  N      -4.777416     -6.113519      4.386647
  Mo     -3.845479     -4.609327      3.366112
  N      -1.971616     -5.304887      4.166189
  C      -1.013757     -6.114790      3.418306
  C      -1.617916     -6.525265      2.102509
  H      -0.748375     -7.002808      4.016041
  H      -0.084474     -5.548187      3.243223
  H      -1.243139     -7.506885      1.771370
  H      -1.367437     -5.793267      1.331212
  H      -4.827152     -8.205560      4.697845
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  H      -4.313013     -8.291239      2.421379
  H      -2.710956     -8.452157      3.156686
  H      -2.464180     -5.174923     -0.304168
  H      -4.160424     -4.737540     -0.327563
  H      -3.188859     -7.267810      0.227895
  H      -4.726357     -6.709585      0.959859
  C      -2.445333     -3.026536      1.192941
  C      -1.931817     -2.628620     -0.067092
  C      -1.347827     -1.381780     -0.202693
  C      -1.272477     -0.485570      0.886054
  C      -1.743650     -0.863636      2.125955
  C      -2.280601     -2.157197      2.306934
  N      -2.763060     -2.626011      3.509771
  C      -2.291285     -2.079039      4.636598
  C      -0.943287     -1.651649      4.947807
  O      -0.627879     -0.990499      5.905682
  Cl      0.381847     -2.397537      3.913928
  C      -5.991159     -5.867798      4.932078
  C      -6.744226     -6.812908      5.679398
  C      -7.997808     -6.492669      6.156957
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  C      -6.539362     -4.544096      4.763367
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  C      -0.321920     -5.431377      5.987339
  C       0.008659     -5.090757      7.280306
  C      -0.893260     -4.366673      8.094918
  C      -2.140010     -4.042731      7.614997
  C      -2.535658     -4.439638      6.312753
  N      -3.752124     -4.116173      5.773223
  C      -4.755208     -3.775802      6.583066
  C      -5.060801     -4.474242      7.825401
  O      -4.622186     -5.508588      8.257694
  Cl     -6.420173     -3.614734      8.690322
  H      -2.035526     -3.271217     -0.938955
  H      -0.981349     -1.069311     -1.181573
  H      -0.865801      0.515017      0.740282
  H      -1.733496     -0.165615      2.963011
  H      -2.954697     -2.017463      5.495762
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  H      -8.556508     -7.232299      6.731751
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  H      -8.313138     -3.307384      5.014345
  H      -6.977719     -1.993425      4.551597
  H       0.423731     -5.921462      5.367772
  H       1.001523     -5.335245      7.659994
  H      -0.586538     -4.031100      9.085509
  H      -2.815373     -3.432439      8.212893
  H      -5.457657     -3.005153      6.286844
  N      -5.405847     -4.998965      2.125818
  H      -5.449826     -4.700209      1.158036
  H      -6.260217     -5.460020      2.430025
74
Coordinates from ORCA-job orca E -7298.845586053453
  N      -3.132933     -4.169630      1.434942
  C      -3.333815     -5.101984      0.327531
  C      -3.648604     -6.511730      0.859804
  N      -3.099671     -6.580837      2.230551
  C      -3.582815     -7.765663      3.010262
  C      -4.130389     -7.408878      4.403397
  N      -4.779104     -6.106503      4.383850
  Mo     -3.858510     -4.605729      3.349576
  N      -1.977013     -5.300222      4.166250
  C      -1.024383     -6.124407      3.428501
  C      -1.623649     -6.539165      2.112111
  H      -0.770242     -7.010941      4.033581
  H      -0.088075     -5.569656      3.252486
  H      -1.250892     -7.524210      1.788870
  H      -1.363939     -5.812556      1.338628
  H      -4.835288     -8.198205      4.697108
  H      -3.319769     -7.398205      5.148542
  H      -4.356828     -8.268076      2.416202
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  H      -2.439245     -5.177184     -0.308479
  H      -4.136691     -4.753252     -0.345619
  H      -3.176425     -7.277137      0.222382
  H      -4.719085     -6.709611      0.931392
  C      -2.433971     -3.034530      1.184662
  C      -1.909733     -2.640721     -0.072408
  C      -1.323681     -1.394747     -0.208114
  C      -1.256236     -0.494740      0.877616
  C      -1.737185     -0.869014      2.114962
  C      -2.274907     -2.162013      2.296870
  N      -2.767166     -2.625250      3.498470
  C      -2.312277     -2.073828      4.628059
  C      -0.971723     -1.629688      4.952721
  O      -0.677122     -0.952379      5.905703
  Cl      0.372369     -2.372417      3.944533
  C      -5.993935     -5.863471      4.930611
  C      -6.747038     -6.813222      5.672201
  C      -8.001014     -6.497355      6.151512
  C      -8.572757     -5.230590      5.906542
  C      -7.855133     -4.272288      5.221062
  C      -6.542854     -4.539297      4.770289
  N      -5.759234     -3.607057      4.070214
  C      -6.133929     -2.351442      3.986837
  C      -5.581820     -1.408537      3.024559
  O      -5.025371     -1.646354      1.984336
  Cl     -5.936676      0.286221      3.527915
  C      -1.598285     -5.066427      5.445010
  C      -0.321562     -5.415329      5.982211
  C       0.015733     -5.069818      7.272070
  C      -0.881768     -4.343108      8.089157
  C      -2.130667     -4.022501      7.613445
  C      -2.532843     -4.423935      6.314264
  N      -3.755343     -4.105311      5.788727
  C      -4.755658     -3.794934      6.610771
  C      -5.036558     -4.514380      7.848315
  O      -4.574736     -5.545373      8.263342
  Cl     -6.401496     -3.690001      8.737871
  H      -2.007227     -3.285601     -0.943236
  H      -0.950218     -1.086153     -1.185560
  H      -0.849568      0.505738      0.731427
  H      -1.735459     -0.167358      2.948986
  H      -2.985238     -2.019348      5.480324
  H      -6.326343     -7.794739      5.880828
  H      -8.559124     -7.241275      6.721244
  H      -9.577017     -5.004798      6.264008
  H      -8.315857     -3.303637      5.034456
  H      -6.989714     -1.985565      4.557272
  H       0.421704     -5.908171      5.362066
  H       1.010719     -5.312804      7.647137
  H      -0.570071     -4.003491      9.076784
  H      -2.805760     -3.411057      8.210967
  H      -5.475279     -3.033629      6.331879
  N      -5.404597     -4.978910      2.114140
  H      -5.455033     -4.667203      1.150160
  H      -6.261280     -5.437990      2.416746
74
Coordinates from ORCA-job orca E -7298.847449665435
  N      -3.125083     -4.176602      1.423303
  C      -3.316211     -5.113223      0.317171
  C      -3.641433     -6.518313      0.849425
  N      -3.108338     -6.587362      2.226384
  C      -3.610104     -7.767028      2.999661
  C      -4.133920     -7.405647      4.398564
  N      -4.778865     -6.100709      4.381154
  Mo     -3.867401     -4.603268      3.333686
  N      -1.979790     -5.297060      4.167029
  C      -1.034952     -6.137731      3.438838
  C      -1.631020     -6.555414      2.121566
  H      -0.793690     -7.023113      4.051209
  H      -0.090377     -5.597615      3.260735
  H      -1.261735     -7.544353      1.806130
  H      -1.361189     -5.834542      1.346058
  H      -4.838222     -8.191787      4.701555
  H      -3.314834     -7.396200      5.134270
  H      -4.406260     -8.241395      2.411891
  H      -2.796710     -8.499701      3.105269
  H      -2.416480     -5.177510     -0.312557
  H      -4.115187     -4.766108     -0.361973
  H      -3.167616     -7.287245      0.217263
  H      -4.714814     -6.709029      0.902692
  C      -2.422425     -3.042538      1.175761
  C      -1.889317     -2.652122     -0.078795
  C      -1.302758     -1.406294     -0.214919
  C      -1.243548     -0.502532      0.867776
  C      -1.733151     -0.873506      2.102886
  C      -2.270309     -2.166340      2.285703
  N      -2.772046     -2.624745      3.485635
  C      -2.337120     -2.064974      4.617362
  C      -1.007663     -1.593977      4.953880
  O      -0.738256     -0.900063      5.902223
  Cl      0.359841     -2.331727      3.977287
  C      -5.994151     -5.859519      4.930667
  C      -6.746783     -6.811447      5.670054
  C      -7.999959     -6.497128      6.153038
  C      -8.570819     -5.228901      5.915208
  C      -7.852820     -4.267848      5.233743
  C      -6.542642     -4.534965      4.776880
  N      -5.756431     -3.599331      4.087049
  C      -6.132789     -2.344336      3.998048
  C      -5.570217     -1.401272      3.042345
  O      -5.007279     -1.638467      2.005058
  Cl     -5.899538      0.294695      3.559292
  C      -1.599072     -5.053638      5.443617
  C      -0.319928     -5.399207      5.978672
  C       0.024151     -5.047810      7.265100
  C      -0.869123     -4.318534      8.084483
  C      -2.120841     -4.003018      7.613497
  C      -2.530102     -4.410255      6.318000
  N      -3.759989     -4.097501      5.807071
  C      -4.761702     -3.820944      6.636016
  C      -5.026789     -4.563082      7.865204
  O      -4.546747     -5.592221      8.263152
  Cl     -6.413368     -3.784226      8.761390
  H      -1.980931     -3.299245     -0.948589
  H      -0.923148     -1.101052     -1.191071
  H      -0.837807      0.498231      0.720995
  H      -1.739825     -0.168207      2.933837
  H      -3.020467     -2.018540      5.461592
  H      -6.327025     -7.794093      5.875051
  H      -8.557250     -7.243420      6.720479
  H      -9.574188     -5.003595      6.275560
  H      -8.311587     -3.296620      5.055629
  H      -6.990573     -1.977344      4.564780
  H       0.421177     -5.894276      5.357737
  H       1.021662     -5.288145      7.635234
  H      -0.552365     -3.973878      9.068752
  H      -2.796024     -3.390780      8.210462
  H      -5.500153     -3.073715      6.367136
  N      -5.402229     -4.960423      2.099846
  H      -5.458990     -4.634984      1.139965
  H      -6.260849     -5.419031      2.400053
74
Coordinates from ORCA-job orca E -7298.849032739809
  N      -3.115284     -4.181722      1.414114
  C      -3.299132     -5.121895      0.308793
  C      -3.636317     -6.521307      0.840369
  N      -3.119722     -6.591648      2.223265
  C      -3.640867     -7.765810      2.988997
  C      -4.137308     -7.400440      4.393987
  N      -4.779064     -6.093774      4.377481
  Mo     -3.874915     -4.598717      3.318641
  N      -1.983276     -5.294180      4.168486
  C      -1.048145     -6.152229      3.449947
  C      -1.641459     -6.570801      2.131998
  H      -0.821327     -7.036734      4.069419
  H      -0.094494     -5.628805      3.269597
  H      -1.277040     -7.563919      1.824051
  H      -1.360647     -5.855774      1.354891
  H      -4.839160     -8.183789      4.709094
  H      -3.308000     -7.390641      5.117969
  H      -4.460347     -8.208191      2.408511
  H      -2.848201     -8.523909      3.074404
  H      -2.392810     -5.175724     -0.312157
  H      -4.092960     -4.774081     -0.376230
  H      -3.161054     -7.294253      0.214251
  H      -4.711897     -6.704072      0.874079
  C      -2.407676     -3.049496      1.169930
  C      -1.864879     -2.662423     -0.081560
  C      -1.276497     -1.417274     -0.217023
  C      -1.225685     -0.510356      0.862947
  C      -1.725293     -0.877934      2.095215
  C      -2.262768     -2.170271      2.278134
  N      -2.776817     -2.624371      3.475042
  C      -2.364236     -2.058670      4.610622
  C      -1.047071     -1.563660      4.963633
  O      -0.805406     -0.850619      5.905072
  Cl      0.345277     -2.295633      4.021994
  C      -5.995926     -5.856420      4.926980
  C      -6.749140     -6.811154      5.661933
  C      -8.003631     -6.499582      6.143747
  C      -8.574420     -5.231049      5.909685
  C      -7.854836     -4.266802      5.234145
  C      -6.544656     -4.532782      4.777078
  N      -5.754377     -3.594590      4.097973
  C      -6.136530     -2.341298      4.001739
  C      -5.579235     -1.400387      3.041898
  O      -5.039899     -1.639073      1.992147
  Cl     -5.915136      0.296382      3.552111
  C      -1.598821     -5.042687      5.442402
  C      -0.317025     -5.386810      5.972702
  C       0.035952     -5.032311      7.255971
  C      -0.851956     -4.303053      8.080787
  C      -2.107016     -3.991205      7.616632
  C      -2.523686     -4.399186      6.323766
  N      -3.760450     -4.089574      5.830798
  C      -4.756452     -3.842285      6.670888
  C      -4.991594     -4.595153      7.901221
  O      -4.478619     -5.610320      8.292867
  Cl     -6.369662     -3.838692      8.827853
  H      -1.950802     -3.311162     -0.950639
  H      -0.889670     -1.115230     -1.191276
  H      -0.820014      0.490364      0.716232
  H      -1.741168     -0.168751      2.922622
  H      -3.059987     -2.021805      5.445065
  H      -6.329888     -7.794342      5.864910
  H      -8.561174     -7.248497      6.707324
  H      -9.578540     -5.007335      6.268768
  H      -8.312345     -3.294140      5.061069
  H      -6.993992     -1.975505      4.569662
  H       0.420322     -5.883714      5.348803
  H       1.036146     -5.271627      7.619345
  H      -0.529497     -3.957087      9.062661
  H      -2.782980     -3.381559      8.215872
  H      -5.511384     -3.106695      6.416258
  N      -5.400146     -4.940007      2.082741
  H      -5.461424     -4.600100      1.127815
  H      -6.260362     -5.399500      2.378642
74
Coordinates from ORCA-job orca E -7298.850487879753
  N      -3.105602     -4.189326      1.404789
  C      -3.283731     -5.132343      0.299410
  C      -3.632480     -6.526803      0.831312
  N      -3.131836     -6.598370      2.220047
  C      -3.672829     -7.766789      2.978368
  C      -4.138839     -7.397140      4.390185
  N      -4.778734     -6.089308      4.373596
  Mo     -3.879791     -4.597648      3.303518
  N      -1.985546     -5.291119      4.170583
  C      -1.060987     -6.167815      3.461683
  C      -1.652086     -6.588273      2.142873
  H      -0.849151     -7.050773      4.088941
  H      -0.098123     -5.662220      3.278459
  H      -1.292583     -7.585674      1.842871
  H      -1.360215     -5.879597      1.363984
  H      -4.835582     -8.178157      4.721588
  H      -3.296966     -7.384452      5.099346
  H      -4.516133     -8.174352      2.406523
  H      -2.903036     -8.550745      3.041468
  H      -2.369687     -5.177995     -0.310692
  H      -4.071868     -4.782835     -0.391412
  H      -3.155648     -7.304366      0.211586
  H      -4.710514     -6.702293      0.846154
  C      -2.395353     -3.057591      1.162850
  C      -1.844578     -2.673223     -0.086010
  C      -1.257317     -1.427367     -0.221507
  C      -1.216942     -0.516630      0.855271
  C      -1.725397     -0.881300      2.085066
  C      -2.260004     -2.174419      2.268870
  N      -2.785083     -2.626004      3.462990
  C      -2.395983     -2.053385      4.602428
  C      -1.093194     -1.530612      4.971594
  O      -0.881899     -0.796528      5.904087
  Cl      0.325972     -2.250024      4.064028
  C      -5.996264     -5.853476      4.924671
  C      -6.750169     -6.807926      5.659016
  C      -8.003897     -6.494668      6.142818
  C      -8.572050     -5.224736      5.911983
  C      -7.850617     -4.260254      5.238067
  C      -6.542611     -4.529527      4.777335
  N      -5.745883     -3.591416      4.106644
  C      -6.127179     -2.337073      4.007997
  C      -5.565587     -1.395753      3.051994
  O      -5.018134     -1.633083      2.005657
  Cl     -5.871983      0.301967      3.578432
  C      -1.597906     -5.029275      5.442021
  C      -0.312052     -5.368295      5.966527
  C       0.050972     -5.006749      7.245112
  C      -0.831756     -4.276976      8.074675
  C      -2.091875     -3.973263      7.619090
  C      -2.518036     -4.386965      6.330976
  N      -3.763864     -4.085052      5.856737
  C      -4.758956     -3.871027      6.702558
  C      -4.975226     -4.640661      7.927770
  O      -4.446086     -5.653739      8.302155
  Cl     -6.382768     -3.937445      8.850254
  H      -1.923792     -3.324128     -0.954165
  H      -0.864110     -1.127996     -1.194082
  H      -0.813567      0.484969      0.708026
  H      -1.751575     -0.167637      2.908306
  H      -3.103515     -2.029029      5.427347
  H      -6.333287     -7.792439      5.860633
  H      -8.562029     -7.243695      6.705732
  H      -9.575369     -4.999415      6.272459
  H      -8.305173     -3.285439      5.069125
  H      -6.982743     -1.970247      4.577959
  H       0.421925     -5.866367      5.339495
  H       1.055142     -5.241565      7.600569
  H      -0.502601     -3.926011      9.052587
  H      -2.768347     -3.365862      8.220322
  H      -5.533584     -3.153250      6.454354
  N      -5.398619     -4.924101      2.063895
  H      -5.463738     -4.568828      1.113973
  H      -6.259844     -5.385935      2.355286
74
Coordinates from ORCA-job orca E -7298.851806339974
  N      -3.094695     -4.196425      1.395717
  C      -3.267282     -5.140946      0.288901
  C      -3.628109     -6.530857      0.820714
  N      -3.144306     -6.604276      2.215331
  C      -3.706008     -7.766989      2.965200
  C      -4.140004     -7.394187      4.384028
  N      -4.778440     -6.085463      4.367633
  Mo     -3.882747     -4.597915      3.287478
  N      -1.988952     -5.287598      4.173066
  C      -1.075048     -6.183350      3.474150
  C      -1.663007     -6.605418      2.153810
  H      -0.879160     -7.064306      4.109515
  H      -0.102992     -5.696182      3.289187
  H      -1.308742     -7.607058      1.861703
  H      -1.359087     -5.903142      1.373746
  H      -4.829393     -8.173254      4.734477
  H      -3.284091     -7.377074      5.075919
  H      -4.572180     -8.137431      2.402321
  H      -2.960791     -8.576137      3.004698
  H      -2.343907     -5.184307     -0.307019
  H      -4.048013     -4.789038     -0.408632
  H      -3.149284     -7.312863      0.207811
  H      -4.707745     -6.699324      0.817386
  C      -2.382345     -3.064814      1.156342
  C      -1.823397     -2.682304     -0.089325
  C      -1.236862     -1.435700     -0.223351
  C      -1.206603     -0.522507      0.851298
  C      -1.724483     -0.885221      2.078081
  C      -2.257577     -2.178608      2.260636
  N      -2.794909     -2.628610      3.450735
  C      -2.429351     -2.047162      4.592400
  C      -1.143565     -1.489952      4.972746
  O      -0.962856     -0.742334      5.900812
  Cl      0.302132     -2.196205      4.100712
  C      -5.994917     -5.849417      4.922821
  C      -6.749244     -6.801654      5.659090
  C      -8.000061     -6.483350      6.148208
  C      -8.563726     -5.211201      5.920504
  C      -7.840674     -4.248705      5.244800
  C      -6.536195     -4.524173      4.778375
  N      -5.732960     -3.589624      4.111133
  C      -6.111228     -2.333471      4.011108
  C      -5.552582     -1.394695      3.051948
  O      -5.016952     -1.633627      1.999449
  Cl     -5.853290      0.304614      3.577616
  C      -1.599019     -5.016594      5.442951
  C      -0.308985     -5.350661      5.961197
  C       0.063781     -4.984010      7.235553
  C      -0.814396     -4.256324      8.071241
  C      -2.079897     -3.961212      7.625282
  C      -2.515400     -4.377955      6.340919
  N      -3.770541     -4.084483      5.885898
  C      -4.766596     -3.907040      6.734329
  C      -4.964221     -4.696083      7.952343
  O      -4.402570     -5.694126      8.318846
  Cl     -6.383979     -4.035940      8.885854
  H      -1.895478     -3.334681     -0.957040
  H      -0.836436     -1.138195     -1.193568
  H      -0.804284      0.479646      0.704932
  H      -1.759705     -0.168283      2.898147
  H      -3.146504     -2.037473      5.409089
  H      -6.336311     -7.788281      5.858641
  H      -8.558882     -7.230628      6.712794
  H      -9.564982     -4.982130      6.284432
  H      -8.291601     -3.271752      5.078476
  H      -6.961236     -1.963805      4.587332
  H       0.421947     -5.848438      5.330454
  H       1.072036     -5.214122      7.582535
  H      -0.479017     -3.902342      9.045956
  H      -2.757103     -3.358513      8.230531
  H      -5.563691     -3.211807      6.489865
  N      -5.396993     -4.909011      2.042356
  H      -5.464054     -4.537064      1.098479
  H      -6.258753     -5.374279      2.328055
74
Coordinates from ORCA-job orca E -7298.853081281033
  N      -3.083159     -4.204885      1.388813
  C      -3.250073     -5.150236      0.280027
  C      -3.624636     -6.535642      0.812591
  N      -3.157959     -6.609949      2.212996
  C      -3.740261     -7.766319      2.955413
  C      -4.143033     -7.390491      4.380323
  N      -4.779898     -6.081151      4.362483
  Mo     -3.885527     -4.599091      3.272252
  N      -1.994564     -5.283014      4.176392
  C      -1.090996     -6.197199      3.487693
  C      -1.675559     -6.622467      2.167045
  H      -0.909759     -7.074594      4.132277
  H      -0.110896     -5.727445      3.300514
  H      -1.326371     -7.628457      1.883954
  H      -1.359936     -5.927477      1.385088
  H      -4.823927     -8.167416      4.751335
  H      -3.273228     -7.367309      5.054316
  H      -4.627272     -8.099404      2.401792
  H      -3.020120     -8.598713      2.972252
  H      -2.316016     -5.198584     -0.298537
  H      -4.021191     -4.795049     -0.425565
  H      -3.143589     -7.322489      0.207419
  H      -4.705503     -6.697308      0.792457
  C      -2.369588     -3.072814      1.151816
  C      -1.802198     -2.692578     -0.090400
  C      -1.218839     -1.444104     -0.223539
  C      -1.202158     -0.527273      0.847913
  C      -1.729880     -0.887786      2.071530
  C      -2.257960     -2.182718      2.253972
  N      -2.807987     -2.632621      3.439827
  C      -2.468409     -2.044610      4.585206
  C      -1.201030     -1.456752      4.983485
  O      -1.055490     -0.689231      5.901317
  Cl      0.274359     -2.141175      4.147173
  C      -5.997083     -5.844948      4.916967
  C      -6.755278     -6.794713      5.651677
  C      -8.005656     -6.470750      6.139414
  C      -8.563687     -5.196644      5.910424
  C      -7.835651     -4.236551      5.235820
  C      -6.531905     -4.518500      4.771885
  N      -5.717892     -3.588792      4.111429
  C      -6.091799     -2.329762      4.011928
  C      -5.543773     -1.394330      3.044645
  O      -5.019372     -1.635496      1.986523
  Cl     -5.832414      0.307172      3.571824
  C      -1.598561     -5.003516      5.443733
  C      -0.302002     -5.331489      5.950256
  C       0.085100     -4.960539      7.219137
  C      -0.786644     -4.237919      8.065183
  C      -2.059535     -3.952883      7.634024
  C      -2.507829     -4.370432      6.354134
  N      -3.772620     -4.085180      5.923652
  C      -4.762971     -3.939582      6.779470
  C      -4.931543     -4.742869      7.994857
  O      -4.344017     -5.731718      8.344225
  Cl     -6.364165     -4.132036      8.939445
  H      -1.865123     -3.347497     -0.956964
  H      -0.810909     -1.148434     -1.191198
  H      -0.803140      0.476220      0.701722
  H      -1.776862     -0.166351      2.886939
  H      -3.197480     -2.051972      5.391370
  H      -6.347651     -7.783705      5.850801
  H      -8.568307     -7.215658      6.703333
  H      -9.564846     -4.963674      6.272194
