146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.751282970262
  N      -3.537646     -3.370520      2.187144
  C      -4.070455     -4.113051      1.073984
  C      -3.581458     -5.557639      1.170992
  N      -3.852185     -6.071169      2.513239
  C      -5.115326     -6.798249      2.575371
  C      -5.702052     -6.626536      3.983076
  N      -5.849049     -5.217388      4.258857
  Mo     -4.027274     -4.376693      3.893877
  N      -2.268489     -5.125330      4.599320
  C      -1.685136     -5.956788      3.569268
  C      -2.743857     -6.895244      2.985536
  H      -0.839625     -6.555604      3.923026
  H      -1.311008     -5.312643      2.758928
  H      -3.105408     -7.549530      3.780996
  H      -2.337600     -7.521260      2.176553
  H      -6.640107     -7.190003      4.037224
  H      -5.016354     -7.085162      4.714921
  H      -5.815258     -6.347699      1.867365
  H      -4.981400     -7.858973      2.312357
  H      -3.768999     -3.723332      0.095926
  H      -5.179046     -4.103253      1.074465
  H      -2.501696     -5.545849      1.010852
  H      -4.041601     -6.191451      0.400256
  C      -3.683590      4.359358      0.425741
  C      -3.962310      2.863243      0.507353
  C      -5.126089      2.549718      1.443453
  C      -5.390460      1.046898      1.548450
  N      -4.226099      0.282182      1.965205
  C      -3.887248      0.481818      3.356222
  C      -2.508464     -0.102268      3.637399
  C      -2.332995     -1.550378      3.169516
  C      -3.129632     -1.993991      1.926083
  C      -2.245991     -1.878399      0.648099
  C      -1.078471     -2.889668      0.617522
  C       0.174525     -2.093747      0.231261
  C      -0.377405     -0.848041     -0.457633
  C      -1.593104     -0.512722      0.401422
  C      -4.406126     -1.134341      1.730310
  C     -10.143268      0.912849      5.712054
  C     -10.046065      0.788534      4.195114
  C      -9.857300     -0.651294      3.710530
  C      -8.451407     -1.185751      3.985048
  N      -8.348818     -2.614841      3.757505
  C      -8.533153     -2.969267      2.359327
  C      -8.082185     -4.409608      2.117629
  C      -8.232035     -5.203599      3.407435
  C      -7.192766     -4.716317      4.455374
  C      -7.784286     -4.994703      5.879060
  C      -6.788621     -4.746122      7.025542
  C      -7.163966     -5.720707      8.157183
  C      -8.450699     -6.403104      7.688034
  C      -8.303088     -6.407657      6.169910
  C      -7.122315     -3.176980      4.284773
  C      -2.421957     -1.335335     11.038255
  C      -3.169711     -2.621463     11.374242
  C      -2.674169     -3.837404     10.587222
  C      -3.109939     -3.807429      9.121087
  N      -2.399114     -4.786681      8.314558
  C      -2.822705     -6.146078      8.578507
  C      -1.918285     -7.110521      7.825584
  C      -2.017565     -6.844165      6.331447
  C      -1.726916     -5.372993      5.931243
  C      -0.193688     -5.063414      5.965980
  C       0.169155     -3.852505      5.085836
  C       1.359857     -3.193545      5.773253
  C       1.014673     -3.337835      7.249848
  C       0.420106     -4.745623      7.350832
  C      -2.505537     -4.471105      6.898567
  H      -2.853213      4.556064     -0.248640
  H      -3.429679      4.755275      1.406993
  H      -4.558167      4.892920      0.058001
  H      -3.076844      2.339119      0.867949
  H      -4.192495      2.480455     -0.489520
  H      -4.920713      2.969369      2.429913
  H      -6.037676      3.024896      1.072217
  H      -6.247270      0.874625      2.229568
  H      -5.679856      0.681176      0.558802
  H      -4.658391      0.024830      4.014694
  H      -3.866349      1.551053      3.573170
  H      -2.302483     -0.037941      4.709132
  H      -1.784716      0.542178      3.136432
  H      -2.637000     -2.263871      3.942804
  H      -1.273209     -1.725245      2.984519
  H      -2.887419     -2.062081     -0.220320
  H      -1.274157     -3.665448     -0.124849
  H      -0.969206     -3.381418      1.584360
  H       0.728249     -1.800498      1.125042
  H       0.845271     -2.666284     -0.409389
  H       0.345769     -0.033626     -0.499169
  H      -0.686315     -1.088298     -1.477227
  H      -1.250553     -0.068935      1.330325
  H      -2.281394      0.180662     -0.076624
  H      -5.182546     -1.545633      2.411045
  H      -4.765147     -1.275385      0.706677
  H     -10.958533      0.299975      6.090330
  H      -9.222627      0.594902      6.194808