  H      -8.282515     -3.257957      5.068056
  H      -6.933867     -1.957027      4.597529
  H       0.423993     -5.827611      5.312602
  H       1.098837     -5.185259      7.553534
  H      -0.442588     -3.882820      9.036472
  H      -2.736757     -3.358592      8.247804
  H      -5.579773     -3.263130      6.546282
  N      -5.396902     -4.895557      2.021466
  H      -5.463738     -4.505993      1.084387
  H      -6.258917     -5.364997      2.300546
74
Coordinates from ORCA-job orca E -7298.854276987504
  N      -3.071513     -4.214900      1.380299
  C      -3.231222     -5.159422      0.268527
  C      -3.620397     -6.541403      0.801108
  N      -3.170992     -6.616388      2.207519
  C      -3.773308     -7.766971      2.942460
  C      -4.148584     -7.389424      4.372742
  N      -4.782376     -6.078590      4.354875
  Mo     -3.887340     -4.604207      3.254528
  N      -2.002733     -5.277079      4.178463
  C      -1.107235     -6.208146      3.499420
  C      -1.687562     -6.639452      2.178572
  H      -0.937906     -7.080482      4.153904
  H      -0.120936     -5.752821      3.310144
  H      -1.342389     -7.649591      1.905592
  H      -1.360274     -5.952420      1.394415
  H      -4.821100     -8.163810      4.763601
  H      -3.265854     -7.360769      5.029285
  H      -4.677865     -8.064586      2.397192
  H      -3.076842     -8.619406      2.938635
  H      -2.286355     -5.219101     -0.291113
  H      -3.990862     -4.800006     -0.446207
  H      -3.136787     -7.332314      0.203359
  H      -4.701863     -6.697008      0.767128
  C      -2.357403     -3.081482      1.146932
  C      -1.780233     -2.702915     -0.090739
  C      -1.200068     -1.452314     -0.221333
  C      -1.197972     -0.532830      0.847630
  C      -1.736684     -0.891990      2.067291
  C      -2.260218     -2.188418      2.247751
  N      -2.824148     -2.639671      3.428197
  C      -2.513097     -2.046341      4.577958
  C      -1.267519     -1.425431      4.996614
  O      -1.160729     -0.645143      5.908815
  Cl      0.239797     -2.082834      4.199319
  C      -5.997579     -5.838275      4.912430
  C      -6.760460     -6.782695      5.648214
  C      -8.006925     -6.447573      6.139804
  C      -8.555052     -5.169330      5.911250
  C      -7.821309     -4.214842      5.233887
  C      -6.520996     -4.508412      4.768338
  N      -5.696865     -3.588253      4.107889
  C      -6.062389     -2.324610      4.011176
  C      -5.530572     -1.395763      3.030013
  O      -5.025335     -1.642278      1.963296
  Cl     -5.812673      0.309605      3.550798
  C      -1.600913     -4.988639      5.444166
  C      -0.296348     -5.306244      5.937771
  C       0.104964     -4.930386      7.200806
  C      -0.761749     -4.216091      8.058235
  C      -2.043033     -3.945009      7.643603
  C      -2.504513     -4.364409      6.368715
  N      -3.779587     -4.091182      5.964310
  C      -4.766087     -3.982215      6.824675
  C      -4.905949     -4.804625      8.033661
  O      -4.283836     -5.776739      8.368715
  Cl     -6.346903     -4.245223      8.994433
  H      -1.832264     -3.360435     -0.956089
  H      -0.783190     -1.157723     -1.185495
  H      -0.801563      0.471902      0.702946
  H      -1.795151     -0.167073      2.878762
  H      -3.254770     -2.074474      5.372541
  H      -6.361374     -7.775759      5.844722
  H      -8.574460     -7.187476      6.705397
  H      -9.554048     -4.928742      6.274063
  H      -8.261798     -3.233705      5.063883
  H      -6.891471     -1.945553      4.610906
  H       0.426125     -5.797700      5.292813
  H       1.125077     -5.146320      7.521302
  H      -0.409322     -3.859295      9.025910
  H      -2.720428     -3.361456      8.267613
  H      -5.606498     -3.331018      6.600580
  N      -5.397281     -4.885669      1.999261
  H      -5.461682     -4.477392      1.070200
  H      -6.259718     -5.359103      2.270772
74
Coordinates from ORCA-job orca E -7298.855347707755
  N      -3.060776     -4.226241      1.371823
  C      -3.211657     -5.170194      0.257990
  C      -3.616666     -6.548902      0.790424
  N      -3.183916     -6.623265      2.202837
  C      -3.804643     -7.767991      2.932006
  C      -4.157269     -7.388859      4.366621
  N      -4.786509     -6.075754      4.348792
  Mo     -3.890036     -4.611045      3.236932
  N      -2.013948     -5.270180      4.179924
  C      -1.124213     -6.215990      3.510179
  C      -1.700148     -6.656769      2.190538
  H      -0.963089     -7.081716      4.175256
  H      -0.133700     -5.771707      3.317755
  H      -1.358508     -7.671332      1.929929
  H      -1.361464     -5.979525      1.402770
  H      -4.823309     -8.160024      4.774455
  H      -3.263817     -7.355962      5.008174
  H      -4.723710     -8.034052      2.394599
  H      -3.129805     -8.637451      2.910555
  H      -2.256913     -5.243260     -0.283149
  H      -3.958533     -4.806222     -0.467116
  H      -3.130705     -7.343669      0.199878
  H      -4.698595     -6.698722      0.745734
  C      -2.346197     -3.091109      1.142697
  C      -1.757507     -2.714897     -0.089658
  C      -1.180300     -1.462253     -0.217534
  C      -1.193700     -0.539806      0.848479
  C      -1.744559     -0.897102      2.063703
  C      -2.264309     -2.194735      2.241848
  N      -2.842603     -2.646712      3.416403
  C      -2.561659     -2.047809      4.569987
  C      -1.340801     -1.391627      5.009267
  O      -1.275512     -0.601798      5.917032
  Cl      0.199096     -2.018516      4.254291
  C      -6.000689     -5.830276      4.906617
  C      -6.771266     -6.769157      5.640478
  C      -8.014919     -6.422099      6.132458
  C      -8.551179     -5.139174      5.903307
  C      -7.809020     -4.190637      5.225555
  C      -6.510949     -4.496539      4.762376
  N      -5.674502     -3.586709      4.104421
  C      -6.028380     -2.316848      4.012714
  C      -5.513223     -1.396497      3.016580
  O      -5.025477     -1.649873      1.942654
  Cl     -5.790002      0.313822      3.527505
  C      -1.604124     -4.972570      5.443341
  C      -0.289795     -5.276362      5.920405
  C       0.127967     -4.895441      7.176604
  C      -0.733244     -4.192403      8.048002
  C      -2.024089     -3.938145      7.653193
  C      -2.500753     -4.359660      6.384371
  N      -3.786452     -4.100540      6.009727
  C      -4.765565     -4.030001      6.877265
  C      -4.870253     -4.872047      8.079432
  O      -4.215482     -5.828999      8.393975
  Cl     -6.315575     -4.367717      9.061177
  H      -1.797205     -3.376025     -0.952947
  H      -0.753063     -1.169160     -1.177624
  H      -0.799144      0.465903      0.705467
  H      -1.814324     -0.168943      2.871319
  H      -3.315755     -2.096784      5.352171
  H      -6.382173     -7.766856      5.834083
  H      -8.589889     -7.156664      6.697494
  H      -9.548924     -4.890389      6.264144
  H      -8.241841     -3.206733      5.051800
  H      -6.841835     -1.929675      4.628203
  H       0.429060     -5.760479      5.266105
  H       1.155520     -5.100117      7.480249
  H      -0.371243     -3.833937      9.011559
  H      -2.700855     -3.367462      8.289878
  H      -5.629234     -3.403873      6.668226
  N      -5.398892     -4.878123      1.980221
  H      -5.459084     -4.451580      1.059357
  H      -6.262664     -5.353880      2.243877
74
Coordinates from ORCA-job orca E -7298.856312424787
  N      -3.050335     -4.237018      1.361600
  C      -3.190965     -5.181292      0.247134
  C      -3.612099     -6.556286      0.778372
  N      -3.196158     -6.629793      2.197134
  C      -3.834149     -7.768651      2.920878
  C      -4.168224     -7.388524      4.359028
  N      -4.791421     -6.072436      4.342245
  Mo     -3.893224     -4.618585      3.218041
  N      -2.028063     -5.262344      4.180401
  C      -1.141491     -6.220698      3.520354
  C      -1.712462     -6.673796      2.202290
  H      -0.985692     -7.078800      4.196238
  H      -0.148393     -5.784224      3.324464
  H      -1.374367     -7.693123      1.956255
  H      -1.361619     -6.008311      1.409883
  H      -4.829986     -8.156190      4.780005
  H      -3.266067     -7.353599      4.988119
  H      -4.764917     -8.007108      2.390319
  H      -3.179222     -8.652771      2.884484
  H      -2.227524     -5.266059     -0.276876
  H      -3.924276     -4.813201     -0.489370
  H      -3.123993     -7.354477      0.194720
  H      -4.693944     -6.700197      0.724723
  C      -2.334959     -3.100252      1.137948
  C      -1.734522     -2.725722     -0.088744
  C      -1.159367     -1.471501     -0.213159
  C      -1.187187     -0.546955      0.850396
  C      -1.749528     -0.903132      2.061002
  C      -2.266120     -2.201990      2.236376
  N      -2.857406     -2.655431      3.404867
  C      -2.604230     -2.057931      4.564260
  C      -1.405629     -1.376431      5.027785
  O      -1.378625     -0.578406      5.930240
  Cl      0.161803     -1.971444      4.308524
  C      -6.003569     -5.820219      4.901902
  C      -6.781993     -6.752639      5.634721
  C      -8.021269     -6.392248      6.129719
  C      -8.544178     -5.103950      5.901631
  C      -7.793500     -4.162214      5.222528
  C      -6.499023     -4.481830      4.759342
  N      -5.652440     -3.583409      4.101001
  C      -5.994541     -2.307419      4.014554
  C      -5.503072     -1.398276      2.998505
  O      -5.036476     -1.660910      1.916688
  Cl     -5.771671      0.318379      3.496528
  C      -1.610998     -4.952789      5.441465
  C      -0.286455     -5.237695      5.902186
  C       0.146554     -4.849355      7.151010
  C      -0.710862     -4.159718      8.035814
  C      -2.011373     -3.926300      7.660536
  C      -2.502002     -4.352264      6.398387
  N      -3.798609     -4.111255      6.054012
  C      -4.769435     -4.085734      6.928331
  C      -4.833996     -4.949139      8.121377
  O      -4.142233     -5.886179      8.414351
  Cl     -6.282593     -4.507758      9.126102
  H      -1.762685     -3.389984     -0.950050
  H      -0.722132     -1.179315     -1.168986
  H      -0.794187      0.459636      0.709520
  H      -1.830260     -0.172405      2.865087
  H      -3.369088     -2.130040      5.334702
  H      -6.403714     -7.755364      5.824043
  H      -8.603727     -7.120904      6.694651
  H      -9.539718     -4.845892      6.262060
  H      -8.217327     -3.174978      5.045591
  H      -6.788494     -1.911778      4.649515
  H       0.430343     -5.712311      5.239028
  H       1.181747     -5.039216      7.437637
  H      -0.340548     -3.797836      8.994921
  H      -2.688336     -3.369630      8.309416
  H      -5.659391     -3.490932      6.734947
  N      -5.400717     -4.871564      1.961451
  H      -5.455041     -4.428395      1.048418
  H      -6.267128     -5.347336      2.216579
74
Coordinates from ORCA-job orca E -7298.857199592113
  N      -3.041070     -4.248185      1.350079
  C      -3.170407     -5.195332      0.237206
  C      -3.607412     -6.566237      0.768330
  N      -3.207441     -6.637126      2.193263
  C      -3.860905     -7.769686      2.913367
  C      -4.180400     -7.387755      4.354186
  N      -4.797353     -6.068620      4.337647
  Mo     -3.897497     -4.626670      3.199402
  N      -2.044048     -5.254352      4.180639
  C      -1.158121     -6.222431      3.530609
  C      -1.724168     -6.691037      2.215311
  H      -1.004096     -7.071809      4.217582
  H      -0.164278     -5.790267      3.329950
  H      -1.389554     -7.715481      1.986536
  H      -1.361378     -6.039707      1.416517
  H      -4.840022     -8.151808      4.784882
  H      -3.271584     -7.351915      4.973618
  H      -4.800906     -7.985506      2.388829
  H      -3.223757     -8.666257      2.865437
  H      -2.199148     -5.288538     -0.271309
  H      -3.889920     -4.824750     -0.511821
  H      -3.117665     -7.368562      0.191893
  H      -4.689998     -6.704425      0.707152
  C      -2.325150     -3.109755      1.131499
  C      -1.713512     -2.736684     -0.089790
  C      -1.140329     -1.481001     -0.211216
  C      -1.180913     -0.554483      0.850044
  C      -1.753644     -0.909598      2.056376
  C      -2.268588     -2.209215      2.228755
  N      -2.871159     -2.663306      3.391379
  C      -2.644256     -2.068300      4.555643
  C      -1.469404     -1.357110      5.038017
  O      -1.478866     -0.560817      5.942307
  Cl      0.122786     -1.916294      4.349750
  C      -6.009790     -5.810602      4.894942
  C      -6.797922     -6.737481      5.623494
  C      -8.034810     -6.365405      6.117578
  C      -8.544426     -5.072025      5.890037
  C      -7.783662     -4.135981      5.212776
  C      -6.491280     -4.467849      4.752953
  N      -5.632454     -3.578821      4.100179
  C      -5.959395     -2.295468      4.023265
  C      -5.480789     -1.394244      2.996531
  O      -5.023993     -1.662058      1.910941
  Cl     -5.746664      0.327096      3.484598
  C      -1.619939     -4.932171      5.439126
  C      -0.284980     -5.195826      5.882030
  C       0.163821     -4.800161      7.123077
  C      -0.689561     -4.125636      8.022235
  C      -1.999754     -3.914774      7.667390
  C      -2.504857     -4.345702      6.412567
  N      -3.812460     -4.123087      6.100104
  C      -4.771448     -4.143881      6.982800
  C      -4.792066     -5.026423      8.166864
  O      -4.065003     -5.943085      8.436326
  Cl     -6.236669     -4.644414      9.199607
  H      -1.731083     -3.404129     -0.948998
  H      -0.693811     -1.189726     -1.163064
  H      -0.788811      0.452773      0.711158
  H      -1.843592     -0.177044      2.857841
  H      -3.416167     -2.166251      5.316712
  H      -6.430026     -7.744883      5.809138
  H      -8.625930     -7.089069      6.679948
  H      -9.538982     -4.805613      6.247294
  H      -8.197959     -3.145224      5.032754
  H      -6.734104     -1.892285      4.676748
  H       0.429704     -5.659167      5.208792
  H       1.206748     -4.973767      7.391357
  H      -0.310941     -3.760322      8.976841
  H      -2.676814     -3.373310      8.329117
  H      -5.685650     -3.579594      6.808412
  N      -5.403555     -4.867598      1.944518
  H      -5.451312     -4.410594      1.037697
  H      -6.273945     -5.341024      2.191404
74
Coordinates from ORCA-job orca E -7298.858087968837
  N      -3.029979     -4.255509      1.336233
  C      -3.147440     -5.207033      0.226700
  C      -3.600562     -6.572696      0.757021
  N      -3.217258     -6.641640      2.188410
  C      -3.885931     -7.767658      2.904367
  C      -4.194171     -7.384410      4.347244
  N      -4.803202     -6.061732      4.332222
  Mo     -3.900902     -4.632598      3.179061
  N      -2.063141     -5.246228      4.179997
  C      -1.175177     -6.221505      3.541020
  C      -1.735056     -6.706640      2.228438
  H      -1.020908     -7.061700      4.238764
  H      -0.181860     -5.790791      3.335994
  H      -1.405276     -7.736602      2.018564
  H      -1.358777     -6.071480      1.422878
  H      -4.853930     -8.144646      4.784321
  H      -3.280072     -7.350287      4.959005
  H      -4.832547     -7.965003      2.383907
  H      -3.264694     -8.674850      2.847875
  H      -2.168947     -5.306458     -0.267293
  H      -3.851964     -4.835090     -0.536176
  H      -3.109892     -7.379338      0.188015
  H      -4.683208     -6.704212      0.689160
  C      -2.312179     -3.116741      1.123551
  C      -1.690352     -2.744265     -0.092564
  C      -1.117342     -1.488042     -0.210157
  C      -1.167399     -0.560985      0.850120
  C      -1.748740     -0.916015      2.052469
  C      -2.263721     -2.215962      2.220923
  N      -2.875787     -2.671328      3.377371
  C      -2.672339     -2.086142      4.548666
  C      -1.518013     -1.354583      5.053539
  O      -1.560791     -0.559688      5.957882
  Cl      0.094844     -1.878504      4.391510
  C      -6.012790     -5.797457      4.892799
  C      -6.806791     -6.718275      5.621637
  C      -8.037632     -6.334001      6.123051
  C      -8.534458     -5.035508      5.899399
  C      -7.767362     -4.105984      5.218896
  C      -6.479953     -4.450448      4.754947
  N      -5.614955     -3.572104      4.099450
  C      -5.932598     -2.283662      4.025779
  C      -5.482288     -1.397361      2.976293
  O      -5.046444     -1.677366      1.884406
  Cl     -5.751031      0.331309      3.441226
  C      -1.634421     -4.911053      5.437063
  C      -0.289336     -5.150028      5.862361
  C       0.174045     -4.746928      7.095732
  C      -0.676443     -4.090070      8.009053
  C      -1.995901     -3.904393      7.674044
  C      -2.514316     -4.340977      6.426774
  N      -3.832603     -4.136390      6.145539
  C      -4.779329     -4.207007      7.034065
  C      -4.760159     -5.111623      8.204915
  O      -4.004923     -6.012452      8.446522
  Cl     -6.208315     -4.798854      9.254313
  H      -1.700168     -3.413617     -0.950446
  H      -0.662929     -1.196873     -1.158244
  H      -0.775074      0.446501      0.713857
  H      -1.845980     -0.182951      2.852540
  H      -3.450677     -2.210145      5.299914
  H      -6.448551     -7.730349      5.800950
  H      -8.634214     -7.052436      6.686235
  H      -9.525633     -4.760239      6.259301
  H      -8.172407     -3.111693      5.037369
  H      -6.683798     -1.872607      4.701136
  H       0.424140     -5.599357      5.178676
  H       1.224369     -4.901975      7.345476
  H      -0.290996     -3.720913      8.959390
  H      -2.673540     -3.379367      8.348295
  H      -5.716011     -3.674289      6.876126
  N      -5.405823     -4.861806      1.925274
  H      -5.444663     -4.394859      1.023189
  H      -6.281824     -5.329875      2.162818
74
Coordinates from ORCA-job orca E -7298.858971080882
  N      -3.019540     -4.263551      1.319942
  C      -3.125335     -5.222221      0.215951
  C      -3.592950     -6.582155      0.747766
  N      -3.224466     -6.647373      2.184855
  C      -3.906326     -7.766943      2.898198
  C      -4.208880     -7.381060      4.341931
  N      -4.810783     -6.055143      4.326911
  Mo     -3.904952     -4.639634      3.158164
  N      -2.082972     -5.237807      4.178585
  C      -1.189513     -6.216506      3.550503
  C      -1.743176     -6.720946      2.241473
  H      -1.030586     -7.046860      4.258567
  H      -0.198821     -5.783037      3.339737
  H      -1.417527     -7.756094      2.051807
  H      -1.355201     -6.103091      1.427963
  H      -4.870851     -8.137779      4.781618
  H      -3.291923     -7.349667      4.949688
  H      -4.856386     -7.952237      2.379100
  H      -3.297198     -8.682153      2.838297
  H      -2.140275     -5.324230     -0.265320
  H      -3.815243     -4.851590     -0.561494
  H      -3.102203     -7.394311      0.186709
  H      -4.676701     -6.707499      0.674307
  C      -2.300554     -3.124638      1.111845
  C      -1.670544     -2.752738     -0.100231
  C      -1.099453     -1.495444     -0.215880
  C      -1.158698     -0.566747      0.842650
  C      -1.746623     -0.921349      2.042013
  C      -2.259893     -2.222255      2.208597
  N      -2.878781     -2.678689      3.359992
  C      -2.698919     -2.105506      4.539008
  C      -1.565681     -1.353802      5.067361
  O      -1.643021     -0.559446      5.969585
  Cl      0.067185     -1.833947      4.426778
  C      -6.019862     -5.785347      4.887014
  C      -6.820699     -6.700321      5.614796
  C      -8.046387     -6.304665      6.121767
  C      -8.530168     -5.000917      5.902871
  C      -7.755902     -4.077213      5.221187
  C      -6.473645     -4.433832      4.752593
  N      -5.600642     -3.563797      4.099475
  C      -5.904953     -2.269000      4.034164
  C      -5.463226     -1.390722      2.977037
  O      -5.022093     -1.675223      1.887678
  Cl     -5.725560      0.342712      3.433262
  C      -1.651803     -4.889105      5.435147
  C      -0.296895     -5.099838      5.843113
  C       0.179116     -4.690966      7.070038
  C      -0.670448     -4.056831      7.998332
  C      -1.998642     -3.898979      7.681951
  C      -2.527812     -4.339225      6.440837
  N      -3.856661     -4.152669      6.190316
  C      -4.788616     -4.275403      7.084207
  C      -4.727344     -5.200407      8.241172
  O      -3.935567     -6.074158      8.462048
  Cl     -6.160621     -4.939705      9.323697
  H      -1.673626     -3.424393     -0.956565
  H      -0.639125     -1.204509     -1.161226
  H      -0.767660      0.441409      0.707343
  H      -1.851113     -0.187561      2.840470
  H      -3.483874     -2.255325      5.279225
  H      -6.471972     -7.716739      5.788793
  H      -8.648663     -7.018467      6.684808
  H      -9.517940     -4.716810      6.265469
  H      -8.150561     -3.078517      5.040369
  H      -6.635336     -1.852077      4.728245
  H       0.416405     -5.531515      5.148107
  H       1.236437     -4.825274      7.301524
  H      -0.280449     -3.685266      8.945908
  H      -2.678506     -3.393755      8.369117
  H      -5.745877     -3.773888      6.943079
  N      -5.409871     -4.861192      1.905544
  H      -5.439110     -4.390241      1.004518
  H      -6.292435     -5.321662      2.134752
74
Coordinates from ORCA-job orca E -7298.859767344075
  N      -3.009738     -4.269007      1.304189
  C      -3.105641     -5.236668      0.207067
  C      -3.585930     -6.589547      0.742348
  N      -3.230237     -6.650869      2.183914
  C      -3.924552     -7.764070      2.894569
  C      -4.225176     -7.375204      4.337831
  N      -4.819919     -6.046165      4.322099
  Mo     -3.909048     -4.644042      3.138776
  N      -2.102655     -5.229117      4.178406
  C      -1.201308     -6.207560      3.560105
  C      -1.749590     -6.731836      2.255399
  H      -1.033391     -7.028053      4.277274
  H      -0.215082     -5.767955      3.341872
  H      -1.428804     -7.771919      2.085685
  H      -1.351665     -6.131472      1.433594
  H      -4.891029     -8.128578      4.777269
  H      -3.307229     -7.348482      4.944564
  H      -4.875190     -7.940957      2.373593
  H      -3.324626     -8.685409      2.835306
  H      -2.114921     -5.341149     -0.262786
  H      -3.782007     -4.869968     -0.584425
  H      -3.096869     -7.408771      0.190023
  H      -4.670652     -6.708147      0.663388
  C      -2.288165     -3.131579      1.099287
  C      -1.651130     -2.760873     -0.109510
  C      -1.078301     -1.504159     -0.222832
  C      -1.141078     -0.574895      0.835332
  C      -1.734870     -0.928237      2.032264
  C      -2.252031     -2.227859      2.195787
  N      -2.877154     -2.684297      3.342411
  C      -2.715283     -2.123957      4.528488
  C      -1.602506     -1.348153      5.071059
  O      -1.707850     -0.567807      5.982126
  Cl      0.045550     -1.786116      4.445389
  C      -6.027609     -5.771169      4.883358
  C      -6.832917     -6.680125      5.612868
  C      -8.051851     -6.273312      6.128815
  C      -8.523215     -4.964342      5.916795
  C      -7.743852     -4.046555      5.232013
  C      -6.468927     -4.415240      4.753363
  N      -5.590361     -3.553197      4.099196
  C      -5.882878     -2.253642      4.038827
  C      -5.448467     -1.384365      2.973415
  O      -5.015726     -1.675326      1.881953
  Cl     -5.728214      0.352573      3.410112
  C      -1.670955     -4.866125      5.434895
  C      -0.306844     -5.046307      5.826022
  C       0.179723     -4.632586      7.047475
  C      -0.670256     -4.024029      7.990456
  C      -2.006186     -3.895329      7.691230
  C      -2.543713     -4.338129      6.455187
  N      -3.882451     -4.169087      6.233572
  C      -4.797914     -4.347930      7.131220
  C      -4.693847     -5.296912      8.268470
  O      -3.878219     -6.156328      8.452705
  Cl     -6.125826     -5.112519      9.366655
  H      -1.650764     -3.433601     -0.965208
  H      -0.612560     -1.214037     -1.165803
  H      -0.747193      0.432380      0.701529
  H      -1.841283     -0.195174      2.831131
  H      -3.502205     -2.299369      5.261705
  H      -6.493440     -7.700643      5.781474
  H      -8.657662     -6.982713      6.693642
  H      -9.505877     -4.671095      6.286110
  H      -8.128448     -3.043256      5.054680
  H      -6.593336     -1.830691      4.749476
  H       0.406599     -5.458118      5.119359
  H       1.243243     -4.744718      7.261613
  H      -0.277675     -3.650836      8.936353
  H      -2.689079     -3.411642      8.390881
  H      -5.773813     -3.876596      7.007965
  N      -5.416057     -4.860632      1.885779
  H      -5.434851     -4.392727      0.982062
  H      -6.305513     -5.311514      2.107946
74
Coordinates from ORCA-job orca E -7298.860457028424
  N      -2.999781     -4.273633      1.291979
  C      -3.087029     -5.249174      0.200629
  C      -3.579151     -6.594302      0.739909
  N      -3.235571     -6.652788      2.185270
  C      -3.942977     -7.759962      2.891867
  C      -4.244277     -7.368329      4.333370
  N      -4.831701     -6.036333      4.315229
  Mo     -3.913652     -4.646257      3.121321
  N      -2.121928     -5.222020      4.180943
  C      -1.211892     -6.197942      3.570993
  C      -1.755585     -6.741365      2.271175
  H      -1.032160     -7.008635      4.296243
  H      -0.231204     -5.750485      3.343931
  H      -1.441162     -7.786269      2.120765
  H      -1.348301     -6.158181      1.441689
  H      -4.914949     -8.118260      4.771468
  H      -3.326955     -7.347053      4.941652
  H      -4.892362     -7.928571      2.366181
  H      -3.350807     -8.686501      2.835219
  H      -2.091410     -5.358391     -0.258253
  H      -3.751610     -4.886904     -0.602777
  H      -3.093474     -7.421936      0.197048
  H      -4.664224     -6.705010      0.654198
  C      -2.275429     -3.138097      1.089459
  C      -1.632162     -2.769281     -0.116438
  C      -1.057971     -1.513035     -0.228173
  C      -1.124727     -0.582600      0.828856
  C      -1.723972     -0.934172      2.023711
  C      -2.243544     -2.232737      2.185674
  N      -2.874103     -2.689804      3.328433
  C      -2.725585     -2.142148      4.521505
  C      -1.628484     -1.350305      5.077640
  O      -1.757148     -0.574905      5.989504
  Cl      0.030968     -1.752121      4.463036
  C      -6.037235     -5.756525      4.878273
  C      -6.845870     -6.660241      5.609750
  C      -8.057298     -6.242971      6.136135
  C      -8.516618     -4.928747      5.932957
  C      -7.733062     -4.016467      5.244943
  C      -6.466522     -4.396691      4.753950
  N      -5.584314     -3.542909      4.095353
  C      -5.868969     -2.241089      4.034814
  C      -5.447772     -1.380622      2.957948
  O      -5.014320     -1.678569      1.868582
  Cl     -5.719101      0.360588      3.385987
  C      -1.690581     -4.843562      5.436587
  C      -0.318045     -4.991610      5.811463
  C       0.176705     -4.572711      7.028105
  C      -0.674692     -3.990775      7.984922
  C      -2.017031     -3.891247      7.701297
  C      -2.560718     -4.336754      6.469448
  N      -3.907792     -4.184540      6.273146
  C      -4.805404     -4.423416      7.171816
  C      -4.657283     -5.403236      8.279687
  O      -3.812136     -6.240559      8.425945
  Cl     -6.065231     -5.280199      9.414712
  H      -1.628598     -3.442890     -0.971541
  H      -0.587408     -1.224036     -1.169074
  H      -0.728742      0.423914      0.695661
  H      -1.832929     -0.200985      2.821970
  H      -3.514607     -2.336113      5.248148
  H      -6.515837     -7.684841      5.772516
  H      -8.665672     -6.948640      6.702849
  H      -9.493286     -4.626635      6.310929
  H      -8.108533     -3.008759      5.073096
  H      -6.562064     -1.812036      4.758536
  H       0.395609     -5.383014      5.093616
  H       1.245431     -4.661547      7.226384
  H      -0.280928     -3.616106      8.929742
  H      -2.702941     -3.428844      8.412297
  H      -5.797999     -3.981203      7.069758
  N      -5.422956     -4.858274      1.865797
  H      -5.430332     -4.398762      0.957322
  H      -6.319097     -5.298713      2.082078
74
Coordinates from ORCA-job orca E -7298.861089695577
  N      -2.989595     -4.281207      1.284692
  C      -3.069571     -5.263240      0.197620
  C      -3.572607     -6.601054      0.742220
  N      -3.239789     -6.656485      2.190276
  C      -3.960965     -7.757732      2.892367
  C      -4.265211     -7.362242      4.330995
  N      -4.845538     -6.027267      4.307569
  Mo     -3.917399     -4.648511      3.107295
  N      -2.135971     -5.216579      4.187335
  C      -1.218545     -6.189383      3.583563
  C      -1.760233     -6.752576      2.289609
  H      -1.024583     -6.989796      4.316461
  H      -0.244103     -5.733823      3.345323
  H      -1.453364     -7.802223      2.158553
  H      -1.344767     -6.186683      1.452306
  H      -4.941240     -8.108174      4.767834
  H      -3.350102     -7.345805      4.943278
  H      -4.908108     -7.917189      2.360191
  H      -3.375788     -8.689001      2.839753
  H      -2.070089     -5.378493     -0.251571
  H      -3.725954     -4.905412     -0.614262
  H      -3.092542     -7.438760      0.209464
  H      -4.658193     -6.702901      0.648958
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  C      -1.723752     -0.937636      2.012985
  C      -2.239325     -2.237084      2.177307
  N      -2.873594     -2.695414      3.318184
  C      -2.737184     -2.154793      4.516016
  C      -1.654654     -1.347593      5.082433
  O      -1.805356     -0.569771      5.988611
  Cl      0.015012     -1.715011      4.477292
  C      -6.049352     -5.740434      4.870932
  C      -6.863145     -6.638006      5.603776
  C      -8.066552     -6.208696      6.139925
  C      -8.511683     -4.888493      5.946168
  C      -7.722709     -3.982731      5.254965
  C      -6.465548     -4.376048      4.751378
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  C      -5.422499     -1.370091      2.950330
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  C       0.173904     -4.515081      7.014525
  C      -0.680385     -3.960591      7.983993
  C      -2.027617     -3.888676      7.713431
  C      -2.574257     -4.335469      6.483790
  N      -3.928062     -4.199339      6.308232
  C      -4.806759     -4.501954      7.204394
  C      -4.610896     -5.515515      8.274998
  O      -3.742276     -6.335707      8.370370
  Cl     -5.996213     -5.469644      9.440338
  H      -1.607694     -3.455552     -0.974558
  H      -0.571378     -1.234723     -1.173648
  H      -0.726733      0.418875      0.684082
  H      -1.839063     -0.201964      2.807886
  H      -3.528583     -2.360909      5.236898
  H      -6.544778     -7.667047      5.761757
  H      -8.678585     -6.909972      6.708213
  H      -9.481429     -4.576050      6.333471
  H      -8.088209     -2.970110      5.090625
  H      -6.531899     -1.790309      4.756912
  H       0.388528     -5.309203      5.073085
  H       1.246631     -4.580601      7.199734
  H      -0.287112     -3.585815      8.929017
  H      -2.717183     -3.448047      8.434725
  H      -5.814708     -4.089485      7.126775
  N      -5.428514     -4.856618      1.849014
  H      -5.425231     -4.410714      0.933858
  H      -6.330712     -5.285922      2.062500
74
Coordinates from ORCA-job orca E -7298.861672832769
  N      -2.980748     -4.287749      1.281601
  C      -3.052255     -5.273696      0.196931
  C      -3.564992     -6.605191      0.745959
  N      -3.243126     -6.658614      2.196672
  C      -3.977804     -7.754988      2.892880
  C      -4.287418     -7.355340      4.327482
  N      -4.861423     -6.018001      4.296133
  Mo     -3.922458     -4.647794      3.094613
  N      -2.148291     -5.212509      4.196376
  C      -1.224139     -6.180774      3.597450
  C      -1.764629     -6.763424      2.309796
  H      -1.014165     -6.970469      4.337413
  H      -0.256655     -5.716165      3.347519
  H      -1.466919     -7.817798      2.198452
  H      -1.340214     -6.215146      1.465315
  H      -4.968875     -8.097008      4.763314
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  H      -4.921695     -7.905737      2.352880
  H      -3.397891     -8.689759      2.845133
  H      -2.049673     -5.395372     -0.243351
  H      -3.703940     -4.920115     -0.620264
  H      -3.091921     -7.453486      0.223605
  H      -4.650508     -6.697170      0.644378
  C      -2.255572     -3.152065      1.079884
  C      -1.603435     -2.788130     -0.121547
  C      -1.034040     -1.529262     -0.234833
  C      -1.115027     -0.593447      0.815757
  C      -1.722374     -0.941262      2.008321
  C      -2.236351     -2.240636      2.173263
  N      -2.874117     -2.700812      3.312412
  C      -2.742013     -2.164088      4.512681
  C      -1.670957     -1.339568      5.077517
  O      -1.832036     -0.574696      5.992811
  Cl      0.003154     -1.678622      4.470973
  C      -6.061601     -5.724435      4.862953
  C      -6.878349     -6.617321      5.597997
  C      -8.071603     -6.177099      6.148506
  C      -8.502849     -4.850800      5.967855
  C      -7.711503     -3.951027      5.270748
  C      -6.465623     -4.356397      4.750626
  N      -5.575719     -3.521743      4.076737
  C      -5.841589     -2.217694      4.008486
  C      -5.420722     -1.365549      2.922759
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  C      -1.718607     -4.802002      5.445984
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  C       0.167856     -4.464083      7.006213
  C      -0.690504     -3.937159      7.986828
  C      -2.041192     -3.889011      7.726231
  C      -2.587668     -4.334617      6.496529
  N      -3.946243     -4.211861      6.335451
  C      -4.806701     -4.575283      7.225924
  C      -4.564478     -5.621751      8.255061
  O      -3.677924     -6.427312      8.295298
  Cl     -5.911990     -5.638846      9.461523
  H      -1.589469     -3.465009     -0.974007
  H      -0.556449     -1.243141     -1.173054
  H      -0.722535      0.414018      0.679705
  H      -1.841659     -0.203815      2.800969
  H      -3.528997     -2.381427      5.235326
  H      -6.571658     -7.650857      5.749035
  H      -8.685276     -6.874829      6.719385
  H      -9.463735     -4.528532      6.368786
  H      -8.068697     -2.933803      5.117136
  H      -6.520083     -1.772020      4.736245
  H       0.381430     -5.240333      5.056799
  H       1.243269     -4.507551      7.181707
  H      -0.299048     -3.564685      8.933519
  H      -2.734706     -3.470124      8.456665
  H      -5.825593     -4.185402      7.178346
  N      -5.433176     -4.853263      1.833064
  H      -5.419187     -4.427435      0.908564
  H      -6.340901     -5.270594      2.046597
74
Coordinates from ORCA-job orca E -7298.862152312741
  N      -2.971403     -4.298153      1.281931
  C      -3.033534     -5.285103      0.198085
  C      -3.557197     -6.611720      0.749300
  N      -3.246391     -6.663066      2.202615
  C      -3.993477     -7.755470      2.892919
  C      -4.309496     -7.350935      4.323444
  N      -4.877700     -6.011574      4.282298
  Mo     -3.926841     -4.648417      3.083078
  N      -2.157503     -5.211341      4.206400
  C      -1.227676     -6.173783      3.609221
  C      -1.769352     -6.777713      2.329241
  H      -0.999194     -6.952115      4.355525
  H      -0.268359     -5.699104      3.345926
  H      -1.481327     -7.836646      2.240007
  H      -1.335190     -6.249454      1.476838
  H      -4.996120     -8.087890      4.759147
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  H      -4.934709     -7.897874      2.346211
  H      -3.418110     -8.693066      2.849196
  H      -2.028528     -5.412463     -0.234448
  H      -3.682600     -4.933196     -0.621906
  H      -3.092294     -7.470272      0.236634
  H      -4.642856     -6.692261      0.640661
  C      -2.247714     -3.159806      1.081061
  C      -1.592535     -2.797133     -0.118204
  C      -1.028945     -1.535230     -0.233062
  C      -1.120215     -0.596799      0.813522
  C      -1.730022     -0.944563      2.005339
  C      -2.235584     -2.246336      2.172900
  N      -2.876673     -2.708862      3.310648
  C      -2.753274     -2.171905      4.511757
  C      -1.691167     -1.340487      5.083824
  O      -1.866283     -0.572322      5.993914
  Cl     -0.010546     -1.657762      4.484467
  C      -6.073615     -5.709336      4.853429
  C      -6.894861     -6.597411      5.589330
  C      -8.076608     -6.145410      6.155608
  C      -8.490859     -4.812080      5.990657
  C      -7.696478     -3.918528      5.287634
  C      -6.463963     -4.337360      4.748842
  N      -5.571153     -3.513596      4.063550
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  C      -5.398822     -1.359139      2.903072
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  C      -0.337300     -4.839833      5.785579
  C       0.164713     -4.410617      6.995783
  C      -0.697762     -3.911787      7.987009
  C      -2.051633     -3.888682      7.736819
  C      -2.597565     -4.335535      6.507769
  N      -3.960570     -4.226021      6.357924
  C      -4.805168     -4.642665      7.239786
  C      -4.527112     -5.723137      8.224953
  O      -3.635461     -6.524217      8.206596
  Cl     -5.832019     -5.789925      9.472803
  H      -1.571629     -3.475914     -0.968964
  H      -0.549066     -1.249665     -1.170266
  H      -0.733934      0.412783      0.675572
  H      -1.857913     -0.203973      2.793681
  H      -3.543274     -2.391947      5.230403
  H      -6.601859     -7.636148      5.731023
  H      -8.693084     -6.839245      6.728225
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  H      -6.505191     -1.752706      4.711528
  H       0.377906     -5.169911      5.038580
  H       1.242265     -4.429285      7.162027
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  H      -2.748226     -3.490355      8.475680
  H      -5.830832     -4.267709      7.223097
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  H      -5.410531     -4.449816      0.884863
  H      -6.348368     -5.253575      2.037175
74
Coordinates from ORCA-job orca E -7298.862478469271
  N      -2.962035     -4.306835      1.282411
  C      -3.013235     -5.295616      0.201058
  C      -3.547229     -6.617924      0.753238
  N      -3.247250     -6.665056      2.209636
  C      -4.003996     -7.754064      2.895154
  C      -4.326471     -7.343335      4.321749
  N      -4.890809     -6.002620      4.270487
  Mo     -3.930378     -4.645195      3.072326
  N      -2.166138     -5.207531      4.215582
  C      -1.229555     -6.162273      3.619652
  C      -1.772260     -6.789977      2.349353
  H      -0.981386     -6.928564      4.371940
  H      -0.279697     -5.675938      3.342792
  H      -1.493846     -7.853108      2.286034
  H      -1.326719     -6.285859      1.488031
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  H      -3.423180     -7.328160      4.953008
  H      -4.943130     -7.891917      2.343607
  H      -3.431903     -8.693577      2.855639
  H      -2.006153     -5.425330     -0.225386
  H      -3.659863     -4.945710     -0.622171
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  H      -4.633437     -6.687340      0.640231
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  C      -1.588544     -2.800960     -0.118451
  C      -1.032311     -1.535574     -0.236285
  C      -1.131350     -0.595105      0.807155
  C      -1.740184     -0.943823      1.999554
  C      -2.237302     -2.248235      2.169843
  N      -2.876688     -2.713258      3.308287
  C      -2.756687     -2.175727      4.509496
  C      -1.702336     -1.335095      5.082767
  O      -1.884298     -0.579392      6.002124
  Cl     -0.019452     -1.620446      4.474688
  C      -6.081645     -5.693093      4.848614
  C      -6.905744     -6.577677      5.585772
  C      -8.077212     -6.116895      6.166888
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  C      -6.461469     -4.318716      4.750429
  N      -5.569134     -3.504800      4.051128
  C      -5.821636     -2.200074      3.966599
  C      -5.390200     -1.357598      2.874684
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  C      -0.343696     -4.804342      5.782268
  C       0.157414     -4.382510      6.995512
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  C      -2.064576     -3.902770      7.751168
  C      -2.607883     -4.337023      6.517113
  N      -3.973726     -4.233014      6.374488
  C      -4.804326     -4.696021      7.244858
  C      -4.494120     -5.800856      8.194324
  O      -3.597814     -6.594316      8.127793
  Cl     -5.764968     -5.916269      9.471251
  H      -1.561930     -3.482148     -0.967132
  H      -0.552627     -1.250085     -1.173603
  H      -0.751806      0.416763      0.667236
  H      -1.873592     -0.201349      2.785231
  H      -3.543518     -2.403025      5.229495
  H      -6.623786     -7.620727      5.717446
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  H      -9.417849     -4.435752      6.447046
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  H      -2.763737     -3.524868      8.498282
  H      -5.836626     -4.338642      7.250537
  N      -5.434392     -4.847709      1.809472
  H      -5.399446     -4.478808      0.860935
  H      -6.353662     -5.234003      2.032246
74
Coordinates from ORCA-job orca E -7298.862716654899
  N      -2.955365     -4.317013      1.283826
  C      -2.997265     -5.304213      0.203184
  C      -3.543052     -6.623342      0.751082
  N      -3.253075     -6.668661      2.210769
  C      -4.018316     -7.755726      2.889770
  C      -4.343406     -7.342875      4.314812
  N      -4.904219     -6.000674      4.258720
  Mo     -3.936174     -4.645777      3.062858
  N      -2.178096     -5.207548      4.221070
  C      -1.233092     -6.150223      3.620559
  C      -1.779668     -6.804107      2.362221
  H      -0.960715     -6.904789      4.376102
  H      -0.295936     -5.648530      3.327740
  H      -1.510699     -7.870769      2.327840
  H      -1.322784     -6.328571      1.490378
  H      -5.036922     -8.072656      4.750922
  H      -3.441092     -7.326537      4.947362
  H      -4.957405     -7.887174      2.336291
  H      -3.451349     -8.697991      2.849339
  H      -1.988379     -5.436253     -0.218003
  H      -3.638818     -4.952013     -0.623702
  H      -3.090115     -7.495625      0.252471
  H      -4.629805     -6.681177      0.636688
  C      -2.238571     -3.170317      1.084741
  C      -1.582326     -2.805993     -0.112419
  C      -1.026509     -1.539898     -0.228256
  C      -1.127459     -0.601173      0.816223
  C      -1.737399     -0.952131      2.007631
  C      -2.234519     -2.256893      2.174826
  N      -2.877598     -2.722754      3.311058
  C      -2.762782     -2.187989      4.513751
  C      -1.711478     -1.350640      5.096891
  O      -1.897121     -0.610660      6.028466
  Cl     -0.027214     -1.615954      4.484746
  C      -6.091689     -5.685278      4.841412
  C      -6.921737     -6.568070      5.574054
  C      -8.085159     -6.100167      6.166267
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  C      -7.670009     -3.869147      5.322335
  C      -6.460290     -4.307684      4.751872
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  C      -5.380237     -1.359337      2.859656
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  Cl     -5.625046      0.390466      3.259640
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  C      -0.347998     -4.755283      5.766264
  C       0.156079     -4.326714      6.976193
  C      -0.710815     -3.882601      7.987799
  C      -2.069390     -3.897934      7.754286
  C      -2.614692     -4.334528      6.522746
  N      -3.984769     -4.247749      6.391906
  C      -4.803362     -4.740689      7.255635
  C      -4.470846     -5.856726      8.187062
  O      -3.572411     -6.644714      8.092477
  Cl     -5.711487     -5.992195      9.490006
  H      -1.553600     -3.487168     -0.961065
  H      -0.545506     -1.253387     -1.164567
  H      -0.748964      0.411419      0.678679
  H      -1.872351     -0.210519      2.793831
  H      -3.551174     -2.420243      5.230629
  H      -6.650405     -7.615413      5.693321
  H      -8.708014     -6.789216      6.737689
  H      -9.401952     -4.405469      6.474229
  H      -7.999191     -2.837578      5.208642
  H      -6.494778     -1.722444      4.663454
  H       0.365833     -5.046849      5.001727
  H       1.235612     -4.305554      7.128234
  H      -0.321611     -3.520260      8.939455
  H      -2.768447     -3.537549      8.510037
  H      -5.840956     -4.398762      7.274200
  N      -5.436878     -4.845240      1.801162
  H      -5.391740     -4.508203      0.840783
  H      -6.362325     -5.212840      2.030184
74
Coordinates from ORCA-job orca E -7298.862974563668
  N      -2.944381     -4.324675      1.286776
  C      -2.979822     -5.311863      0.208070
  C      -3.536038     -6.627652      0.751080
  N      -3.253098     -6.670004      2.213040
  C      -4.024697     -7.754790      2.887063
  C      -4.348652     -7.339603      4.311293
  N      -4.908087     -5.996822      4.251448
  Mo     -3.935882     -4.640742      3.057240
  N      -2.182652     -5.209091      4.225518
  C      -1.228938     -6.135799      3.616478
  C      -1.781548     -6.817063      2.373527
  H      -0.929837     -6.879406      4.372661
  H      -0.307113     -5.616242      3.306310
  H      -1.524008     -7.886874      2.371520
  H      -1.313559     -6.375375      1.489625
  H      -5.043353     -8.067105      4.748869
  H      -3.445010     -7.321259      4.941890
  H      -4.964958     -7.881226      2.334206
  H      -3.463369     -8.700075      2.844693
  H      -1.970157     -5.445381     -0.210605
  H      -3.616478     -4.957965     -0.622626
  H      -3.087078     -7.502762      0.255056
  H      -4.623373     -6.674035      0.637838
  C      -2.232941     -3.173445      1.086701
  C      -1.580790     -2.807922     -0.112320
  C      -1.033644     -1.538487     -0.232978
  C      -1.140613     -0.597426      0.808630
  C      -1.746485     -0.949521      2.001764
  C      -2.233115     -2.257860      2.173856
  N      -2.873953     -2.722417      3.312185
  C      -2.768538     -2.177661      4.511784
  C      -1.724411     -1.335136      5.099829
  O      -1.917048     -0.606455      6.039210
  Cl     -0.037782     -1.566715      4.480096
  C      -6.092803     -5.679740      4.838896