  H     -10.331672      1.946964      5.992398
  H     -10.965463      1.181600      3.755148
  H      -9.218616      1.402019      3.829511
  H     -10.051641     -0.685063      2.637134
  H     -10.578237     -1.304780      4.204943
  H      -7.721727     -0.624520      3.366880
  H      -8.207081     -1.007588      5.035175
  H      -9.597682     -2.871403      2.128322
  H      -7.974699     -2.281300      1.696213
  H      -8.672742     -4.853987      1.313887
  H      -7.032844     -4.425072      1.813973
  H      -8.131497     -6.268866      3.207180
  H      -9.232316     -5.029521      3.805707
  H      -8.632597     -4.308391      5.985278
  H      -5.777177     -4.946456      6.656585
  H      -6.832824     -3.712450      7.373481
  H      -7.300403     -5.208234      9.109574
  H      -6.378851     -6.466820      8.290861
  H      -9.320321     -5.807833      7.972944
  H      -8.567515     -7.403508      8.104159
  H      -9.238352     -6.628740      5.657920
  H      -7.562072     -7.155162      5.890087
  H      -6.952102     -2.717499      5.258358
  H      -6.245045     -2.970669      3.637280
  H      -2.571728     -1.049143     10.000307
  H      -2.774882     -0.520826     11.667295
  H      -1.355039     -1.463165     11.207630
  H      -4.238121     -2.484312     11.189176
  H      -3.044259     -2.826190     12.439981
  H      -1.584195     -3.878993     10.622557
  H      -3.060440     -4.738929     11.065523
  H      -2.872789     -2.822971      8.712075
  H      -4.204759     -3.946802      9.053656
  H      -3.873548     -6.302272      8.265869
  H      -2.753931     -6.334619      9.651146
  H      -0.891376     -6.986354      8.166332
  H      -2.225802     -8.138132      8.035977
  H      -3.046470     -7.051196      6.017048
  H      -1.355827     -7.525835      5.794015
  H       0.320642     -5.943940      5.567769
  H      -0.675564     -3.163877      5.051003
  H       0.396971     -4.146936      4.062750
  H       2.275681     -3.744410      5.548535
  H       1.497218     -2.156626      5.466251
  H       0.266041     -2.593509      7.525911
  H       1.879051     -3.208762      7.901201
  H       1.213609     -5.462839      7.569712
  H      -0.322522     -4.797294      8.140514
  H      -3.556478     -4.530665      6.558209
  H      -2.140554     -3.450515      6.766321
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.770035339749
  N      -3.510089     -3.458738      2.147488
  C      -4.001154     -4.189530      0.988785
  C      -3.504930     -5.629731      1.077634
  N      -3.813589     -6.170006      2.423043
  C      -5.101314     -6.892604      2.450510
  C      -5.701797     -6.744677      3.851593
  N      -5.833295     -5.327487      4.171799
  Mo     -4.010274     -4.497208      3.822610
  N      -2.275208     -5.237775      4.566718
  C      -1.658173     -6.087501      3.551183
  C      -2.709168     -7.013049      2.934172
  H      -0.829732     -6.697941      3.939675
  H      -1.235894     -5.457439      2.747425
  H      -3.102795     -7.670774      3.717655
  H      -2.288431     -7.641487      2.128778
  H      -6.649860     -7.300576      3.884162
  H      -5.031497     -7.237840      4.579412
  H      -5.786248     -6.416348      1.738236
  H      -4.968341     -7.950474      2.160450
  H      -3.661030     -3.777180      0.024615
  H      -5.109362     -4.185321      0.933434
  H      -2.416474     -5.614200      0.947398
  H      -3.940754     -6.263831      0.287769
  C      -3.754106      4.366512      0.478088
  C      -3.989144      2.856426      0.535622
  C      -5.171599      2.483595      1.432366
  C      -5.411025      0.971310      1.512976
  N      -4.249352      0.212274      1.964978
  C      -3.959684      0.399973      3.376527
  C      -2.583669     -0.170342      3.704113
  C      -2.379453     -1.612204      3.224632
  C      -3.113980     -2.054391      1.932919
  C      -2.183028     -1.912802      0.684307
  C      -0.982704     -2.898833      0.685226
  C       0.264640     -2.069477      0.319398
  C      -0.303716     -0.836674     -0.389844
  C      -1.552297     -0.527090      0.440958
  C      -4.397966     -1.209973      1.702118
  C      -9.816171      0.865865      6.211789
  C      -9.758019      0.863773      4.682478
  C      -9.649897     -0.539153      4.070440
  C      -8.267305     -1.165906      4.271374
  N      -8.223434     -2.578566      3.918246
  C      -8.443981     -2.812431      2.489903
  C      -8.055938     -4.251106      2.119221