  C      -6.925510     -6.563601      5.567241
  C      -8.083618     -6.093776      6.168358
  C      -8.458868     -4.745210      6.046968
  C      -7.658070     -3.858587      5.339584
  C      -6.456095     -4.301137      4.756628
  N      -5.562189     -3.498520      4.043758
  C      -5.813137     -2.192875      3.947637
  C      -5.375267     -1.361176      2.851239
  O      -4.949802     -1.688439      1.767767
  Cl     -5.615192      0.390556      3.245945
  C      -1.744274     -4.752633      5.454417
  C      -0.348285     -4.750033      5.762675
  C       0.157767     -4.330848      6.975314
  C      -0.708412     -3.901966      7.993418
  C      -2.068120     -3.919245      7.762852
  C      -2.614193     -4.344712      6.528779
  N      -3.984343     -4.253939      6.398447
  C      -4.805868     -4.753820      7.253878
  C      -4.478747     -5.873204      8.185317
  O      -3.586851     -6.667804      8.087647
  Cl     -5.714824     -5.999387      9.492881
  H      -1.549736     -3.491809     -0.958671
  H      -0.556704     -1.251521     -1.171184
  H      -0.770996      0.418003      0.667958
  H      -1.887087     -0.206459      2.785367
  H      -3.561542     -2.406513      5.224140
  H      -6.659006     -7.613363      5.675423
  H      -8.708797     -6.783200      6.736691
  H      -9.384784     -4.391646      6.500340
  H      -7.980958     -2.823794      5.238481
  H      -6.498692     -1.718146      4.649448
  H       0.363489     -5.030242      4.991774
  H       1.237483     -4.304532      7.124863
  H      -0.317887     -3.549057      8.948059
  H      -2.765571     -3.567090      8.523811
  H      -5.844123     -4.413112      7.268615
  N      -5.432466     -4.839522      1.796507
  H      -5.378914     -4.541924      0.823133
  H      -6.364095     -5.184970      2.035034
74
Coordinates from ORCA-job orca E -7298.863301619122
  N      -2.937924     -4.330211      1.289374
  C      -2.970090     -5.315550      0.211038
  C      -3.533417     -6.630731      0.747502
  N      -3.255244     -6.672686      2.211984
  C      -4.031279     -7.755869      2.882180
  C      -4.347907     -7.342171      4.308534
  N      -4.908163     -6.000053      4.249360
  Mo     -3.937084     -4.639569      3.054963
  N      -2.188788     -5.208382      4.225936
  C      -1.223941     -6.114453      3.603415
  C      -1.784381     -6.827002      2.379164
  H      -0.892595     -6.845913      4.357762
  H      -0.322612     -5.572421      3.272287
  H      -1.535815     -7.898332      2.410794
  H      -1.309337     -6.421046      1.481890
  H      -5.040074     -8.069595      4.749794
  H      -3.439114     -7.321363      4.931763
  H      -4.974876     -7.875125      2.333149
  H      -3.477548     -8.705227      2.833242
  H      -1.959660     -5.450716     -0.205807
  H      -3.599166     -4.957846     -0.624479
  H      -3.083839     -7.503784      0.249428
  H      -4.621013     -6.669921      0.637343
  C      -2.234452     -3.173807      1.088843
  C      -1.588429     -2.804047     -0.112547
  C      -1.046768     -1.532647     -0.234320
  C      -1.153140     -0.593198      0.809133
  C      -1.752649     -0.949166      2.004098
  C      -2.235208     -2.259546      2.176209
  N      -2.868587     -2.726401      3.317602
  C      -2.750012     -2.189228      4.520220
  C      -1.693875     -1.365461      5.111924
  O      -1.869694     -0.662055      6.074027
  Cl     -0.016972     -1.581581      4.460716
  C      -6.094555     -5.684061      4.834452
  C      -6.931283     -6.569905      5.555679
  C      -8.090427     -6.101144      6.155291
  C      -8.462342     -4.751066      6.039567
  C      -7.658721     -3.862283      5.338522
  C      -6.456446     -4.304491      4.755343
  N      -5.558777     -3.500849      4.047635
  C      -5.811690     -2.194053      3.952867
  C      -5.369595     -1.360585      2.861182
  O      -4.940385     -1.682913      1.777517
  Cl     -5.613164      0.391194      3.257815
  C      -1.746768     -4.749791      5.452815
  C      -0.350036     -4.737828      5.754996
  C       0.158664     -4.316788      6.966246
  C      -0.705809     -3.895130      7.988501
  C      -2.066620     -3.920404      7.763197
  C      -2.615092     -4.345715      6.530937
  N      -3.985048     -4.259939      6.402705
  C      -4.812984     -4.749839      7.255364
  C      -4.496187     -5.851890      8.212500
  O      -3.603554     -6.647837      8.141463
  Cl     -5.749301     -5.952355      9.506566
  H      -1.558298     -3.488189     -0.958732
  H      -0.575060     -1.242894     -1.174318
  H      -0.788447      0.424069      0.668704
  H      -1.893586     -0.208081      2.789213
  H      -3.536867     -2.422404      5.237651
  H      -6.664861     -7.620266      5.658108
  H      -8.719396     -6.791732      6.717972
  H      -9.388195     -4.397515      6.493150
  H      -7.978423     -2.825973      5.243169
  H      -6.498853     -1.723364      4.655376
  H       0.360079     -5.012089      4.980369
  H       1.238763     -4.283541      7.111578
  H      -0.313195     -3.542015      8.942191
  H      -2.761868     -3.571885      8.527841
  H      -5.853063     -4.413861      7.251477
  N      -5.431850     -4.837304      1.794462
  H      -5.373220     -4.575062      0.811137
  H      -6.368383     -5.162963      2.042130
74
Coordinates from ORCA-job orca E -7298.863687451071
  N      -2.934097     -4.334771      1.292071
  C      -2.969110     -5.317716      0.212632
  C      -3.538138     -6.631811      0.743714
  N      -3.261331     -6.675425      2.208747
  C      -4.041293     -7.755740      2.877623
  C      -4.342626     -7.346732      4.308392
  N      -4.903621     -6.005681      4.255035
  Mo     -3.938726     -4.640155      3.056214
  N      -2.193792     -5.206177      4.221918
  C      -1.217871     -6.086753      3.578763
  C      -1.789857     -6.832203      2.377744
  H      -0.846317     -6.804507      4.327012
  H      -0.343790     -5.517762      3.220787
  H      -1.547710     -7.903573      2.440246
  H      -1.315273     -6.459049      1.466196
  H      -5.028538     -8.075405      4.757017
  H      -3.425100     -7.324669      4.918960
  H      -4.990302     -7.862643      2.335375
  H      -3.498125     -8.710697      2.817801
  H      -1.957645     -5.460140     -0.200419
  H      -3.587598     -4.954910     -0.628597
  H      -3.085951     -7.500703      0.241574
  H      -4.625050     -6.667442      0.636151
  C      -2.231196     -3.178298      1.093440
  C      -1.583895     -2.808490     -0.107648
  C      -1.039408     -1.538546     -0.228122
  C      -1.144186     -0.599503      0.816234
  C      -1.745511     -0.954822      2.010117
  C      -2.231911     -2.264142      2.181156
  N      -2.870228     -2.726566      3.321322
  C      -2.752653     -2.187386      4.523221
  C      -1.691403     -1.376477      5.121127
  O      -1.860610     -0.685653      6.093811
  Cl     -0.017412     -1.590723      4.461892
  C      -6.093563     -5.692824      4.833961
  C      -6.933212     -6.580104      5.549955
  C      -8.097276     -6.113573      6.140784
  C      -8.472694     -4.764679      6.019947
  C      -7.666276     -3.874037      5.325640
  C      -6.456792     -4.313197      4.753667
  N      -5.553114     -3.506915      4.057374
  C      -5.806297     -2.198675      3.969919
  C      -5.371461     -1.359823      2.881060
  O      -4.947341     -1.673512      1.793012
  Cl     -5.615359      0.390811      3.289361
  C      -1.747404     -4.753100      5.449411
  C      -0.348777     -4.735200      5.743496
  C       0.165690     -4.309395      6.950713
  C      -0.693701     -3.888473      7.977694
  C      -2.055492     -3.921900      7.761227
  C      -2.610762     -4.351958      6.533932
  N      -3.979005     -4.267660      6.410350
  C      -4.814981     -4.738598      7.263318
  C      -4.512388     -5.821948      8.246818
  O      -3.617031     -6.616289      8.208567
  Cl     -5.790557     -5.896248      9.519167
  H      -1.554540     -3.493153     -0.953385
  H      -0.566473     -1.249063     -1.167559
  H      -0.776909      0.416958      0.676954
  H      -1.885936     -0.214901      2.796492
  H      -3.544341     -2.415733      5.236958
  H      -6.663263     -7.629381      5.653767
  H      -8.729351     -6.804920      6.698972
  H      -9.403835     -4.413812      6.464636
  H      -7.987520     -2.838695      5.225634
  H      -6.487131     -1.735434      4.683134
  H       0.358338     -5.006658      4.965445
  H       1.246584     -4.271484      7.088592
  H      -0.296449     -3.530348      8.927495
  H      -2.746384     -3.572672      8.529571
  H      -5.855251     -4.404103      7.240388
  N      -5.435741     -4.832698      1.794973
  H      -5.376270     -4.597929      0.805350
  H      -6.375953     -5.141258      2.050858
74
Coordinates from ORCA-job orca E -7298.864129760344
  N      -2.928688     -4.336158      1.295579
  C      -2.969584     -5.319093      0.215600
  C      -3.540917     -6.632053      0.745718
  N      -3.263830     -6.679256      2.210223
  C      -4.049282     -7.754816      2.878765
  C      -4.336618     -7.349614      4.312775
  N      -4.897451     -6.009340      4.265407
  Mo     -3.938803     -4.640190      3.060566
  N      -2.196128     -5.203826      4.220491
  C      -1.209572     -6.057148      3.556730
  C      -1.791740     -6.837237      2.381205
  H      -0.792884     -6.757712      4.296729
  H      -0.367677     -5.458582      3.169626
  H      -1.557082     -7.908109      2.473096
  H      -1.319789     -6.493827      1.457008
  H      -5.017068     -8.079430      4.767940
  H      -3.412004     -7.328865      4.913189
  H      -5.001472     -7.849271      2.340180
  H      -3.515627     -8.715012      2.811929
  H      -1.957068     -5.467769     -0.193895
  H      -3.579440     -4.954206     -0.630593
  H      -3.087379     -7.498839      0.240920
  H      -4.626984     -6.667042      0.636700
  C      -2.229860     -3.179130      1.094923
  C      -1.582995     -2.809656     -0.106834
  C      -1.040225     -1.539407     -0.228678
  C      -1.145889     -0.598808      0.814545
  C      -1.746462     -0.953366      2.008673
  C      -2.231660     -2.262908      2.182073
  N      -2.866608     -2.724225      3.324272
  C      -2.735920     -2.188585      4.526968
  C      -1.661595     -1.392004      5.119227
  O      -1.812468     -0.710146      6.101403
  Cl      0.002082     -1.608525      4.434225
  C      -6.091293     -5.700220      4.836804
  C      -6.930855     -6.588303      5.552195
  C      -8.101843     -6.125340      6.130881
  C      -8.486521     -4.779954      5.997385
  C      -7.679325     -3.888198      5.306735
  C      -6.459885     -4.322090      4.750630
  N      -5.552438     -3.511780      4.065086
  C      -5.805600     -2.203190      3.985565
  C      -5.371658     -1.353496      2.904501
  O      -4.948627     -1.655157      1.813414
  Cl     -5.623969      0.392870      3.330873
  C      -1.749845     -4.758160      5.450396
  C      -0.349787     -4.739478      5.741603
  C       0.166658     -4.311688      6.947088
  C      -0.690526     -3.888151      7.975454
  C      -2.052219     -3.924234      7.762170
  C      -2.610636     -4.358071      6.537356
  N      -3.976378     -4.270566      6.412510
  C      -4.821488     -4.724979      7.265579
  C      -4.533237     -5.800569      8.260841
  O      -3.637180     -6.594448      8.243531
  Cl     -5.830951     -5.858140      9.515702
  H      -1.552428     -3.495318     -0.951679
  H      -0.567751     -1.250233     -1.168447
  H      -0.779206      0.417579      0.673421
  H      -1.887670     -0.214078      2.795631
  H      -3.523611     -2.413458      5.246217
  H      -6.655130     -7.635190      5.664291
  H      -8.734181     -6.817514      6.687796
  H      -9.425517     -4.433760      6.428926
  H      -8.006849     -2.856079      5.194438
  H      -6.481798     -1.748445      4.708912
  H       0.356521     -5.010201      4.962753
  H       1.247976     -4.273380      7.081533
  H      -0.291748     -3.525593      8.922853
  H      -2.741494     -3.572408      8.530875
  H      -5.858739     -4.382930      7.233009
  N      -5.438414     -4.827901      1.795918
  H      -5.380281     -4.620980      0.800374
  H      -6.381884     -5.120457      2.059357
74
Coordinates from ORCA-job orca E -7298.864638147614
  N      -2.919366     -4.340048      1.299077
  C      -2.964790     -5.323025      0.218027
  C      -3.541812     -6.633861      0.748564
  N      -3.267830     -6.685615      2.212207
  C      -4.063244     -7.753928      2.879429
  C      -4.335058     -7.352149      4.316378
  N      -4.892434     -6.010856      4.275860
  Mo     -3.938498     -4.642652      3.062637
  N      -2.198722     -5.201029      4.219558
  C      -1.204471     -6.029159      3.535894
  C      -1.796145     -6.848063      2.389845
  H      -0.740071     -6.707371      4.267226
  H      -0.397648     -5.402847      3.117244
  H      -1.572431     -7.917600      2.515758
  H      -1.323768     -6.537191      1.454573
  H      -5.010426     -8.081700      4.779758
  H      -3.403811     -7.334644      4.906809
  H      -5.018572     -7.830366      2.343885
  H      -3.541615     -8.720531      2.805283
  H      -1.949996     -5.480838     -0.183397
  H      -3.565326     -4.955578     -0.633040
  H      -3.088995     -7.501511      0.243860
  H      -4.626993     -6.668634      0.631867
  C      -2.224431     -3.182201      1.096615
  C      -1.573837     -2.814307     -0.103520
  C      -1.035296     -1.542313     -0.226896
  C      -1.148560     -0.598291      0.812419
  C      -1.752075     -0.951349      2.005381
  C      -2.232532     -2.261966      2.181881
  N      -2.867584     -2.722604      3.324232
  C      -2.732500     -2.187394      4.526505
  C      -1.653687     -1.394037      5.113852
  O      -1.796670     -0.712694      6.097634
  Cl      0.005850     -1.613671      4.418662
  C      -6.087929     -5.702669      4.842466
  C      -6.927214     -6.588517      5.561368
  C      -8.103047     -6.125336      6.129526
  C      -8.494700     -4.783374      5.980565
  C      -7.686203     -3.893833      5.288903
  C      -6.459115     -4.326377      4.748182
  N      -5.549035     -3.516380      4.067407
  C      -5.798199     -2.206835      3.995767
  C      -5.370726     -1.347356      2.918398
  O      -4.954713     -1.639440      1.822829
  Cl     -5.620666      0.394708      3.366299
  C      -1.753736     -4.759816      5.450973
  C      -0.351632     -4.734926      5.737975
  C       0.165978     -4.308771      6.943131
  C      -0.689912     -3.892671      7.976332
  C      -2.051582     -3.933979      7.767288
  C      -2.612798     -4.365424      6.542119
  N      -3.976867     -4.274140      6.419271
  C      -4.825224     -4.723242      7.272534
  C      -4.538107     -5.801572      8.263979
  O      -3.638256     -6.591149      8.248618
  Cl     -5.845477     -5.869687      9.509341
  H      -1.536571     -3.501968     -0.946471
  H      -0.559938     -1.254141     -1.165544
  H      -0.784762      0.418676      0.668296
  H      -1.899060     -0.211169      2.790720
  H      -3.518966     -2.410340      5.247998
  H      -6.649312     -7.633650      5.684091
  H      -8.735164     -6.815816      6.688887
  H      -9.440328     -4.439539      6.399224
  H      -8.019257     -2.865339      5.159829
  H      -6.465517     -1.756676      4.730723
  H       0.354448     -4.998073      4.956394
  H       1.247689     -4.266228      7.073162
  H      -0.290282     -3.530082      8.923327
  H      -2.740605     -3.587668      8.538754
  H      -5.860191     -4.374713      7.243444
  N      -5.439055     -4.819187      1.793346
  H      -5.382970     -4.635235      0.793536
  H      -6.386154     -5.095886      2.062103
74
Coordinates from ORCA-job orca E -7298.865219796224
  N      -2.907510     -4.344656      1.304603
  C      -2.954349     -5.327757      0.223089
  C      -3.539198     -6.635957      0.753239
  N      -3.271160     -6.692824      2.215927
  C      -4.078392     -7.753519      2.880953
  C      -4.337894     -7.353468      4.319690
  N      -4.890240     -6.009989      4.284457
  Mo     -3.938597     -4.645033      3.064305
  N      -2.199950     -5.200099      4.220065
  C      -1.201583     -6.006453      3.518933
  C      -1.801338     -6.864733      2.404425
  H      -0.692462     -6.660429      4.241625
  H      -0.429105     -5.357350      3.069685
  H      -1.592584     -7.931595      2.569219
  H      -1.323349     -6.590325      1.460446
  H      -5.010826     -8.081145      4.789800
  H      -3.402327     -7.340447      4.903443
  H      -5.035559     -7.813360      2.346888
  H      -3.567301     -8.725572      2.802385
  H      -1.936969     -5.492920     -0.169192
  H      -3.547862     -4.958051     -0.631403
  H      -3.089177     -7.506688      0.250299
  H      -4.623537     -6.670946      0.623990
  C      -2.217679     -3.184861      1.099667
  C      -1.562921     -2.818357     -0.098281
  C      -1.030878     -1.543436     -0.223721
  C      -1.154239     -0.595545      0.810712
  C      -1.760794     -0.947657      2.002479
  C      -2.234309     -2.260067      2.182005
  N      -2.869089     -2.721199      3.324118
  C      -2.731134     -2.185690      4.525767
  C      -1.650519     -1.389907      5.106296
  O      -1.788200     -0.706141      6.089027
  Cl      0.006426     -1.610906      4.403212
  C      -6.086198     -5.701756      4.848906
  C      -6.924115     -6.585039      5.572903
  C      -8.102873     -6.120802      6.134550
  C      -8.499272     -4.781516      5.973698
  C      -7.690443     -3.894635      5.278367
  C      -6.459684     -4.327599      4.746871
  N      -5.549600     -3.519374      4.064557
  C      -5.794034     -2.209093      3.998777
  C      -5.369676     -1.341707      2.924129
  O      -4.960932     -1.627580      1.824881
  Cl     -5.611807      0.396258      3.391108
  C      -1.755878     -4.759503      5.450644
  C      -0.352050     -4.724377      5.732589
  C       0.165508     -4.302521      6.938839
  C      -0.690633     -3.900099      7.977786
  C      -2.052383     -3.946636      7.772056
  C      -2.614680     -4.372616      6.544529
  N      -3.977856     -4.276103      6.421464
  C      -4.827432     -4.725352      7.275470
  C      -4.540220     -5.818335      8.249283
  O      -3.640801     -6.608454      8.220366
  Cl     -5.845792     -5.906110      9.496058
  H      -1.516549     -3.508176     -0.939086
  H      -0.552278     -1.256228     -1.161064
  H      -0.795350      0.422638      0.663034
  H      -1.915128     -0.206189      2.785520
  H      -3.515077     -2.408074      5.250388
  H      -6.645896     -7.628960      5.705262
  H      -8.733472     -6.809344      6.698095
  H      -9.448745     -4.438828      6.384487
  H      -8.027494     -2.869060      5.135917
  H      -6.455266     -1.759691      4.740257
  H       0.353672     -4.974893      4.946287
  H       1.247369     -4.252475      7.065182
  H      -0.291114     -3.540492      8.926019
  H      -2.742506     -3.608801      8.546202
  H      -5.858577     -4.365555      7.258257
  N      -5.436740     -4.808455      1.789997
  H      -5.382292     -4.645704      0.785934
  H      -6.387599     -5.069526      2.062485
74
Coordinates from ORCA-job orca E -7298.865902926680
  N      -2.893142     -4.350646      1.311381
  C      -2.936489     -5.333955      0.230040
  C      -3.533162     -6.639222      0.757510
  N      -3.275110     -6.700333      2.219791
  C      -4.095011     -7.753539      2.882338
  C      -4.343884     -7.353361      4.322477
  N      -4.890123     -6.006703      4.290858
  Mo     -3.938744     -4.648101      3.064542
  N      -2.200165     -5.199643      4.219640
  C      -1.201221     -5.989038      3.503491
  C      -1.808732     -6.886435      2.423020
  H      -0.652637     -6.618183      4.218687
  H      -0.460809     -5.324076      3.023780
  H      -1.618090     -7.948291      2.632197
  H      -1.320249     -6.654391      1.472429
  H      -5.016307     -8.077491      4.798837
  H      -3.405115     -7.344669      4.900964
  H      -5.054012     -7.798649      2.350154
  H      -3.593621     -8.730348      2.800602
  H      -1.916088     -5.505546     -0.151471
  H      -3.523587     -4.961483     -0.627523
  H      -3.086477     -7.514081      0.257664
  H      -4.616601     -6.675127      0.611996
  C      -2.209311     -3.187589      1.104303
  C      -1.549720     -2.821953     -0.090779
  C      -1.026875     -1.542905     -0.218623
  C      -1.163914     -0.590847      0.809977
  C      -1.774290     -0.942612      2.000143
  C      -2.238049     -2.257855      2.182331
  N      -2.873074     -2.720810      3.323308
  C      -2.737981     -2.184938      4.524745
  C      -1.662445     -1.379374      5.102258
  O      -1.803728     -0.692490      6.082005
  Cl     -0.003114     -1.592828      4.399696
  C      -6.085816     -5.697295      4.855307
  C      -6.922425     -6.577232      5.584786
  C      -8.102050     -6.110108      6.143712
  C      -8.499607     -4.772307      5.974679
  C      -7.690537     -3.888797      5.273800
  C      -6.459970     -4.324972      4.746053
  N      -5.550785     -3.520681      4.057498
  C      -5.789588     -2.209134      3.995652
  C      -5.368030     -1.338458      2.920360
  O      -4.967196     -1.623050      1.818079
  Cl     -5.596191      0.397332      3.399216
  C      -1.755640     -4.756963      5.447816
  C      -0.350751     -4.709291      5.723671
  C       0.166940     -4.295668      6.932408
  C      -0.689833     -3.913502      7.978585
  C      -2.051997     -3.964869      7.776193
  C      -2.615094     -4.380138      6.544500
  N      -3.978576     -4.277410      6.422306
  C      -4.825927     -4.731560      7.277927
  C      -4.535045     -5.842848      8.228646
  O      -3.637067     -6.634228      8.178038
  Cl     -5.832238     -5.959155      9.482048
  H      -1.491639     -3.514408     -0.928810
  H      -0.544515     -1.256378     -1.154314
  H      -0.812373      0.429377      0.658652
  H      -1.938568     -0.199283      2.779614
  H      -3.519786     -2.411782      5.250510
  H      -6.646046     -7.620730      5.724767
  H      -8.731226     -6.795991      6.712131
  H      -9.450107     -4.428654      6.382358
  H      -8.028671     -2.864771      5.122025
  H      -6.445381     -1.756174      4.740160
  H       0.353623     -4.942689      4.930527
  H       1.248721     -4.236026      7.055523
  H      -0.290351     -3.561548      8.929826
  H      -2.743443     -3.638994      8.554156
  H      -5.854003     -4.362646      7.275650
  N      -5.431523     -4.796513      1.785368
  H      -5.377604     -4.649278      0.778254
  H      -6.386306     -5.043510      2.058713
74
Coordinates from ORCA-job orca E -7298.866674507879
  N      -2.879034     -4.356763      1.320057
  C      -2.913949     -5.340242      0.239662
  C      -3.525174     -6.642504      0.760687
  N      -3.279614     -6.706435      2.223261
  C      -4.110569     -7.753869      2.883211
  C      -4.350962     -7.351798      4.324538
  N      -4.892112     -6.001832      4.294875
  Mo     -3.940144     -4.650464      3.064812
  N      -2.199178     -5.200206      4.217231
  C      -1.201790     -5.974367      3.486735
  C      -1.817434     -6.909323      2.442425
  H      -0.617826     -6.579428      4.194470
  H      -0.491932     -5.298133      2.977321
  H      -1.645964     -7.963176      2.699719
  H      -1.315794     -6.725391      1.487180
  H      -5.024350     -8.071591      4.805851
  H      -3.409723     -7.346037      4.898717
  H      -5.071614     -7.789038      2.353764
  H      -3.616686     -8.734079      2.799495
  H      -1.890575     -5.516003     -0.131287
  H      -3.495605     -4.964827     -0.620636
  H      -3.081154     -7.520945      0.263886
  H      -4.607465     -6.680113      0.597619
  C      -2.200865     -3.189947      1.111508
  C      -1.536229     -2.825034     -0.080605
  C      -1.022070     -1.542155     -0.210590
  C      -1.172518     -0.586486      0.812589
  C      -1.787221     -0.937997      2.000946
  C      -2.242215     -2.256010      2.184482
  N      -2.878604     -2.720808      3.323528
  C      -2.749239     -2.184932      4.525181
  C      -1.682087     -1.367327      5.103290
  O      -1.831871     -0.679422      6.080639
  Cl     -0.017621     -1.567662      4.406067
  C      -6.087850     -5.692028      4.860729
  C      -6.922556     -6.569718      5.594395
  C      -8.102014     -6.100320      6.153961
  C      -8.498931     -4.763101      5.981764
  C      -7.690730     -3.881600      5.275436
  C      -6.463033     -4.321151      4.746091
  N      -5.555699     -3.520450      4.049128
  C      -5.790326     -2.207612      3.989558
  C      -5.368883     -1.337895      2.912054
  O      -4.973691     -1.625089      1.808110
  Cl     -5.581074      0.397813      3.393855
  C      -1.751575     -4.754349      5.441726
  C      -0.346548     -4.693656      5.710245
  C       0.172198     -4.290000      6.921891
  C      -0.685002     -3.930055      7.975236
  C      -2.048011     -3.984993      7.776253
  C      -2.612032     -4.387797      6.540398
  N      -3.976806     -4.278027      6.418439
  C      -4.821171     -4.735708      7.277055
  C      -4.530591     -5.863367      8.207781
  O      -3.638053     -6.660162      8.136768
  Cl     -5.817111     -6.000831      9.469705
  H      -1.466700     -3.520237     -0.915626
  H      -0.535772     -1.256412     -1.144551
  H      -0.827968      0.435762      0.658583
  H      -1.961082     -0.192716      2.776518
  H      -3.529122     -2.418729      5.250836
  H      -6.647876     -7.613143      5.738777
  H      -8.729576     -6.784398      6.726324
  H      -9.448314     -4.417953      6.390979
  H      -8.028352     -2.857849      5.120218
  H      -6.443159     -1.748552      4.732956
  H       0.354655     -4.908963      4.908700
  H       1.253668     -4.220274      7.042632
  H      -0.284888     -3.588014      8.929993
  H      -2.740011     -3.670594      8.558287
  H      -5.845967     -4.357421      7.287111
  N      -5.425341     -4.785022      1.781302
  H      -5.370063     -4.649058      0.771747
  H      -6.383951     -5.019831      2.053162
74
Coordinates from ORCA-job orca E -7298.867479724313
  N      -2.865741     -4.363611      1.328951
  C      -2.888635     -5.347449      0.249830
  C      -3.515971     -6.646367      0.761578
  N      -3.284908     -6.711058      2.225643
  C      -4.125759     -7.753989      2.881884
  C      -4.358131     -7.349736      4.324615
  N      -4.895197     -5.996751      4.296386
  Mo     -3.942366     -4.652418      3.064247
  N      -2.198693     -5.200850      4.212735
  C      -1.202677     -5.958570      3.466818
  C      -1.826618     -6.929992      2.461051
  H      -0.584350     -6.539486      4.165559
  H      -0.523974     -5.272870      2.928302
  H      -1.673075     -7.972682      2.768258
  H      -1.312391     -6.798186      1.503113
  H      -5.032613     -8.065321      4.810182
  H      -3.413933     -7.345453      4.893589
  H      -5.089118     -7.780873      2.355860
  H      -3.639690     -8.737535      2.795342
  H      -1.862160     -5.526765     -0.110091
  H      -3.463254     -4.969171     -0.614490
  H      -3.072566     -7.527064      0.267830
  H      -4.596684     -6.685141      0.581932
  C      -2.193127     -3.192795      1.119555
  C      -1.523680     -2.828623     -0.069957
  C      -1.017367     -1.542562     -0.202014
  C      -1.180279     -0.583814      0.816346
  C      -1.799328     -0.934828      2.002904
  C      -2.246693     -2.255373      2.187345
  N      -2.884850     -2.721785      3.324512
  C      -2.762293     -2.186858      4.526895
  C      -1.705586     -1.357213      5.109177
  O      -1.867345     -0.671617      6.085898
  Cl     -0.035070     -1.537788      4.419272
  C      -6.091264     -5.687155      4.864227
  C      -6.924253     -6.563310      5.600484
  C      -8.102640     -6.091897      6.162659
  C      -8.497625     -4.754603      5.990463
  C      -7.690775     -3.874140      5.279801
  C      -6.466841     -4.316839      4.746451
  N      -5.560866     -3.519273      4.042090
  C      -5.792401     -2.205026      3.984869
  C      -5.370282     -1.338233      2.905218
  O      -4.978691     -1.628462      1.800184
  Cl     -5.569264      0.398787      3.384507
  C      -1.746298     -4.752482      5.434087
  C      -0.341696     -4.679128      5.694643
  C       0.179329     -4.285174      6.908802
  C      -0.677383     -3.946727      7.969013
  C      -2.041457     -4.005393      7.774025
  C      -2.607302     -4.396043      6.535241
  N      -3.973927     -4.280134      6.414918
  C      -4.814793     -4.739773      7.276490
  C      -4.527218     -5.876772      8.196715
  O      -3.640362     -6.679353      8.113949
  Cl     -5.806431     -6.023804      9.464178
  H      -1.443923     -3.526894     -0.901578
  H      -0.527363     -1.257700     -1.134350
  H      -0.841969      0.440287      0.660535
  H      -1.981946     -0.187508      2.774355
  H      -3.540162     -2.430170      5.251555
  H      -6.650738     -7.606891      5.746232
  H      -8.729165     -6.774670      6.737651
  H      -9.444819     -4.407551      6.403352
  H      -8.026906     -2.849864      5.124869
  H      -6.442369     -1.740461      4.727132
  H       0.355019     -4.877207      4.884420
  H       1.260367     -4.205688      7.027294
  H      -0.275799     -3.614775      8.926851
  H      -2.732519     -3.701423      8.560917
  H      -5.837570     -4.355454      7.292712
  N      -5.419643     -4.775128      1.775909
  H      -5.360312     -4.648624      0.764813
  H      -6.382113     -4.998595      2.044417
74
Coordinates from ORCA-job orca E -7298.868370976077
  N      -2.854635     -4.370598      1.337793
  C      -2.863596     -5.355126      0.259973
  C      -3.506563     -6.650271      0.760678
  N      -3.291235     -6.714108      2.227438
  C      -4.140840     -7.753695      2.878094
  C      -4.366342     -7.348053      4.322165
  N      -4.899799     -5.992541      4.295236
  Mo     -3.945861     -4.653206      3.063409
  N      -2.198906     -5.201252      4.206554
  C      -1.203805     -5.940860      3.443539
  C      -1.836202     -6.947183      2.478970
  H      -0.551139     -6.497813      4.130618
  H      -0.557843     -5.246987      2.876041
  H      -1.699177     -7.975559      2.837251
  H      -1.312035     -6.870416      1.520136
  H      -5.042290     -8.059984      4.810428
  H      -3.418928     -7.344831      4.885568
  H      -5.105960     -7.773180      2.354757
  H      -3.663203     -8.740798      2.787912
  H      -1.834018     -5.537884     -0.088698
  H      -3.428853     -4.974617     -0.610064
  H      -3.061240     -7.531696      0.270194
  H      -4.585072     -6.688694      0.566701
  C      -2.186506     -3.196413      1.128258
  C      -1.512267     -2.833530     -0.059173
  C      -1.010879     -1.545792     -0.192859
  C      -1.183323     -0.584633      0.821769
  C      -1.806867     -0.934326      2.006545
  C      -2.249949     -2.256379      2.191494
  N      -2.890881     -2.723160      3.327084
  C      -2.773795     -2.189106      4.530140
  C      -1.726464     -1.350379      5.117845
  O      -1.900114     -0.668974      6.095315
  Cl     -0.050998     -1.511643      4.435577
  C      -6.096359     -5.683898      4.865311
  C      -6.927931     -6.559833      5.602050
  C      -8.104713     -6.087569      6.168037
  C      -8.497389     -4.749684      5.999108
  C      -7.692345     -3.868783      5.286458
  C      -6.471977     -4.313175      4.747519
  N      -5.567094     -3.517325      4.038099
  C      -5.797357     -2.202076      3.983690
  C      -5.373456     -1.337952      2.903810
  O      -4.982482     -1.629249      1.798259
  Cl     -5.564848      0.400906      3.378771
  C      -1.740383     -4.750986      5.425489
  C      -0.336450     -4.664164      5.677413
  C       0.187683     -4.277197      6.893031
  C      -0.667573     -3.958061      7.959677
  C      -2.032682     -4.022421      7.769372
  C      -2.601051     -4.404095      6.529740
  N      -3.969657     -4.284576      6.411913
  C      -4.807161     -4.744855      7.275708
  C      -4.525210     -5.883962      8.195351
  O      -3.643638     -6.692296      8.110526
  Cl     -5.802148     -6.026275      9.464477
  H      -1.424868     -3.535041     -0.887255
  H      -0.517176     -1.262292     -1.123658
  H      -0.848778      0.440633      0.665306
  H      -1.995957     -0.184969      2.774180
  H      -3.549681     -2.441022      5.253844
  H      -6.654420     -7.603661      5.745779
  H      -8.730802     -6.770092      6.743694
  H      -9.441985     -4.401067      6.416784
  H      -8.026932     -2.843518      5.135375
  H      -6.445350     -1.735109      4.725801
  H       0.355043     -4.846430      4.858895
  H       1.268181     -4.187478      7.008758
  H      -0.263992     -3.633890      8.919396
  H      -2.721201     -3.727050      8.561765
  H      -5.829272     -4.357976      7.291865
  N      -5.415920     -4.767234      1.768735
  H      -5.349488     -4.650470      0.756787
  H      -6.382094     -4.979966      2.032609
74
Coordinates from ORCA-job orca E -7298.869409939610
  N      -2.845834     -4.377914      1.345822
  C      -2.839743     -5.363698      0.268963
  C      -3.496855     -6.654738      0.757950
  N      -3.298784     -6.716179      2.228859
  C      -4.156469     -7.753244      2.871207
  C      -4.377328     -7.347982      4.316317
  N      -4.906247     -5.990263      4.290647
  Mo     -3.950100     -4.653075      3.062124
  N      -2.199480     -5.200349      4.198432
  C      -1.204973     -5.922192      3.417831
  C      -1.846367     -6.960999      2.497141
  H      -0.519505     -6.456100      4.091330
  H      -0.592919     -5.222973      2.820583
  H      -1.725571     -7.971745      2.907847
  H      -1.315867     -6.943243      1.538878
  H      -5.055827     -8.056826      4.804741
  H      -3.426882     -7.346783      4.874655
  H      -5.122083     -7.765333      2.348421
  H      -3.688401     -8.744458      2.776535
  H      -1.807056     -5.550823     -0.067933
  H      -3.391829     -4.981667     -0.609165
  H      -3.046379     -7.535285      0.271617
  H      -4.572536     -6.690126      0.553023
  C      -2.181029     -3.201093      1.137284
  C      -1.501994     -2.839758     -0.048574
  C      -1.003166     -1.551672     -0.183479
  C      -1.182822     -0.588700      0.828409
  C      -1.810870     -0.936395      2.011354
  C      -2.252272     -2.259074      2.196970
  N      -2.896568     -2.725112      3.331717
  C      -2.783571     -2.191150      4.535088
  C      -1.745353     -1.345018      5.128830
  O      -1.931808     -0.668934      6.107817
  Cl     -0.066299     -1.486345      4.454917
  C      -6.103124     -5.682393      4.862945
  C      -6.934587     -6.559203      5.597536
  C      -8.108974     -6.086912      6.168114
  C      -8.498388     -4.747656      6.005882
  C      -7.694783     -3.865206      5.294506
  C      -6.477220     -4.309896      4.749073
  N      -5.572748     -3.514439      4.038056
  C      -5.803087     -2.198604      3.987072
  C      -5.376943     -1.336005      2.909525
  O      -4.983977     -1.625043      1.803714
  Cl     -5.567558      0.405049      3.380568
  C      -1.734089     -4.748968      5.416128
  C      -0.330852     -4.649012      5.659160
  C       0.197259     -4.265713      6.874958
  C      -0.655152     -3.962152      7.947768
  C      -2.021109     -4.034312      7.762822
  C      -2.593043     -4.411076      6.524821
  N      -3.963628     -4.291957      6.411266
  C      -4.797594     -4.752842      7.275929
  C      -4.521631     -5.885644      8.205792
  O      -3.642434     -6.697014      8.130208
  Cl     -5.802701     -6.008960      9.471284
  H      -1.409420     -3.544769     -0.872921
  H      -0.505875     -1.269752     -1.112787
  H      -0.850123      0.437231      0.672356
  H      -2.004723     -0.184937      2.775369
  H      -3.557284     -2.451205      5.258098
  H      -6.660339     -7.603510      5.735289
  H      -8.735945     -6.770057      6.741935
  H      -9.440199     -4.397550      6.428642
  H      -8.027584     -2.838492      5.150670
  H      -6.449576     -1.734007      4.731491
  H       0.355262     -4.818210      4.833447
  H       1.277222     -4.166114      6.986867
  H      -0.249025     -3.642792      8.907953
  H      -2.704981     -3.745546      8.561798
  H      -5.821317     -4.369319      7.285734
  N      -5.414366     -4.761988      1.758656
  H      -5.337153     -4.653863      0.747186
  H      -6.383923     -4.965760      2.016091
74
Coordinates from ORCA-job orca E -7298.870510261486
  N      -2.837650     -4.384826      1.352428
  C      -2.819161     -5.372480      0.276356
  C      -3.487314     -6.659381      0.756099
  N      -3.306016     -6.719200      2.230833
  C      -4.173030     -7.752819      2.862619
  C      -4.391019     -7.350685      4.308387
  N      -4.913360     -5.990758      4.284789
  Mo     -3.953816     -4.652701      3.060819
  N      -2.200480     -5.198179      4.191146
  C      -1.206744     -5.903717      3.393620
  C      -1.856518     -6.973493      2.517686
  H      -0.489716     -6.414396      4.051731
  H      -0.631359     -5.200518      2.765855
  H      -1.754569     -7.964159      2.979585
  H      -1.321534     -7.015931      1.562484
  H      -5.072665     -8.057200      4.795121
  H      -3.438414     -7.354310      4.863529
  H      -5.137238     -7.754960      2.337125
  H      -3.715491     -8.748716      2.763357
  H      -1.783423     -5.565897     -0.048051
  H      -3.355135     -4.989600     -0.611194
  H      -3.030957     -7.539163      0.275010
  H      -4.560050     -6.689129      0.542405
  C      -2.175612     -3.206167      1.145444
  C      -1.491748     -2.846144     -0.038795
  C      -0.994998     -1.557974     -0.174848
  C      -1.181228     -0.593254      0.834290
  C      -1.813396     -0.939025      2.015384
  C      -2.253470     -2.261886      2.202735
  N      -2.901041     -2.726350      3.337420
  C      -2.790015     -2.190434      4.540006
  C      -1.758652     -1.338169      5.136343
  O      -1.955200     -0.664549      6.115480
  Cl     -0.078295     -1.465778      4.469188
  C      -6.109637     -5.682193      4.859022
  C      -6.942184     -6.559763      5.591283
  C      -8.113752     -6.087410      6.165821
  C      -8.500073     -4.746589      6.010135
  C      -7.697015     -3.863282      5.301113
  C      -6.480911     -4.307727      4.750418
  N      -5.576890     -3.512183      4.040098
  C      -5.807327     -2.196323      3.992344
  C      -5.379792     -1.331826      2.919223
  O      -4.984616     -1.614940      1.812911
  Cl     -5.573681      0.409940      3.393509
  C      -1.729809     -4.746271      5.408174
  C      -0.326643     -4.633668      5.642653
  C       0.205369     -4.251469      6.857568
  C      -0.643262     -3.960427      7.936717
  C      -2.009651     -4.041896      7.757537
  C      -2.585645     -4.417000      6.522257
  N      -3.957227     -4.301229      6.413345
  C      -4.788666     -4.763982      7.277415
  C      -4.515217     -5.889108      8.217783
  O      -3.634998     -6.699516      8.153020
  Cl     -5.802935     -5.993383      9.477307
  H      -1.394629     -3.554356     -0.859644
  H      -0.494316     -1.277369     -1.102652
  H      -0.850105      0.433171      0.678318
  H      -2.011999     -0.185704      2.776141
  H      -3.561571     -2.455605      5.263424
  H      -6.667623     -7.604607      5.722799
  H      -8.742104     -6.771145      6.737361
  H      -9.439656     -4.395059      6.436576
  H      -8.028442     -2.835371      5.163766
  H      -6.452316     -1.738048      4.741722
  H       0.355221     -4.791796      4.811407
  H       1.284929     -4.142581      6.964070
  H      -0.234625     -3.643103      8.896347
  H      -2.688335     -3.759049      8.563225
  H      -5.814762     -4.386562      7.281635
  N      -5.413377     -4.757321      1.746780
  H      -5.324917     -4.658365      0.735928
  H      -6.385993     -4.952784      1.997918
74
Coordinates from ORCA-job orca E -7298.871634733156
  N      -2.830435     -4.390530      1.357224
  C      -2.800321     -5.380775      0.283029
  C      -3.476387     -6.663748      0.757131
  N      -3.311147     -6.723757      2.234588
  C      -4.189385     -7.753043      2.853676
  C      -4.408598     -7.356608      4.299637
  N      -4.922007     -5.993959      4.278357
  Mo     -3.956048     -4.652531      3.060597
  N      -2.200244     -5.194224      4.186085
  C      -1.208903     -5.887802      3.374275
  C      -1.866190     -6.986691      2.543841
  H      -0.462944     -6.375222      4.016835
  H      -0.671509     -5.183304      2.715518
  H      -1.787511     -7.954301      3.056443
  H      -1.325555     -7.089317      1.595937
  H      -5.095039     -8.061175      4.781963
  H      -3.456303     -7.368150      4.855890
  H      -5.150176     -7.743571      2.322059
  H      -3.741756     -8.753437      2.750571
  H      -1.760980     -5.580350     -0.027211
  H      -3.318701     -4.998228     -0.614667
  H      -3.015257     -7.543910      0.282265
  H      -4.546832     -6.684679      0.536773
  C      -2.172007     -3.209937      1.151797
  C      -1.484664     -2.850139     -0.030999
  C      -0.991195     -1.561265     -0.168570
  C      -1.183688     -0.595014      0.837785
  C      -1.818142     -0.940094      2.017610
  C      -2.255218     -2.263354      2.207827
  N      -2.903872     -2.726384      3.343738
  C      -2.793157     -2.186605      4.544382
  C      -1.767724     -1.326047      5.138331
  O      -1.971581     -0.652293      6.116379
  Cl     -0.088774     -1.439667      4.472069
  C      -6.116667     -5.682271      4.854234
  C      -6.951925     -6.559911      5.584362
  C      -8.120033     -6.086526      6.162746
  C      -8.502260     -4.743569      6.013627
  C      -7.698106     -3.860913      5.306964
  C      -6.483345     -4.306143      4.751551
  N      -5.579603     -3.511148      4.042962
  C      -5.808865     -2.195367      3.996025
  C      -5.378662     -1.328002      2.927492
  O      -4.979442     -1.605214      1.821829
  Cl     -5.576311      0.413512      3.409189
  C      -1.725912     -4.742293      5.402270
  C      -0.322181     -4.619043      5.629188
  C       0.213500     -4.238183      6.842965
  C      -0.630773     -3.957905      7.928645
  C      -1.997348     -4.047999      7.755280
  C      -2.577556     -4.421811      6.522332
  N      -3.949220     -4.310950      6.417729
  C      -4.781066     -4.777881      7.278145
  C      -4.507307     -5.898902      8.223860
  O      -3.625061     -6.706827      8.165529
  Cl     -5.801323     -5.991853      9.477827
  H      -1.383077     -3.560852     -0.848997
  H      -0.488416     -1.281098     -1.095313
  H      -0.855293      0.432124      0.681035
  H      -2.021654     -0.185604      2.775929
  H      -3.561380     -2.455723      5.269977
  H      -6.679058     -7.605741      5.710104
  H      -8.750325     -6.770385      6.732013
  H      -9.439499     -4.389917      6.443286
  H      -8.027279     -2.831575      5.175392
  H      -6.452946     -1.743378      4.749943
  H       0.356897     -4.767507      4.794002
  H       1.292875     -4.121702      6.943039
  H      -0.219662     -3.642238      8.887582
  H      -2.671217     -3.771259      8.567249
  H      -5.809562     -4.407276      7.278552
  N      -5.410458     -4.753197      1.735031
  H      -5.310740     -4.661520      0.725170
  H      -6.385985     -4.941686      1.979249
74
Coordinates from ORCA-job orca E -7298.872656791061
  N      -2.822942     -4.393772      1.360170
  C      -2.781780     -5.386885      0.289230
  C      -3.464628     -6.666317      0.760345
  N      -3.314380     -6.729253      2.238699
  C      -4.205869     -7.753300      2.844252
  C      -4.427973     -7.363628      4.290256
  N      -4.931272     -5.997618      4.271980
  Mo     -3.957280     -4.652111      3.060403
  N      -2.199245     -5.188738      4.182865
  C      -1.212792     -5.875028      3.358836
  C      -1.876516     -7.001470      2.573951
  H      -0.440004     -6.339050      3.985828
  H      -0.712344     -5.171787      2.670635
  H      -1.824521     -7.942504      3.136564
  H      -1.328053     -7.161860      1.637904
  H      -5.119783     -8.066241      4.767537
  H      -3.477896     -7.385006      4.850460
  H      -5.162495     -7.730622      2.305575
  H      -3.767027     -8.757612      2.737766
  H      -1.738656     -5.592595     -0.005687
  H      -3.283317     -5.005456     -0.618075
  H      -3.002021     -7.548706      0.291447
  H      -4.533650     -6.676770      0.533370
  C      -2.167749     -3.211474      1.156756
  C      -1.477365     -2.851048     -0.024064
  C      -0.988120     -1.560666     -0.163006
  C      -1.187629     -0.593022      0.840206
  C      -1.823461     -0.938921      2.018965
  C      -2.255167     -2.263187      2.212461
  N      -2.904482     -2.725460      3.349332
  C      -2.794526     -2.183849      4.548829
  C      -1.770372     -1.322608      5.144219
  O      -1.978580     -0.649880      6.122361
  Cl     -0.085279     -1.457308      4.502590
  C      -6.122574     -5.680604      4.851111
  C      -6.960102     -6.556961      5.582006
  C      -8.124048     -6.081112      6.165079
  C      -8.502174     -4.736074      6.020482
  C      -7.696715     -3.856034      5.312919
  C      -6.484334     -4.303844      4.752706
  N      -5.582276     -3.510722      4.042726
  C      -5.811318     -2.195216      3.991998
  C      -5.386567     -1.326821      2.921552
  O      -4.994832     -1.602174      1.813555
  Cl     -5.593299      0.414019      3.407021
  C      -1.722656     -4.736160      5.397141
  C      -0.318191     -4.600264      5.616928
  C       0.220094     -4.219705      6.829346
  C      -0.620317     -3.951688      7.921601
  C      -1.986889     -4.052088      7.754506
  C      -2.570287     -4.424922      6.522655
  N      -3.941376     -4.320195      6.421180
  C      -4.774994     -4.793842      7.276491
  C      -4.494857     -5.916376      8.218878
  O      -3.607588     -6.718358      8.159235
  Cl     -5.785891     -6.011214      9.476853
  H      -1.370642     -3.563095     -0.840272
  H      -0.483836     -1.280156     -1.088825
  H      -0.863466      0.435156      0.681740
  H      -2.033436     -0.183847      2.775086
  H      -3.562799     -2.453955      5.274242
  H      -6.691036     -7.604058      5.704686
  H      -8.755226     -6.764126      6.734461
  H      -9.436620     -4.379689      6.453791
  H      -8.023304     -2.825430      5.184420
  H      -6.453151     -1.745633      4.749403
  H       0.359334     -4.738228      4.778578
  H       1.299131     -4.094277      6.922472
  H      -0.207322     -3.637000      8.879961
  H      -2.658086     -3.783491      8.571448
  H      -5.805312     -4.428965      7.278062
  N      -5.405101     -4.747175      1.724363
  H      -5.295714     -4.660294      0.715149
  H      -6.383549     -4.929471      1.961465
74
Coordinates from ORCA-job orca E -7298.873508779957
  N      -2.816093     -4.395379      1.361951
  C      -2.764729     -5.392455      0.296217
  C      -3.451401     -6.669096      0.768455
  N      -3.314425     -6.737669      2.245805
  C      -4.220534     -7.755869      2.837068
  C      -4.449167     -7.374242      4.282588
  N      -4.941355     -6.004492      4.267254
  Mo     -3.956545     -4.652633      3.063001
  N      -2.196135     -5.184049      4.184306
  C      -1.216505     -5.868988      3.351452
  C      -1.886421     -7.018734      2.610127
  H      -0.420992     -6.312086      3.963981
  H      -0.749370     -5.169722      2.636727
  H      -1.865085     -7.930104      3.220860
  H      -1.328845     -7.233428      1.689482
  H      -5.147307     -8.075244      4.753106
  H      -3.504151     -7.407549      4.851054
  H      -5.171697     -7.719040      2.289647
  H      -3.788694     -8.763404      2.727997
  H      -1.718041     -5.604782      0.016426
  H      -3.250398     -5.013906     -0.620423
  H      -2.990270     -7.555250      0.305167
  H      -4.519941     -6.666224      0.537051
  C      -2.166491     -3.210480      1.159347
  C      -1.474839     -2.848262     -0.019627
  C      -0.990571     -1.555636     -0.160263
  C      -1.195296     -0.586967      0.840195
  C      -1.831279     -0.934979      2.018342
  C      -2.258220     -2.259875      2.214654
  N      -2.905303     -2.721311      3.353542
  C      -2.796437     -2.171525      4.548469
  C      -1.781717     -1.287998      5.127836
  O      -1.996001     -0.597980      6.092708
  Cl     -0.112859     -1.360360      4.439061
  C      -6.128939     -5.679911      4.847990
  C      -6.970588     -6.554099      5.579743
  C      -8.130599     -6.074549      6.166238
  C      -8.503591     -4.726864      6.025368
  C      -7.694448     -3.851052      5.316901
  C      -6.484663     -4.303242      4.753191
  N      -5.582385     -3.512804      4.043931
  C      -5.805855     -2.196701      3.989156
  C      -5.378016     -1.325057      2.920149
  O      -4.981735     -1.598266      1.814306
  Cl     -5.581743      0.413088      3.419457
  C      -1.718999     -4.735478      5.397470
  C      -0.312939     -4.597082      5.614656
  C       0.226891     -4.222589      6.827492
  C      -0.610518     -3.962828      7.924839
  C      -1.977093     -4.065698      7.761411
  C      -2.562551     -4.432546      6.527705
  N      -3.931429     -4.331030      6.427111
  C      -4.771588     -4.812193      7.273255
  C      -4.482443     -5.942255      8.204041
  O      -3.591851     -6.739633      8.133605
  Cl     -5.769583     -6.055181      9.466886
  H      -1.362380     -3.560684     -0.834933
  H      -0.485683     -1.274233     -1.085522
  H      -0.874841      0.441975      0.679503
  H      -2.045953     -0.180611      2.774415
  H      -3.557781     -2.446297      5.279827
  H      -6.708243     -7.602984      5.701600
  H      -8.763261     -6.756214      6.735744
  H      -9.435323     -4.367146      6.461550
  H      -8.016894     -2.818762      5.190397
  H      -6.446275     -1.746219      4.747543
  H       0.365858     -4.727994      4.775936
  H       1.306276     -4.095709      6.915448
  H      -0.196151     -3.653055      8.884191
  H      -2.647804     -3.804923      8.581227
  H      -5.802464     -4.450211      7.278946
  N      -5.397387     -4.742062      1.717874
  H      -5.279932     -4.656958      0.709161
  H      -6.378478     -4.920068      1.947785
74
Coordinates from ORCA-job orca E -7298.874408739694
  N      -2.805980     -4.399390      1.369851
  C      -2.737476     -5.398813      0.309446
  C      -3.437710     -6.672179      0.770916
  N      -3.317233     -6.740990      2.249311
  C      -4.233820     -7.755662      2.832124
  C      -4.458852     -7.372814      4.278717
  N      -4.946344     -6.000239      4.265374
  Mo     -3.959039     -4.654007      3.061616
  N      -2.194306     -5.182774      4.178114
  C      -1.222897     -5.856999      3.327682
  C      -1.897075     -7.034301      2.635411
  H      -0.398920     -6.274798      3.920874
  H      -0.789974     -5.161052      2.588878
  H      -1.891932     -7.912830      3.292510
  H      -1.332766     -7.303853      1.733042
  H      -5.159929     -8.069931      4.750242
  H      -3.512843     -7.408597      4.844951
  H      -5.185163     -7.710921      2.285454
  H      -3.809312     -8.765694      2.720266
  H      -1.687475     -5.613105      0.044813
  H      -3.212847     -5.022246     -0.614015
  H      -2.977110     -7.560356      0.310869
  H      -4.503940     -6.668903      0.525342
  C      -2.163577     -3.209929      1.165270
  C      -1.468418     -2.848200     -0.011769
  C      -0.995028     -1.551860     -0.156403
  C      -1.214391     -0.579974      0.838000
  C      -1.852728     -0.928057      2.015215
  C      -2.267431     -2.256511      2.214637
  N      -2.913364     -2.720971      3.352690
  C      -2.811189     -2.174323      4.549557
  C      -1.805283     -1.285777      5.138900
  O      -2.029407     -0.610012      6.111222
  Cl     -0.121902     -1.369367      4.485495
  C      -6.132702     -5.674619      4.850546
  C      -6.972177     -6.546396      5.585983
  C      -8.130690     -6.064011      6.175196
  C      -8.501777     -4.716439      6.032844
  C      -7.694463     -3.842108      5.319222
  C      -6.488670     -4.297985      4.752052
  N      -5.585852     -3.511229      4.036735
  C      -5.805227     -2.193675      3.981911
  C      -5.367114     -1.327220      2.913365
  O      -4.955758     -1.605353      1.813423
  Cl     -5.548910      0.413459      3.408599
  C      -1.711935     -4.734222      5.389445
  C      -0.307645     -4.585585      5.601201
  C       0.233857     -4.215510      6.815220
  C      -0.602960     -3.970449      7.915701
  C      -1.970152     -4.078963      7.755856
  C      -2.556666     -4.439979      6.521355
  N      -3.928137     -4.338691      6.422938
  C      -4.763141     -4.822442      7.272149
  C      -4.473190     -5.954749      8.199951
  O      -3.588319     -6.758020      8.120377
  Cl     -5.757299     -6.078118      9.463971
  H      -1.345243     -3.563875     -0.822693
  H      -0.487900     -1.271038     -1.080644
  H      -0.903283      0.451364      0.674050
  H      -2.078058     -0.171651      2.765800
  H      -3.571998     -2.458021      5.277920
  H      -6.710976     -7.595382      5.709755
  H      -8.762189     -6.743729      6.748204
  H      -9.431252     -4.354565      6.472262
  H      -8.015552     -2.809568      5.191866
  H      -6.444193     -1.734914      4.736275
  H       0.366590     -4.705424      4.756868
  H       1.312231     -4.080381      6.902773
  H      -0.187328     -3.665743      8.876276
  H      -2.640236     -3.826640      8.578772
  H      -5.793469     -4.458223      7.281409
  N      -5.390475     -4.737035      1.710952
  H      -5.266091     -4.658597      0.701801
  H      -6.374485     -4.906684      1.934869
74
Coordinates from ORCA-job orca E -7298.874949599001
  N      -2.797969     -4.394290      1.371639
  C      -2.710107     -5.396970      0.317448
  C      -3.420383     -6.668576      0.768719
  N      -3.319150     -6.743885      2.247434
  C      -4.250622     -7.754079      2.815250
  C      -4.476630     -7.376334      4.263169
  N      -4.953409     -5.999716      4.256543
  Mo     -3.960793     -4.652751      3.057525
  N      -2.191556     -5.178988      4.171775
  C      -1.228847     -5.860558      3.316760
  C      -1.911953     -7.052185      2.662797
  H      -0.388070     -6.262256      3.898453
  H      -0.816391     -5.175547      2.557935
  H      -1.935325     -7.895856      3.363364
  H      -1.340077     -7.376407      1.782618
  H      -5.184417     -8.069718      4.730221
  H      -3.533190     -7.422664      4.832603
  H      -5.199207     -7.695841      2.265228
  H      -3.834151     -8.766936      2.698616
  H      -1.655880     -5.614054      0.072246
  H      -3.170434     -5.024609     -0.615555
  H      -2.962577     -7.559433      0.310842
  H      -4.484309     -6.659051      0.511615
  C      -2.158293     -3.202556      1.170269
  C      -1.456558     -2.839132     -0.002080
  C      -0.983240     -1.541990     -0.142186
  C      -1.207277     -0.572019      0.853185
  C      -1.849980     -0.923268      2.027328
  C      -2.265287     -2.252380      2.220884
  N      -2.913693     -2.721341      3.355191
  C      -2.812899     -2.184207      4.556156
  C      -1.807623     -1.300079      5.154456
  O      -2.034240     -0.631332      6.130702
  Cl     -0.118568     -1.393041      4.515650
  C      -6.131558     -5.669367      4.855396
  C      -6.965273     -6.537812      5.600609
  C      -8.116622     -6.051104      6.201427
  C      -8.485650     -4.703038      6.060287
  C      -7.683647     -3.832028      5.335855
  C      -6.485196     -4.292488      4.758406
  N      -5.589890     -3.509916      4.027726
  C      -5.820327     -2.194181      3.961613
  C      -5.419349     -1.337035      2.870974
  O      -5.061818     -1.624924      1.754509
  Cl     -5.642643      0.406172      3.336099
  C      -1.706161     -4.733122      5.381898
  C      -0.302672     -4.581996      5.592583
  C       0.238390     -4.211669      6.806981
  C      -0.599132     -3.969929      7.907383
  C      -1.966413     -4.081524      7.748852
  C      -2.552088     -4.442087      6.513692
  N      -3.924369     -4.344795      6.415427
  C      -4.756985     -4.830876      7.265332
  C      -4.461828     -5.964311      8.190030
  O      -3.570763     -6.760974      8.110617
  Cl     -5.728663     -6.086917      9.471660
  H      -1.327391     -3.553475     -0.813324
  H      -0.471329     -1.259676     -1.063355
  H      -0.895807      0.459746      0.692605
  H      -2.078098     -0.168967      2.779137
  H      -3.572935     -2.475674      5.282265
  H      -6.706807     -7.587475      5.724792
  H      -8.743213     -6.728261      6.782753
  H      -9.409818     -4.338370      6.508558
  H      -8.003810     -2.799269      5.207923
  H      -6.451914     -1.729785      4.718759
  H       0.371163     -4.700853      4.747555
  H       1.316424     -4.074331      6.895066
  H      -0.183700     -3.665337      8.868195
  H      -2.638117     -3.833396      8.571665
  H      -5.786893     -4.465610      7.278772
  N      -5.382129     -4.728024      1.698917
  H      -5.249558     -4.650070      0.690228
  H      -6.368796     -4.893048      1.914491
74
Coordinates from ORCA-job orca E -7298.875634007899
  N      -2.795022     -4.392802      1.370514
  C      -2.686660     -5.401817      0.324809
  C      -3.399066     -6.672717      0.772870
  N      -3.318181     -6.753927      2.251270
  C      -4.265638     -7.758698      2.801148
  C      -4.504526     -7.389315      4.248341
  N      -4.967741     -6.008701      4.246140
  Mo     -3.963745     -4.656017      3.055988
  N      -2.188864     -5.174091      4.169840
  C      -1.232712     -5.868921      3.317143
  C      -1.925293     -7.071027      2.699859
  H      -0.379613     -6.256140      3.890261
  H      -0.840331     -5.197864      2.537044
  H      -1.983946     -7.875600      3.442513
  H      -1.346912     -7.449718      1.845049
  H      -5.222790     -8.079863      4.703681
  H      -3.569638     -7.450205      4.830604
  H      -5.206516     -7.686039      2.240075
  H      -3.855690     -8.774423      2.682405
  H      -1.628010     -5.622243      0.100137
  H      -3.128441     -5.037871     -0.620013
  H      -2.941230     -7.566215      0.320128
  H      -4.460796     -6.654139      0.508031
  C      -2.164263     -3.196893      1.169703
  C      -1.460889     -2.829902     -0.000177
  C      -0.995960     -1.529425     -0.140526
  C      -1.228322     -0.559912      0.853062
  C      -1.870379     -0.915368      2.026379
  C      -2.277510     -2.246490      2.220707
  N      -2.923409     -2.718539      3.355285
  C      -2.826400     -2.178823      4.554814
  C      -1.826032     -1.286372      5.148811
  O      -2.057649     -0.608705      6.117760
  Cl     -0.136239     -1.379707      4.513989
  C      -6.141513     -5.671276      4.847911
  C      -6.977758     -6.536557      5.595734
  C      -8.124388     -6.045095      6.200788
  C      -8.487745     -4.694719      6.062905
  C      -7.683295     -3.827864      5.336455
  C      -6.489092     -4.293756      4.753832
  N      -5.591628     -3.514755      4.023771
  C      -5.811436     -2.197377      3.960778
  C      -5.394484     -1.332503      2.880718
  O      -5.006090     -1.612622      1.773338
  Cl     -5.583107      0.407385      3.374455
  C      -1.701492     -4.729363      5.377529
  C      -0.296885     -4.575144      5.584697
  C       0.245701     -4.200646      6.796664
  C      -0.589089     -3.957976      7.899524
  C      -1.956043     -4.075395      7.745959
  C      -2.543658     -4.440777      6.512423
  N      -3.914631     -4.353189      6.417093
  C      -4.746752     -4.844245      7.265361
  C      -4.437874     -5.977582      8.185536
  O      -3.542438     -6.768381      8.098266
  Cl     -5.698580     -6.113771      9.473263
  H      -1.323754     -3.543727     -0.810668
  H      -0.483565     -1.244405     -1.060588
  H      -0.923109      0.473504      0.691430
  H      -2.104498     -0.163043      2.778712
  H      -3.585043     -2.473023      5.281523
  H      -6.725233     -7.587541      5.720639
  H      -8.751284     -6.719987      6.784487
  H      -9.408226     -4.326257      6.515461
  H      -7.998699     -2.793331      5.210942
  H      -6.441837     -1.732208      4.718655
  H       0.377649     -4.695381      4.740314
  H       1.323909     -4.061388      6.879840
  H      -0.172208     -3.649241      8.858361
  H      -2.627551     -3.830033      8.569730
  H      -5.777851     -4.483724      7.284668
  N      -5.376412     -4.729278      1.687249
  H      -5.235058     -4.651001      0.679739
  H      -6.365035     -4.893686      1.894019
74
Coordinates from ORCA-job orca E -7298.875776819713
  N      -2.784024     -4.398033      1.379364
  C      -2.655475     -5.409816      0.339164
  C      -3.379452     -6.676858      0.774677
  N      -3.319893     -6.757809      2.254513
  C      -4.278894     -7.758460      2.791954
  C      -4.524108     -7.392482      4.239849
  N      -4.976577     -6.007835      4.242242
  Mo     -3.966779     -4.658476      3.055681
  N      -2.187669     -5.176453      4.163983
  C      -1.237550     -5.859359      3.295118
  C      -1.934542     -7.081475      2.723751
  H      -0.361517     -6.223948      3.846722
  H      -0.881514     -5.192349      2.493569
  H      -2.009961     -7.847849      3.503861
  H      -1.354160     -7.509652      1.893950
  H      -5.251231     -8.078645      4.687105
  H      -3.593395     -7.462250      4.828111
  H      -5.215826     -7.675240      2.225734
  H      -3.877524     -8.777138      2.670412
  H      -1.593637     -5.631743      0.132409
  H      -3.081170     -5.048737     -0.614242
  H      -2.918476     -7.570779      0.326186
  H      -4.437299     -6.657448      0.494431
  C      -2.157727     -3.199640      1.178079
  C      -1.447771     -2.834328      0.011381
  C      -0.988533     -1.532187     -0.131058
  C      -1.232067     -0.559935      0.857226
  C      -1.880862     -0.913030      2.027557
  C      -2.284226     -2.245120      2.223114
  N      -2.933767     -2.716845      3.355781
  C      -2.847067     -2.169255      4.552076
  C      -1.864281     -1.253207      5.139756
  O      -2.111866     -0.566355      6.098224
  Cl     -0.178133     -1.302289      4.491634
  C      -6.145925     -5.666144      4.852271
  C      -6.979687     -6.527487      5.606878
  C      -8.120156     -6.031131      6.219847
  C      -8.478932     -4.679866      6.083576
  C      -7.677284     -3.816270      5.350193
  C      -6.489680     -4.287323      4.758573
  N      -5.594450     -3.513383      4.019492
  C      -5.810052     -2.195081      3.957370
  C      -5.388238     -1.333072      2.877847
  O      -5.003030     -1.614545      1.769527
  Cl     -5.584387      0.408686      3.362945
  C      -1.695168     -4.734606      5.371107
  C      -0.291484     -4.573383      5.573119
  C       0.253588     -4.205729      6.786308
  C      -0.579142     -3.975146      7.893227
  C      -1.946439     -4.095673      7.742815
  C      -2.536377     -4.454860      6.509042
  N      -3.909047     -4.368064      6.415882
  C      -4.737235     -4.863552      7.265349
  C      -4.429736     -5.999592      8.182654
  O      -3.543045     -6.799011      8.085170
  Cl     -5.705751     -6.152058      9.452215
  H      -1.301212     -3.551495     -0.794440
  H      -0.471169     -1.248671     -1.048781
  H      -0.930037      0.474212      0.694246
  H      -2.121730     -0.158734      2.775739
  H      -3.602831     -2.468639      5.279432
  H      -6.729263     -7.578880      5.731731
  H      -8.745234     -6.702969      6.808965
  H      -9.393898     -4.306968      6.543721
  H      -7.989404     -2.780501      5.227529
  H      -6.437107     -1.726824      4.715898
  H       0.378745     -4.682876      4.723799
  H       1.331150     -4.061017      6.868160
  H      -0.160248     -3.671552      8.852815
  H      -2.615393     -3.856106      8.570407
  H      -5.769337     -4.505081      7.284720
  N      -5.370399     -4.724777      1.678055
  H      -5.220860     -4.652749      0.671423
  H      -6.361642     -4.881902      1.878021
74
Coordinates from ORCA-job orca E -7298.876068733256
  N      -2.785011     -4.385162      1.373836
  C      -2.628628     -5.403123      0.343997
  C      -3.353308     -6.672578      0.770331
  N      -3.311708     -6.764822      2.249526
  C      -4.285743     -7.762548      2.769307
  C      -4.556301     -7.405358      4.216483
  N      -4.989903     -6.014966      4.228074
  Mo     -3.968078     -4.663410      3.051332
  N      -2.181807     -5.175800      4.162039
  C      -1.231571     -5.888367      3.316799
  C      -1.938581     -7.097913      2.736609
  H      -0.367523     -6.257381      3.884189
  H      -0.855702     -5.233154      2.514907
  H      -2.036708     -7.849087      3.528791
  H      -1.354659     -7.542588      1.918295
  H      -5.303929     -8.085493      4.639011
  H      -3.644295     -7.497345      4.830567
  H      -5.213783     -7.666975      2.190994
  H      -3.887436     -8.782109      2.646685
  H      -1.561680     -5.618427      0.158706
  H      -3.040472     -5.055312     -0.620514
  H      -2.897316     -7.568242      0.319602
  H      -4.409765     -6.649151      0.483091
  C      -2.166648     -3.183040      1.173704
  C      -1.456061     -2.811702      0.009664
  C      -1.008264     -1.505062     -0.129992
  C      -1.261981     -0.535891      0.859145
  C      -1.909375     -0.896081      2.028273
  C      -2.301252     -2.232329      2.219705
  N      -2.943082     -2.715541      3.350539
  C      -2.857878     -2.175846      4.550850
  C      -1.876449     -1.259079      5.140626
  O      -2.121441     -0.577449      6.102922
  Cl     -0.181171     -1.335244      4.513505
  C      -6.145774     -5.662670      4.857510
  C      -6.972405     -6.515439      5.629032
  C      -8.102107     -6.009158      6.255391
  C      -8.456369     -4.657384      6.115874
  C      -7.660181     -3.801435      5.366610
  C      -6.483321     -4.282496      4.763548
  N      -5.590626     -3.517466      4.009345
  C      -5.804785     -2.199335      3.936679
  C      -5.386221     -1.347644      2.847060
  O      -5.001412     -1.641334      1.741274
  Cl     -5.584397      0.397675      3.311926
  C      -1.690773     -4.739551      5.370332
  C      -0.287198     -4.593112      5.581366
  C       0.252322     -4.216273      6.794223
  C      -0.586528     -3.962927      7.891570
  C      -1.953313     -4.078559      7.735717
  C      -2.536740     -4.450543      6.501763
  N      -3.909411     -4.376932      6.404052
  C      -4.733529     -4.874142      7.256840
  C      -4.414763     -6.005128      8.176172
  O      -3.519683     -6.795706      8.080149
  Cl     -5.685029     -6.172438      9.449788
  H      -1.300916     -3.525867     -0.797329
  H      -0.491690     -1.216092     -1.046496
  H      -0.968310      0.500862      0.697307
  H      -2.156294     -0.145685      2.778286
  H      -3.611744     -2.481701      5.277083
  H      -6.726856     -7.567284      5.760179
  H      -8.720541     -6.674481      6.858747
  H      -9.363392     -4.278179      6.586572
  H      -7.968384     -2.764871      5.241339
  H      -6.427448     -1.717676      4.690360
  H       0.388611     -4.722605      4.739159
  H       1.330643     -4.081755      6.883080
  H      -0.171284     -3.647963      8.849226
  H      -2.629282     -3.830539      8.555000
  H      -5.767074     -4.519753      7.277225
  N      -5.362444     -4.728787      1.668286
  H      -5.208149     -4.643815      0.663163
  H      -6.354191     -4.893080      1.860153
74
Coordinates from ORCA-job orca E -7298.875785731589
  N      -2.782596     -4.384500      1.377444
  C      -2.608851     -5.402689      0.350711
  C      -3.342650     -6.669598      0.763602
  N      -3.318375     -6.766913      2.243682
  C      -4.301850     -7.762513      2.746099
  C      -4.585043     -7.414953      4.192446
  N      -5.006751     -6.020627      4.212760
  Mo     -3.976306     -4.667073      3.047607
  N      -2.188792     -5.180163      4.157027
  C      -1.241195     -5.889627      3.304660
  C      -1.953050     -7.107627      2.746185
  H      -0.367438     -6.249111      3.862277
  H      -0.881604     -5.237077      2.492986
  H      -2.063800     -7.838204      3.556538
  H      -1.369682     -7.580112      1.943199
  H      -5.345832     -8.091813      4.596708
  H      -3.682645     -7.522836      4.818476
  H      -5.223553     -7.656453      2.159444
  H      -3.909376     -8.783837      2.619707
  H      -1.538570     -5.616365      0.182939
  H      -3.003977     -5.055765     -0.621203
  H      -2.885459     -7.565053      0.313815
  H      -4.395860     -6.642139      0.464657
  C      -2.160829     -3.183171      1.184418
  C      -1.439813     -2.810679      0.026824
  C      -0.987506     -1.504987     -0.105199
  C      -1.245647     -0.538309      0.885346
  C      -1.901848     -0.900001      2.048930
  C      -2.299487     -2.235811      2.232653
  N      -2.948634     -2.722751      3.357785
  C      -2.861762     -2.194264      4.563082
  C      -1.874754     -1.290802      5.164126
  O      -2.124194     -0.596157      6.115854
  Cl     -0.179127     -1.371179      4.539221
  C      -6.158776     -5.666955      4.848697
  C      -6.984060     -6.520486      5.620286
  C      -8.110405     -6.013919      6.252512
  C      -8.461344     -4.661014      6.119304
  C      -7.666285     -3.804080      5.369704
  C      -6.492880     -4.285617      4.760636
  N      -5.603043     -3.521223      4.001623
  C      -5.829143     -2.205087      3.921701
  C      -5.435074     -1.357954      2.820074
  O      -5.037271     -1.654987      1.719733
  Cl     -5.596369      0.390219      3.290020
  C      -1.691567     -4.737341      5.361850
  C      -0.288164     -4.577058      5.562202
  C       0.256660     -4.191480      6.770171
  C      -0.576457     -3.941598      7.872524
  C      -1.943445     -4.067273      7.725835
  C      -2.532195     -4.447366      6.497223
  N      -3.906220     -4.382383      6.407410
  C      -4.718356     -4.878079      7.272253
  C      -4.386233     -5.997781      8.200898
  O      -3.458243     -6.752806      8.135335
  Cl     -5.593720     -6.100464      9.540424
  H      -1.280002     -3.523400     -0.780423
  H      -0.463373     -1.214594     -1.016951
  H      -0.948009      0.498198      0.729177
  H      -2.151423     -0.150892      2.799252
  H      -3.615931     -2.505249      5.286817
  H      -6.738321     -7.572662      5.748579
  H      -8.727379     -6.679469      6.857048
  H      -9.365012     -4.280679      6.595544
  H      -7.972673     -2.766349      5.249980
  H      -6.450747     -1.725082      4.677028
  H       0.381974     -4.701701      4.714827
  H       1.334333     -4.047462      6.851831
  H      -0.156828     -3.619816      8.825977
  H      -2.615147     -3.820081      8.548964
  H      -5.753415     -4.528990      7.299543
  N      -5.361924     -4.722845      1.655326
  H      -5.199652     -4.635294      0.651406
  H      -6.355524     -4.883587      1.840014
74
Coordinates from ORCA-job orca E -7298.876249547772
  N      -2.784003     -4.385855      1.375841
  C      -2.610793     -5.405221      0.349527
  C      -3.344169     -6.670662      0.764443
  N      -3.318899     -6.767843      2.244873
  C      -4.302457     -7.762782      2.744983
  C      -4.589916     -7.418446      4.189905
  N      -5.008138     -6.023268      4.211521
  Mo     -3.975555     -4.667602      3.048755
  N      -2.188283     -5.179564      4.157629
  C      -1.240060     -5.891060      3.306947
  C      -1.952978     -7.107679      2.746162
  H      -0.369958     -6.253846      3.867530
  H      -0.876838     -5.238778      2.496498
  H      -2.062878     -7.842848      3.552963
  H      -1.371570     -7.576618      1.939682
  H      -5.354743     -8.094951      4.587572
  H      -3.690877     -7.532285      4.820091
  H      -5.221968     -7.655814      2.155037
  H      -3.910262     -8.784479      2.619101
  H      -1.539520     -5.617515      0.184308
  H      -3.002070     -5.058892     -0.623943
  H      -2.887108     -7.566391      0.315297
  H      -4.397610     -6.639484      0.467949
  C      -2.158444     -3.186647      1.184223
  C      -1.435361     -2.815655      0.027274
  C      -0.980011     -1.511093     -0.104651
  C      -1.237118     -0.543582      0.885171
  C      -1.895079     -0.903603      2.048112
  C      -2.295524     -2.238297      2.232867
  N      -2.947633     -2.722222      3.357871
  C      -2.864023     -2.187464      4.560473
  C      -1.879618     -1.279184      5.157813
  O      -2.130670     -0.582809      6.108037
  Cl     -0.183250     -1.363066      4.537781
  C      -6.156828     -5.666930      4.851179
  C      -6.980944     -6.520061      5.625301
  C      -8.104264     -6.013020      6.261474
  C      -8.454049     -4.659352      6.130757
  C      -7.660081     -3.803203      5.379647
  C      -6.488851     -4.285144      4.765637
  N      -5.600668     -3.520978      4.005693
  C      -5.825284     -2.204623      3.926435
  C      -5.430288     -1.354056      2.827616
  O      -5.045318     -1.646640      1.722008
  Cl     -5.622949      0.392545      3.295117
  C      -1.691273     -4.734601      5.362088
  C      -0.287171     -4.571829      5.561225
  C       0.257996     -4.181807      6.767324
  C      -0.573929     -3.928591      7.870149
  C      -1.940547     -4.057194      7.724865
  C      -2.529884     -4.443203      6.498384
  N      -3.903281     -4.382096      6.409136
  C      -4.716522     -4.878082      7.273046
  C      -4.382317     -5.993878      8.205743
  O      -3.483825     -6.780668      8.112756
  Cl     -5.648154     -6.151505      9.484906
  H      -1.276609     -3.528909     -0.779656
  H      -0.454429     -1.221789     -1.015901
  H      -0.937129      0.492195      0.728814
  H      -2.144082     -0.153761      2.798102
  H      -3.620712     -2.494209      5.283596
  H      -6.735053     -7.572350      5.752205
  H      -8.719985     -6.678239      6.867686
  H      -9.355422     -4.277982      6.610392
  H      -7.965690     -2.764909      5.262949
  H      -6.446033     -1.727885      4.684590
  H       0.383519     -4.697030      4.714524
  H       1.335686     -4.036433      6.846549
  H      -0.154029     -3.602394      8.821890
  H      -2.611267     -3.808134      8.548257
  H      -5.752751     -4.532826      7.298023
  N      -5.362760     -4.723815      1.655818
  H      -5.199899     -4.633181      0.652504
  H      -6.356035     -4.885770      1.840687
74
Coordinates from ORCA-job orca E -7298.876040491104
  N      -2.779825     -4.390480      1.374553
  C      -2.605061     -5.411544      0.349323
  C      -3.339913     -6.674970      0.764888
  N      -3.314621     -6.769348      2.245809
  C      -4.297421     -7.764314      2.747067
  C      -4.589983     -7.419991      4.190612
  N      -5.005858     -6.023628      4.211071
  Mo     -3.971805     -4.670154      3.048036
  N      -2.185058     -5.182235      4.157133
  C      -1.234861     -5.890861      3.307480
  C      -1.946534     -7.107201      2.743828
  H      -0.368105     -6.255709      3.872035
  H      -0.867081     -5.236606      2.500438
  H      -2.051748     -7.848359      3.545565
  H      -1.365192     -7.569621      1.933552
  H      -5.359335     -8.095138      4.582065
  H      -3.694660     -7.537324      4.825433
  H      -5.215771     -7.659623      2.154870
  H      -3.904388     -8.786039      2.623899
  H      -1.532206     -5.618650      0.187622
  H      -2.994843     -5.065839     -0.624962
  H      -2.882348     -7.571053      0.316913
  H      -4.392929     -6.643950      0.466773
  C      -2.157195     -3.190143      1.179401
  C      -1.434931     -2.820631      0.021313
  C      -0.989321     -1.513469     -0.117883
  C      -1.256523     -0.541545      0.864806
  C      -1.914309     -0.899068      2.028622
  C      -2.303381     -2.235795      2.221787
  N      -2.953257     -2.717254      3.349126
  C      -2.884772     -2.164503      4.544234
  C      -1.923806     -1.223572      5.129459
  O      -2.185863     -0.541152      6.086799
  Cl     -0.222591     -1.284186      4.520644
  C      -6.151818     -5.663555      4.854580
  C      -6.973623     -6.513754      5.634584
  C      -8.093474     -6.003951      6.274447
  C      -8.441457     -4.649854      6.142971
  C      -7.649134     -3.796219      5.387416
  C      -6.482347     -4.281382      4.767090
  N      -5.592499     -3.519907      4.006416
  C      -5.798954     -2.199979      3.938557
  C      -5.366611     -1.342076      2.859656
  O      -4.986131     -1.626303      1.750423
  Cl     -5.610469      0.399967      3.321693
  C      -1.691868     -4.742598      5.364583
  C      -0.287871     -4.590811      5.572294
  C       0.253106     -4.212916      6.784031
  C      -0.583318     -3.959988      7.883672
  C      -1.949945     -4.078686      7.729763
  C      -2.534571     -4.455303      6.498114
  N      -3.907588     -4.390435      6.401220
  C      -4.726162     -4.889150      7.258700
  C      -4.399785     -6.010567      8.187601
  O      -3.488588     -6.784301      8.110116
  Cl     -5.656547     -6.152805      9.477466
  H      -1.270420     -3.537283     -0.781429
  H      -0.464492     -1.225690     -1.030048
  H      -0.964456      0.495546      0.702282
  H      -2.170543     -0.146332      2.773357
  H      -3.642046     -2.470710      5.266874
  H      -6.727513     -7.565663      5.763499
  H      -8.707591     -6.667018      6.884653
  H      -9.339349     -4.265623      6.626835
  H      -7.952551     -2.757078      5.273216
  H      -6.419989     -1.722256      4.695820
  H       0.386570     -4.715677      4.728434
  H       1.331277     -4.075328      6.870224
  H      -0.166535     -3.642468      8.839670
  H      -2.623363     -3.829685      8.550969
  H      -5.763520     -4.546244      7.275592
  N      -5.359270     -4.726208      1.655964
  H      -5.197177     -4.633458      0.653733
  H      -6.352377     -4.888142      1.841804
74
Coordinates from ORCA-job orca E -7298.876418022625
  N      -2.780547     -4.386976      1.375251
  C      -2.600145     -5.408202      0.350804
  C      -3.337680     -6.670890      0.762186
  N      -3.316961     -6.767750      2.243284
  C      -4.302277     -7.762700      2.739173
  C      -4.598803     -7.422166      4.182679
  N      -5.010609     -6.024605      4.206622
  Mo     -3.974663     -4.669601      3.047398
  N      -2.187900     -5.181956      4.156722
  C      -1.237802     -5.892623      3.308286
  C      -1.951121     -7.108166      2.744996
  H      -0.371574     -6.257591      3.873750
  H      -0.868890     -5.239464      2.501125
  H      -2.059924     -7.846512      3.548896
  H      -1.369651     -7.574681      1.937172
  H      -5.372754     -8.096064      4.567371
  H      -3.707109     -7.545420      4.821488
  H      -5.218859     -7.655088      2.144792
  H      -3.910406     -8.784675      2.614444
  H      -1.526034     -5.613806      0.195921
  H      -2.984437     -5.062999     -0.625870
  H      -2.880796     -7.567153      0.313845
  H      -4.389806     -6.637637      0.461225
  C      -2.156227     -3.187229      1.183042
  C      -1.431016     -2.816656      0.027038
  C      -0.981883     -1.510315     -0.107846
  C      -1.247818     -0.540444      0.877324
  C      -1.907689     -0.899481      2.039437
  C      -2.300770     -2.235829      2.228068
  N      -2.951061     -2.720379      3.353774
  C      -2.873594     -2.178821      4.553714
  C      -1.901172     -1.253930      5.145737
  O      -2.159627     -0.561370      6.096706
  Cl     -0.202629     -1.322436      4.529850
  C      -6.152266     -5.663633      4.857226
  C      -6.970230     -6.513814      5.641045
  C      -8.087614     -6.004153      6.285561
  C      -8.436769     -4.650458      6.154500
  C      -7.647914     -3.796810      5.395182
  C      -6.482731     -4.281397      4.771726
  N      -5.598398     -3.520282      4.003866
  C      -5.820430     -2.203675      3.921844
  C      -5.415875     -1.355319      2.824942
  O      -5.024668     -1.649140      1.721865
  Cl     -5.622116      0.392188      3.284780
  C      -1.693166     -4.739243      5.362600
  C      -0.289308     -4.583835      5.567514
  C       0.252536     -4.199320      6.776869
  C      -0.582911     -3.943505      7.876576
  C      -1.949498     -4.066191      7.725269
  C      -2.534863     -4.449345      6.496078
  N      -3.908353     -4.389415      6.400642
  C      -4.723326     -4.887615      7.261773
  C      -4.392270     -6.004203      8.194822
  O      -3.485476     -6.782579      8.112585
  Cl     -5.655203     -6.154005      9.477649
  H      -1.266704     -3.531699     -0.777160
  H      -0.454869     -1.221421     -1.018401
  H      -0.952922      0.496364      0.718103
  H      -2.162841     -0.147996      2.785673
  H      -3.628332     -2.488232      5.277484
  H      -6.722847     -7.565481      5.769505
  H      -8.698820     -6.667137      6.898755
  H      -9.333050     -4.266337      6.641437
  H      -7.952784     -2.758052      5.281108
  H      -6.440944     -1.724162      4.678294
  H       0.384035     -4.710832      4.723046
  H       1.330523     -4.059162      6.861273
  H      -0.165331     -3.620735      8.830477
  H      -2.622360     -3.815475      8.546421
  H      -5.761512     -4.547368      7.279627
  N      -5.359218     -4.721872      1.652757
  H      -5.194630     -4.625379      0.651333
  H      -6.352808     -4.883505      1.836105
74
Coordinates from ORCA-job orca E -7298.876442167451
  N      -2.781771     -4.387039      1.376258
  C      -2.592755     -5.409655      0.354305
  C      -3.334964     -6.670384      0.761125
  N      -3.320935     -6.769833      2.242054
  C      -4.310432     -7.764200      2.729960
  C      -4.615383     -7.428372      4.172343
  N      -5.021039     -6.028869      4.199389
  Mo     -3.978930     -4.672544      3.047220
  N      -2.191129     -5.183920      4.156701
  C      -1.243176     -5.898300      3.308436
  C      -1.959501     -7.114627      2.750861
  H      -0.376339     -6.262616      3.873513
  H      -0.874683     -5.248014      2.499129
  H      -2.075116     -7.846328      3.559898
  H      -1.377589     -7.590112      1.948318
  H      -5.397308     -8.099887      4.545388
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  H      -5.223407     -7.653353      2.130624
  H      -3.919478     -8.786512      2.604873
  H      -1.516519     -5.613344      0.211890
  H      -2.967648     -5.065680     -0.626428
  H      -2.879667     -7.567941      0.313597
  H      -4.385774     -6.633237      0.455247
  C      -2.155266     -3.187985      1.187633
  C      -1.424208     -2.817217      0.035354
  C      -0.972078     -1.511449     -0.095749
  C      -1.240033     -0.542458      0.889710
  C      -1.904746     -0.902175      2.048890
  C      -2.300965     -2.238077      2.233835
  N      -2.955653     -2.723524      3.356470
  C      -2.879528     -2.186177      4.558239
  C      -1.904638     -1.267715      5.156399
  O      -2.166512     -0.566694      6.100105
  Cl     -0.203259     -1.346226      4.549485
  C      -6.163198     -5.667505      4.848635
  C      -6.983241     -6.518906      5.628964
  C      -8.102168     -6.010071      6.271741
  C      -8.449303     -4.655644      6.143563
  C      -7.657469     -3.800742      5.388298
  C      -6.492054     -4.285113      4.765475
  N      -5.604083     -3.523466      4.002192
  C      -5.824688     -2.206430      3.921929
  C      -5.415541     -1.354970      2.828965
  O      -5.024455     -1.645068      1.724904
  Cl     -5.636842      0.390580      3.289351
  C      -1.691284     -4.735159      5.358403
  C      -0.286752     -4.573002      5.553818
  C       0.260972     -4.180306      6.757877
  C      -0.568500     -3.922858      7.861698
  C      -1.935525     -4.051487      7.719628
  C      -2.526803     -4.442485      6.495721
  N      -3.900915     -4.388389      6.407981
  C      -4.707446     -4.884241      7.278698
  C      -4.364024     -5.993589      8.215908
  O      -3.457601     -6.771867      8.128364
  Cl     -5.612670     -6.138019      9.513415
  H      -1.257323     -3.531363     -0.769128
  H      -0.440556     -1.222262     -1.003604
  H      -0.942678      0.494036      0.733019
  H      -2.161178     -0.151329      2.795384
  H      -3.636294     -2.496593      5.279523
  H      -6.735806     -7.570585      5.757371
  H      -8.714572     -6.673777      6.882921
  H      -9.345703     -4.271482      6.630245
  H      -7.960545     -2.761085      5.277664
  H      -6.447980     -1.727830      4.676596
  H       0.381906     -4.700701      4.705698
  H       1.338924     -4.035555      6.834948
  H      -0.146084     -3.593832      8.811342
  H      -2.604527     -3.799741      8.543623
  H      -5.745795     -4.545725      7.305227
  N      -5.359654     -4.719228      1.649702
  H      -5.191956     -4.616957      0.648980
  H      -6.353922     -4.879943      1.829977
74
Coordinates from ORCA-job orca E -7298.876527333775
  N      -2.780064     -4.386994      1.374917
  C      -2.583298     -5.411442      0.355156
  C      -3.330529     -6.669310      0.757969
  N      -3.322492     -6.769714      2.239172
  C      -4.315087     -7.763670      2.720604
  C      -4.625393     -7.432610      4.162494
  N      -5.024887     -6.031189      4.193313
  Mo     -3.980047     -4.673567      3.045205
  N      -2.191773     -5.184241      4.154345
  C      -1.244634     -5.901233      3.307016
  C      -1.963679     -7.117492      2.753231
  H      -0.379099     -6.266605      3.873508
  H      -0.874191     -5.253203      2.496948
  H      -2.084468     -7.844894      3.565372
  H      -1.381761     -7.599450      1.954447
  H      -5.414000     -8.101822      4.525773
  H      -3.745712     -7.573587      4.814129
  H      -5.225448     -7.650027      2.117834
  H      -3.925463     -8.786428      2.594398
  H      -1.504953     -5.613037      0.225907
  H      -2.948059     -5.068438     -0.629602
  H      -2.876139     -7.567986      0.311798
  H      -4.379895     -6.627641      0.448036
  C      -2.152107     -3.188558      1.188398
  C      -1.416383     -2.818451      0.038699
  C      -0.963710     -1.512824     -0.091502
  C      -1.235422     -0.543144      0.892231
  C      -1.904343     -0.902196      2.049173
  C      -2.300986     -2.237968      2.233640
  N      -2.958563     -2.722904      3.354779
  C      -2.887750     -2.182252      4.555207
  C      -1.920239     -1.255250      5.152435
  O      -2.187552     -0.558315      6.097631
  Cl     -0.215771     -1.330649      4.555131
  C      -6.159862     -5.666349      4.853555
  C      -6.973907     -6.516148      5.642019
  C      -8.086814     -6.005818      6.293857
  C      -8.433758     -4.651192      6.167199
  C      -7.647257     -3.797797      5.404841
  C      -6.487357     -4.283533      4.772677
  N      -5.605197     -3.523612      4.001070
  C      -5.829627     -2.207712      3.914712
  C      -5.425818     -1.359648      2.817237
  O      -5.031031     -1.652020      1.715221
  Cl     -5.644565      0.387432      3.274647
  C      -1.692305     -4.735452      5.356104
  C      -0.288002     -4.573229      5.553171
  C       0.257856     -4.180511      6.758100
  C      -0.573129     -3.922585      7.860781
  C      -1.939943     -4.051545      7.716781
  C      -2.529073     -4.443612      6.492318
  N      -3.903212     -4.393124      6.401578
  C      -4.710049     -4.890641      7.271014
  C      -4.365948     -5.998082      8.210332
  O      -3.457343     -6.774041      8.126077
  Cl     -5.617706     -6.143063      9.504823
  H      -1.246451     -3.533065     -0.764711
  H      -0.428590     -1.224208     -0.997423
  H      -0.937512      0.493252      0.735997
  H      -2.163236     -0.150876      2.794388
  H      -3.644882     -2.494122      5.275481
  H      -6.725258     -7.567523      5.770139
  H      -8.694530     -6.668318      6.911001
  H      -9.325453     -4.265370      6.661135
  H      -7.950274     -2.757823      5.297126
  H      -6.452257     -1.727850      4.669030
  H       0.381940     -4.700729      4.706051
  H       1.335694     -4.035675      6.836682
  H      -0.151994     -3.593134      8.810819
  H      -2.609960     -3.799592      8.539923
  H      -5.750009     -4.556685      7.293642
  N      -5.357939     -4.715174      1.645161
  H      -5.187056     -4.606645      0.646008
  H      -6.352785     -4.874936      1.822804
74
Coordinates from ORCA-job orca E -7298.876577928545
  N      -2.775335     -4.388170      1.373876
  C      -2.565986     -5.415934      0.357497
  C      -3.322853     -6.668308      0.754060
  N      -3.324089     -6.769171      2.235671
  C      -4.321015     -7.763233      2.707706
  C      -4.641380     -7.439012      4.148588
  N      -5.030724     -6.034481      4.184415
  Mo     -3.980346     -4.675638      3.043079
  N      -2.192860     -5.185918      4.153794
  C      -1.245755     -5.906147      3.309617
  C      -1.967874     -7.120501      2.756155
  H      -0.384604     -6.274886      3.881058
  H      -0.868147     -5.260195      2.501321
  H      -2.094885     -7.845927      3.568852
  H      -1.384922     -7.606668      1.960585
  H      -5.441242     -8.103706      4.495740
  H      -3.770320     -7.593460      4.808429
  H      -5.227024     -7.646743      2.099017
  H      -3.932400     -8.786344      2.580528
  H      -1.484527     -5.615552      0.253481
  H      -2.913210     -5.074116     -0.633618
  H      -2.870389     -7.569358      0.310712
  H      -4.369629     -6.619062      0.436770
  C      -2.148866     -3.189046      1.188721
  C      -1.408558     -2.818781      0.041703
  C      -0.961527     -1.511479     -0.090208
  C      -1.243671     -0.539836      0.888654
  C      -1.916132     -0.898800      2.043547
  C      -2.305620     -2.236220      2.231055
  N      -2.961493     -2.722706      3.352720
  C      -2.893430     -2.180607      4.552616
  C      -1.933394     -1.245223      5.149762
  O      -2.211371     -0.540813      6.086345
  Cl     -0.227241     -1.307666      4.557259
  C      -6.156093     -5.664499      4.858846
  C      -6.962180     -6.512084      5.657965
  C      -8.067667     -5.999959      6.320796
  C      -8.414460     -4.645174      6.195614
  C      -7.634590     -3.793737      5.424460
  C      -6.481807     -4.281216      4.780501
  N      -5.606174     -3.523592      3.999396
  C      -5.833492     -2.208957      3.905618
  C      -5.426785     -1.363528      2.807156
  O      -5.023941     -1.656588      1.708413
  Cl     -5.654222      0.384516      3.259349
  C      -1.693869     -4.736950      5.355265
  C      -0.289614     -4.579256      5.554800
  C       0.254420     -4.187644      6.760991
  C      -0.578358     -3.926036      7.861616
  C      -1.945252     -4.052105      7.714788
  C      -2.532020     -4.444866      6.489666
  N      -3.906224     -4.398377      6.394415
  C      -4.713592     -4.897281      7.262598
  C      -4.369313     -6.001763      8.205512
  O      -3.458359     -6.775332      8.126261
  Cl     -5.625140     -6.145724      9.496307
  H      -1.231716     -3.534616     -0.759093
  H      -0.423302     -1.222961     -0.994321
  H      -0.950815      0.497676      0.730351
  H      -2.182792     -0.146216      2.784618
  H      -3.648324     -2.496610      5.273232
  H      -6.711278     -7.562825      5.786279
  H      -8.669295     -6.660815      6.945628
  H      -9.300047     -4.257029      6.698608
  H      -7.937302     -2.753241      5.321182
  H      -6.458462     -1.727362      4.656776
  H       0.381837     -4.709966      4.709215
  H       1.332492     -4.045916      6.842083
  H      -0.158327     -3.596927      8.812231
  H      -2.616141     -3.798083      8.536629
  H      -5.755718     -4.569497      7.279378
  N      -5.353272     -4.707553      1.639556
  H      -5.177369     -4.586628      0.644025
  H      -6.349115     -4.865419      1.812943
74
Coordinates from ORCA-job orca E -7298.876607822131
  N      -2.774903     -4.388798      1.373343
  C      -2.557998     -5.418468      0.359339
  C      -3.322117     -6.666938      0.751848
  N      -3.327968     -6.768417      2.233352
  C      -4.326913     -7.763168      2.700113
  C      -4.652030     -7.442828      4.140725
  N      -5.036170     -6.036801      4.179575
  Mo     -3.982757     -4.676692      3.042309
  N      -2.194802     -5.186323      4.153850
  C      -1.249282     -5.909548      3.310562
  C      -1.973663     -7.122558      2.757565
  H      -0.389955     -6.280544      3.883661
  H      -0.867729     -5.265211      2.503021
  H      -2.104971     -7.846126      3.571080
  H      -1.390060     -7.611700      1.964172
  H      -5.457660     -8.104846      4.479882
  H      -3.785167     -7.604288      4.804225
  H      -5.230875     -7.645387      2.088687
  H      -3.938096     -8.786073      2.571763
  H      -1.475601     -5.620739      0.271644
  H      -2.893279     -5.076935     -0.635626
  H      -2.872217     -7.570145      0.310201
  H      -4.367418     -6.612324      0.430245
  C      -2.146599     -3.190412      1.190557
  C      -1.400301     -2.821373      0.046909
  C      -0.950386     -1.514858     -0.083228
  C      -1.234731     -0.542625      0.894414
  C      -1.912645     -0.900600      2.046475
  C      -2.305706     -2.237173      2.232016
  N      -2.966057     -2.722301      3.351541
  C      -2.902973     -2.177799      4.550301
  C      -1.949347     -1.235221      5.146689
  O      -2.230789     -0.537871      6.087480
  Cl     -0.240465     -1.297071      4.563320
  C      -6.159616     -5.666369      4.856997
  C      -6.964172     -6.515075      5.656512
  C      -8.069497     -6.004371      6.320837
  C      -8.416556     -4.649491      6.197754
  C      -7.637298     -3.796882      5.427095
  C      -6.485416     -4.283262      4.780803
  N      -5.610833     -3.524910      3.999233
  C      -5.841047     -2.211132      3.902980
  C      -5.435117     -1.364815      2.804725
  O      -5.030278     -1.655846      1.706225
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  C      -1.692562     -4.735558      5.353208
  C      -0.287726     -4.578394      5.548280
  C       0.259892     -4.185387      6.752465
  C      -0.569602     -3.921948      7.855071
  C      -1.937049     -4.047764      7.712565
  C      -2.527265     -4.442151      6.489734
  N      -3.901749     -4.397396      6.397853
  C      -4.705431     -4.894753      7.270427
  C      -4.356076     -5.995561      8.215876
  O      -3.445692     -6.769628      8.134895
  Cl     -5.604639     -6.134729      9.514455
  H      -1.220412     -3.537588     -0.752878
  H      -0.407210     -1.227550     -0.984773
  H      -0.939065      0.494299      0.737517
  H      -2.180303     -0.147680      2.786927
  H      -3.657917     -2.495465      5.270150
  H      -6.711770     -7.565547      5.784159
  H      -8.669860     -6.666049      6.945997
  H      -9.301330     -4.261825      6.702538
  H      -7.940105     -2.756122      5.326861
  H      -6.469133     -1.730050      4.651786
  H       0.381130     -4.710848      4.700854
  H       1.338256     -4.044025      6.830355
  H      -0.146597     -3.591793      8.804015
  H      -2.605461     -3.792678      8.536107
  H      -5.747698     -4.567923      7.290640
  N      -5.353362     -4.701872      1.637691
  H      -5.174738     -4.571873      0.643446
  H      -6.349801     -4.858415      1.808658
74
Coordinates from ORCA-job orca E -7298.876629462521
  N      -2.774498     -4.390329      1.372830
  C      -2.555661     -5.420547      0.359875
  C      -3.324314     -6.666685      0.750421
  N      -3.331070     -6.768702      2.231782
  C      -4.330460     -7.763752      2.697106
  C      -4.653921     -7.444462      4.138376
  N      -5.036904     -6.038268      4.178582
  Mo     -3.983432     -4.677580      3.041502
  N      -2.195390     -5.186609      4.153444
  C      -1.251537     -5.912275      3.309842
  C      -1.977542     -7.124597      2.757411
  H      -0.392377     -6.284659      3.882251
  H      -0.868916     -5.269194      2.501851
  H      -2.111341     -7.846787      3.571779
  H      -1.394008     -7.615761      1.965190
  H      -5.459526     -8.105829      4.478588
  H      -3.785847     -7.606821      4.800127
  H      -5.234552     -7.644923      2.086083
  H      -3.941719     -8.786454      2.566984
  H      -1.473838     -5.627590      0.276489
  H      -2.884887     -5.078324     -0.636572
  H      -2.876776     -7.571483      0.309630
  H      -4.369139     -6.608363      0.427722
  C      -2.145445     -3.192256      1.191023
  C      -1.396610     -2.823914      0.048776
  C      -0.944828     -1.517966     -0.080561
  C      -1.229403     -0.545527      0.896820
  C      -1.909365     -0.903100      2.047825
  C      -2.304486     -2.239162      2.232461
  N      -2.967518     -2.723257      3.350936
  C      -2.906411     -2.178898      4.549718
  C      -1.952193     -1.238786      5.149047
  O      -2.236412     -0.536994      6.085733
  Cl     -0.241816     -1.305425      4.571408
  C      -6.160019     -5.668030      4.856760
  C      -6.964123     -6.517241      5.656288
  C      -8.069214     -6.007137      6.321416
  C      -8.416534     -4.652212      6.199359
  C      -7.637695     -3.799115      5.428889
  C      -6.486161     -4.284997      4.781520
  N      -5.611835     -3.525893      4.000477
  C      -5.840695     -2.211884      3.906780
  C      -5.431955     -1.362315      2.811963
  O      -5.029778     -1.649714      1.711555
  Cl     -5.660748      0.383901      3.271805
  C      -1.692301     -4.733723      5.351748
  C      -0.287790     -4.571072      5.545063
  C       0.259486     -4.173579      6.748006
  C      -0.569934     -3.911430      7.850916
  C      -1.937126     -4.041945      7.709949
  C      -2.527113     -4.439714      6.488176
  N      -3.901645     -4.397735      6.396509
  C      -4.704619     -4.896218      7.268981
  C      -4.353200     -5.995714      8.215228
  O      -3.441004     -6.767752      8.135304
  Cl     -5.600614     -6.135600      9.515020
  H      -1.215675     -3.540378     -0.750557
  H      -0.399621     -1.231366     -0.981106
  H      -0.932208      0.491064      0.740651
  H      -2.177154     -0.150088      2.788175
  H      -3.663362     -2.495679      5.267956
  H      -6.711603     -7.567798      5.783069
  H      -8.669104     -6.669276      6.946547
  H      -9.301073     -4.264947      6.704858
  H      -7.940620     -2.758293      5.329690
  H      -6.469621     -1.731805      4.655562
  H       0.380662     -4.702181      4.697207
  H       1.337395     -4.028047      6.824579
  H      -0.147278     -3.578073      8.798905
  H      -2.605612     -3.787424      8.533606
  H      -5.747409     -4.571058      7.289192
  N      -5.354194     -4.699170      1.636637
  H      -5.174281     -4.564236      0.641576
  H      -6.350977     -4.854688      1.806419
74
Coordinates from ORCA-job orca E -7298.876645499457
  N      -2.772364     -4.391594      1.373269
  C      -2.551770     -5.422118      0.361262
  C      -3.324775     -6.666137      0.750011
  N      -3.332110     -6.768040      2.231358
  C      -4.331267     -7.763821      2.696322
  C      -4.653727     -7.444650      4.138069
  N      -5.036614     -6.038544      4.178721
  Mo     -3.982720     -4.677880      3.041407
  N      -2.195816     -5.187275      4.155538
  C      -1.252064     -5.913150      3.312344
  C      -1.978067     -7.124114      2.756738
  H      -0.393754     -6.286937      3.885249
  H      -0.867283     -5.269467      2.505701
  H      -2.112191     -7.848050      3.569488
  H      -1.393915     -7.613186      1.963782
  H      -5.458482     -8.105762      4.480352
  H      -3.784281     -7.606373      4.798259
  H      -5.235575     -7.644693      2.085673
  H      -3.941921     -8.786073      2.564890
  H      -1.470577     -5.633800      0.281214
  H      -2.876141     -5.079200     -0.636371
  H      -2.879537     -7.572472      0.309996
  H      -4.369129     -6.604598      0.426209
  C      -2.145737     -3.192368      1.190529
  C      -1.397005     -2.823635      0.048301
  C      -0.948066     -1.516870     -0.082373
  C      -1.235210     -0.543942      0.893841
  C      -1.914599     -0.901894      2.045063
  C      -2.306955     -2.238640      2.230887
  N      -2.967755     -2.723587      3.350440
  C      -2.904662     -2.180480      4.549729
  C      -1.949482     -1.241107      5.148906
  O      -2.233630     -0.537584      6.084351
  Cl     -0.240276     -1.305795      4.567988
  C      -6.160581     -5.668812      4.855956
  C      -6.965114     -6.518273      5.654867
  C      -8.070885     -6.008615      6.319193
  C      -8.418729     -4.653868      6.196904
  C      -7.639587     -3.800492      5.427109
  C      -6.487240     -4.285918      4.780824
  N      -5.612497     -3.526195      4.000880
  C      -5.841410     -2.212499      3.907249
  C      -5.429627     -1.361685      2.814351
  O      -5.028208     -1.647795      1.713332
  Cl     -5.656833      0.384136      3.276418
  C      -1.691998     -4.734287      5.353375
  C      -0.287281     -4.574507      5.546304
  C       0.260864     -4.176583      6.748766
  C      -0.568089     -3.911652      7.851301
  C      -1.935574     -4.040388      7.710985
  C      -2.526443     -4.438412      6.489759
  N      -3.901005     -4.395816      6.398810
  C      -4.703874     -4.893986      7.271476
  C      -4.352099     -5.992558      8.218622
  O      -3.439432     -6.764142      8.139560
  Cl     -5.600580     -6.133581      9.517341
  H      -1.213699     -3.540682     -0.749969
  H      -0.403075     -1.230211     -0.983025
  H      -0.940224      0.493140      0.736756
  H      -2.184073     -0.148780      2.784652
  H      -3.659804     -2.498566      5.269236
  H      -6.712605     -7.568828      5.781622
  H      -8.670965     -6.671048      6.943834
  H      -9.303877     -4.267048      6.701682
  H      -7.942749     -2.759761      5.327684
  H      -6.472507     -1.732327      4.654204
  H       0.380647     -4.708797      4.698460
  H       1.339043     -4.033043      6.825190
  H      -0.144796     -3.578035      8.798925
  H      -2.603458     -3.784604      8.534737
  H      -5.746593     -4.568557      7.291894
  N      -5.353208     -4.695688      1.636188
  H      -5.172450     -4.555079      0.642171
  H      -6.350427     -4.850165      1.804391
74
Coordinates from ORCA-job orca E -7298.876654751957
  N      -2.770481     -4.393083      1.372816
  C      -2.547660     -5.423840      0.361903
  C      -3.325556     -6.665470      0.748444
  N      -3.333788     -6.767497      2.229935
  C      -4.332894     -7.763962      2.694088
  C      -4.654850     -7.445571      4.136168
  N      -5.037296     -6.039455      4.177697
  Mo     -3.982695     -4.678728      3.040449
  N      -2.196749     -5.188272      4.156682
  C      -1.253040     -5.914522      3.313922
  C      -1.979260     -7.123888      2.754790
  H      -0.395947     -6.290129      3.887533
  H      -0.865768     -5.270168      2.508907
  H      -2.113330     -7.849975      3.565620
  H      -1.394812     -7.610640      1.960722
  H      -5.459078     -8.106555      4.479717
  H      -3.784619     -7.607358      4.795355
  H      -5.237211     -7.643920      2.083612
  H      -3.943175     -8.785818      2.561089
  H      -1.466967     -5.640451      0.287066
  H      -2.866400     -5.080415     -0.637382
  H      -2.883181     -7.573428      0.308848
  H      -4.369373     -6.599905      0.423716
  C      -2.144578     -3.193393      1.190234
  C      -1.394278     -2.824707      0.048978
  C      -0.946143     -1.517696     -0.081798
  C      -1.235390     -0.544436      0.893511
  C      -1.916011     -0.902363      2.043999
  C      -2.307792     -2.239295      2.229762
  N      -2.969226     -2.724245      3.348987
  C      -2.907283     -2.180519      4.548035
  C      -1.952709     -1.240413      5.147179
  O      -2.238183     -0.534894      6.080715
  Cl     -0.243093     -1.306132      4.567979
  C      -6.160527     -5.669776      4.856280
  C      -6.963887     -6.519096      5.656568
  C      -8.068722     -6.009472      6.322451
  C      -8.416958     -4.654809      6.200559
  C      -7.638931     -3.801499      5.429616
  C      -6.487408     -4.286932      4.781847
  N      -5.613569     -3.526907      4.001091
  C      -5.842999     -2.213628      3.907279
  C      -5.430482     -1.361698      2.815296
  O      -5.030401     -1.646610      1.713503
  Cl     -5.652534      0.383822      3.280815
  C      -1.692370     -4.734801      5.354009
  C      -0.287603     -4.575945      5.546681
  C       0.260749     -4.176277      6.748492
  C      -0.568178     -3.908815      7.850403
  C      -1.935745     -4.037374      7.710557
  C      -2.526812     -4.437319      6.490071
  N      -3.901414     -4.395358      6.399423
  C      -4.704116     -4.894054      7.271885
  C      -4.351657     -5.991791      8.219727
  O      -3.437383     -6.761636      8.142274
  Cl     -5.602157     -6.135558      9.516233
  H      -1.208613     -3.542247     -0.748306
  H      -0.399944     -1.231266     -0.981790
  H      -0.940859      0.492774      0.736417
  H      -2.186678     -0.149229      2.783150
  H      -3.662796     -2.498220      5.267300
  H      -6.711226     -7.569606      5.783335
  H      -8.667672     -6.671922      6.948163
  H      -9.301405     -4.268087      6.706643
  H      -7.942085     -2.760731      5.330667
  H      -6.475285     -1.733249      4.653122
  H       0.380049     -4.712478      4.698974
  H       1.339009     -4.033334      6.824834
  H      -0.144775     -3.573620      8.797433
  H      -2.603489     -3.780356      8.534032
  H      -5.747133     -4.569500      7.291725
  N      -5.352523     -4.691651      1.634850
  H      -5.170878     -4.543549      0.643283
  H      -6.350274     -4.844891      1.800986
74
Coordinates from ORCA-job orca E -7298.876657971613
  N      -2.769206     -4.393856      1.372963
  C      -2.546835     -5.424498      0.362420
  C      -3.326337     -6.665301      0.748678
  N      -3.333946     -6.767205      2.230337
  C      -4.332715     -7.763660      2.695085
  C      -4.652808     -7.444941      4.137337
  N      -5.036597     -6.039281      4.178371
  Mo     -3.982013     -4.678852      3.040338
  N      -2.196730     -5.188604      4.157629
  C      -1.252931     -5.914142      3.314176
  C      -1.978992     -7.123511      2.754486
  H      -0.395541     -6.290049      3.887105
  H      -0.866229     -5.269199      2.509344
  H      -2.112345     -7.850409      3.564757
  H      -1.394741     -7.609605      1.959904
  H      -5.455010     -8.106836      4.483831
  H      -3.780885     -7.604804      4.794843
  H      -5.237522     -7.642962      2.085423
  H      -3.943273     -8.785509      2.561322
  H      -1.466715     -5.644210      0.287148
  H      -2.864368     -5.080994     -0.637305
  H      -2.885430     -7.573869      0.308949
  H      -4.370252     -6.597975      0.424803
  C      -2.144562     -3.193539      1.189645
  C      -1.395004     -2.824489      0.048033
  C      -0.948266     -1.517068     -0.083290
  C      -1.238167     -0.543819      0.891848
  C      -1.918025     -0.902021      2.042680
  C      -2.308628     -2.239252      2.228842
  N      -2.968744     -2.724773      3.348683
  C      -2.904907     -2.181272      4.547822
  C      -1.949451     -1.240892      5.145118
  O      -2.232396     -0.537579      6.081083
  Cl     -0.241130     -1.306146      4.562138
  C      -6.160256     -5.670061      4.856320
  C      -6.963989     -6.519568      5.656040
  C      -8.069118     -6.010163      6.321500
  C      -8.417449     -4.655480      6.199860
  C      -7.639186     -3.802005      5.429416
  C      -6.487339     -4.287264      4.781993
  N      -5.613401     -3.526950      4.001606
  C      -5.842954     -2.213805      3.907993
  C      -5.430589     -1.361354      2.816225
  O      -5.031777     -1.645974      1.713930
  Cl     -5.650036      0.384009      3.283311
  C      -1.692517     -4.735187      5.355044
  C      -0.287704     -4.577366      5.548527
  C       0.260319     -4.177690      6.750448
  C      -0.569006     -3.909035      7.851786
  C      -1.936554     -4.036766      7.711273
  C      -2.527325     -4.436923      6.490690
  N      -3.901859     -4.394597      6.399958
  C      -4.705130     -4.893723      7.271546
  C      -4.353075     -5.991491      8.219512
  O      -3.437432     -6.759840      8.143675
  Cl     -5.606241     -6.137414      9.513163
  H      -1.208665     -3.542285     -0.748864
  H      -0.402668     -1.230380     -0.983561
  H      -0.944634      0.493620      0.734405
  H      -2.188968     -0.149038      2.781881
  H      -3.658870     -2.499430      5.268487
  H      -6.711683     -7.570207      5.782526
  H      -8.668357     -6.672864      6.946667
  H      -9.302201     -4.269049      6.705622
  H      -7.942330     -2.761262      5.330253
  H      -6.475318     -1.733523      4.653868
  H       0.380270     -4.714652      4.701224
  H       1.338650     -4.035599      6.827311
  H      -0.145926     -3.573733      8.798919
  H      -2.604491     -3.779251      8.534434
  H      -5.748237     -4.569439      7.290535
  N      -5.351878     -4.689874      1.634365
  H      -5.169945     -4.538984      0.643135
  H      -6.349927     -4.842124      1.799587
74
Coordinates from ORCA-job orca E -7298.876659699823
  N      -2.768965     -4.394022      1.372842
  C      -2.547545     -5.424506      0.362255
  C      -3.327031     -6.665296      0.748899
  N      -3.333625     -6.767122      2.230679
  C      -4.332113     -7.763461      2.696260
  C      -4.651451     -7.444287      4.138458
  N      -5.036419     -6.038934      4.178823
  Mo     -3.981828     -4.678962      3.040277
  N      -2.196531     -5.188879      4.157730
  C      -1.252451     -5.913918      3.314074
  C      -1.978273     -7.123214      2.753759
  H      -0.395137     -6.290009      3.886993
  H      -0.865934     -5.268511      2.509580
  H      -2.110440     -7.851089      3.563364
  H      -1.394320     -7.608375      1.958390
  H      -5.452501     -8.106940      4.486236
  H      -3.778952     -7.602826      4.795548
  H      -5.237273     -7.642622      2.087128
  H      -3.942928     -8.785406      2.562518
  H      -1.467683     -5.645323      0.286132
  H      -2.865847     -5.081287     -0.637393
  H      -2.886852     -7.573878      0.308523
  H      -4.371300     -6.597622      0.426327
  C      -2.143970     -3.193865      1.189458
  C      -1.394513     -2.824967      0.047771
  C      -0.947830     -1.517527     -0.083596
  C      -1.237874     -0.544237      0.891440
  C      -1.917779     -0.902283      2.042293
  C      -2.308082     -2.239577      2.228623
  N      -2.968817     -2.724950      3.348189
  C      -2.906190     -2.180247      4.546921
  C      -1.951063     -1.239458      5.144056
  O      -2.234501     -0.534848      6.078866
  Cl     -0.241977     -1.306150      4.562968
  C      -6.160220     -5.669950      4.856517
  C      -6.964353     -6.519564      5.655655
  C      -8.069684     -6.010144      6.320784
  C      -8.417760     -4.655365      6.199434
  C      -7.639107     -3.801786      5.429488
  C      -6.487185     -4.287114      4.782277
  N      -5.613038     -3.526866      4.001981
  C      -5.842450     -2.213663      3.908816
  C      -5.431235     -1.361180      2.816613
  O      -5.033361     -1.645979      1.714014
  Cl     -5.648514      0.384163      3.284352
  C      -1.692397     -4.735662      5.355219
  C      -0.287546     -4.578093      5.549022
  C       0.260410     -4.178590      6.750981
  C      -0.569004     -3.909682      7.852229
  C      -1.936512     -4.037213      7.711481
  C      -2.527202     -4.437477      6.490859
  N      -3.901752     -4.394862      6.400318
  C      -4.705038     -4.894264      7.271704
  C      -4.353143     -5.992503      8.219218
  O      -3.436953     -6.760219      8.143656
  Cl     -5.607347     -6.139862      9.511611
  H      -1.208270     -3.542914     -0.749019
  H      -0.402304     -1.230829     -0.983905
  H      -0.944474      0.493221      0.733849
  H      -2.188904     -0.149239      2.781376
  H      -3.661429     -2.497021      5.266843
  H      -6.712465     -7.570333      5.781904
  H      -8.669335     -6.672971      6.945422
  H      -9.302664     -4.269000      6.704979
  H      -7.942006     -2.760974      5.330286
  H      -6.474066     -1.733375      4.655326
  H       0.380522     -4.715326      4.701797
  H       1.338765     -4.036792      6.828034
  H      -0.145986     -3.574389      8.799389
  H      -2.604554     -3.779578      8.534514
  H      -5.748130     -4.569957      7.290579
  N      -5.351760     -4.689380      1.634375
  H      -5.170127     -4.537409      0.643322
  H      -6.349920     -4.841106      1.799464
74
Coordinates from ORCA-job orca E -7298.876660841352
  N      -2.769160     -4.394028      1.372672
  C      -2.548198     -5.424544      0.362073
  C      -3.327372     -6.665497      0.749169
  N      -3.333321     -6.767357      2.231050
  C      -4.331767     -7.763548      2.696969
  C      -4.651164     -7.444111      4.138984
  N      -5.037007     -6.038931      4.178701
  Mo     -3.982106     -4.679390      3.040202
  N      -2.196622     -5.189143      4.157571
  C      -1.252232     -5.913889      3.313875
  C      -1.977904     -7.123394      2.753703
  H      -0.394995     -6.289877      3.886951
  H      -0.865996     -5.268337      2.509429
  H      -2.109397     -7.851586      3.563141
  H      -1.394165     -7.608455      1.958081
  H      -5.451746     -8.107354      4.486809
  H      -3.778781     -7.601910      4.796402
  H      -5.237006     -7.642692      2.087946
  H      -3.942860     -8.785647      2.563540
  H      -1.468373     -5.645703      0.286280
  H      -2.867177     -5.081859     -0.637551
  H      -2.887607     -7.573920      0.308088
  H      -4.371991     -6.597688      0.427806
  C      -2.144012     -3.193971      1.189338
  C      -1.394538     -2.825015      0.047715
  C      -0.947588     -1.517608     -0.083202
  C      -1.237335     -0.544592      0.892189
  C      -1.917341     -0.902714      2.042968
  C      -2.308044     -2.239955      2.228802
  N      -2.968942     -2.725664      3.348119
  C      -2.905495     -2.181240      4.546992
  C      -1.949487     -1.241038      5.143469
  O      -2.231378     -0.536810      6.079003
  Cl     -0.240844     -1.308513      4.560663
  C      -6.160713     -5.669993      4.856497
  C      -6.965145     -6.519691      5.655178
  C      -8.070503     -6.010173      6.320229
  C      -8.418219     -4.655268      6.199206
  C      -7.639271     -3.801639      5.429587
  C      -6.487436     -4.287091      4.782362
  N      -5.613046     -3.527041      4.002121
  C      -5.841897     -2.213622      3.909678
  C      -5.430801     -1.360887      2.817627
  O      -5.032755     -1.645551      1.715039
  Cl     -5.648328      0.384282      3.285626
  C      -1.692688     -4.735296      5.354864
  C      -0.287915     -4.576578      5.548761
  C       0.259676     -4.176248      6.750565
  C      -0.569972     -3.907429      7.851723
  C      -1.937358     -4.035850      7.710817
  C      -2.527656     -4.437085      6.490292
  N      -3.902279     -4.395387      6.399701
  C      -4.705163     -4.895333      7.271158
  C      -4.352641     -5.993552      8.218529
  O      -3.435676     -6.760355      8.143156
  Cl     -5.607286     -6.142279      9.510269
  H      -1.208513     -3.542892     -0.749195
  H      -0.401939     -1.230697     -0.983372
  H      -0.943599      0.492822      0.734908
  H      -2.188155     -0.149810      2.782328
  H      -3.660394     -2.497976      5.267285
  H      -6.713593     -7.570562      5.781196
  H      -8.670514     -6.673062      6.944457
  H      -9.303111     -4.268843      6.704728
  H      -7.941873     -2.760716      5.330575
  H      -6.472751     -1.733452      4.656913
  H       0.380344     -4.713388      4.701625
  H       1.337939     -4.033744      6.827672
  H      -0.147204     -3.571461      8.798751
  H      -2.605677     -3.778202      8.533621
  H      -5.748509     -4.571831      7.289848
  N      -5.351698     -4.689233      1.634207
  H      -5.170255     -4.536381      0.643462
  H      -6.349974     -4.840368      1.799217