  C      -8.220725     -5.153155      3.340265
  C      -7.162311     -4.785452      4.418613
  C      -7.758920     -5.141276      5.825214
  C      -6.768084     -4.994004      7.002656
  C      -7.192411     -6.033010      8.069498
  C      -8.496093     -6.649036      7.537091
  C      -8.330266     -6.556586      6.018600
  C      -7.013390     -3.235961      4.381477
  C      -2.651683     -0.939441     10.623198
  C      -3.440023     -2.180427     11.049671
  C      -2.921521     -3.475590     10.412504
  C      -3.283071     -3.581201      8.927867
  N      -2.546228     -4.631783      8.233150
  C      -2.968917     -5.977901      8.592727
  C      -2.033498     -6.999842      7.951201
  C      -2.079524     -6.851749      6.432704
  C      -1.769005     -5.413506      5.933411
  C      -0.226977     -5.097079      5.963822
  C       0.123144     -3.913484      5.032993
  C       1.324111     -3.218769      5.677235
  C       1.008972     -3.316622      7.170468
  C       0.426207     -4.730716      7.331388
  C      -2.586479     -4.425424      6.789097
  H      -2.905774      4.605572     -0.174381
  H      -3.539129      4.763510      1.478116
  H      -4.640571      4.884612      0.090440
  H      -3.091430      2.351899      0.913895
  H      -4.173291      2.472585     -0.478794
  H      -5.008074      2.896913      2.437817
  H      -6.090845      2.948261      1.046392
  H      -6.292877      0.776358      2.162722
  H      -5.664418      0.607635      0.506191
  H      -4.749324     -0.079668      4.003549
  H      -3.964864      1.471626      3.612153
  H      -2.417582     -0.118442      4.790176
  H      -1.841868      0.490997      3.237845
  H      -2.723491     -2.326229      3.992880
  H      -1.304247     -1.797895      3.104962
  H      -2.796081     -2.119449     -0.205761
  H      -1.143350     -3.687950     -0.061162
  H      -0.882394     -3.391379      1.659590
  H       0.793408     -1.751278      1.228063
  H       0.974537     -2.630648     -0.301020
  H       0.403949      0.001584     -0.423788
  H      -0.585145     -1.090734     -1.422304
  H      -1.241827     -0.065140      1.383320
  H      -2.248138      0.157162     -0.054584
  H      -5.194097     -1.645092      2.348939
  H      -4.720076     -1.343627      0.658792
  H     -10.660510      0.260631      6.564302
  H      -8.897396      0.458710      6.649614
  H      -9.944343      1.887044      6.589857
  H     -10.668646      1.342299      4.295664
  H      -8.906446      1.472882      4.343522
  H      -9.867185     -0.472259      2.995828
  H     -10.402305     -1.201512      4.522607
  H      -7.520129     -0.582379      3.690412
  H      -7.991513     -1.088605      5.332222
  H      -9.510598     -2.648929      2.279713
  H      -7.864702     -2.090382      1.873758
  H      -8.673965     -4.602152      1.282976
  H      -7.007834     -4.284502      1.792310
  H      -8.154567     -6.208107      3.052835
  H      -9.218588     -4.991506      3.765785
  H      -8.594418     -4.436607      5.969309
  H      -5.753088     -5.196960      6.635012
  H      -6.781231     -3.976964      7.414304
  H      -7.326059     -5.580140      9.059535
  H      -6.428726     -6.815341      8.167470
  H      -9.358036     -6.043533      7.851414
  H      -8.654709     -7.676002      7.890008
  H      -9.271841     -6.715887      5.479584
  H      -7.607003     -7.315255      5.692876
  H      -6.804331     -2.866939      5.392814
  H      -6.129354     -3.003652      3.740671
  H      -2.734760     -0.758724      9.544604
  H      -3.025132     -0.049492     11.143574
  H      -1.588989     -1.058344     10.868130
  H      -4.502592     -2.051493     10.794390
  H      -3.379450     -2.278348     12.142614
  H      -1.827436     -3.522082     10.508275
  H      -3.340518     -4.330996     10.959300
  H      -3.020158     -2.633934      8.437700
  H      -4.381169     -3.715240      8.818505
  H      -4.012567     -6.169366      8.256846
  H      -2.942625     -6.078400      9.684764
  H      -1.013355     -6.847059      8.324010
  H      -2.348617     -8.014286      8.233407
  H      -3.103380     -7.082602      6.099993
  H      -1.400729     -7.576859      5.963275
  H       0.283802     -5.993062      5.581007
  H      -0.730655     -3.226363      4.985116
  H       0.329090     -4.246152      4.009958
  H       2.247590     -3.772940      5.453435
  H       1.450808     -2.185602      5.327576
  H       0.251378     -2.564568      7.440043
  H       1.886880     -3.151498      7.807776
  H       1.235887     -5.439827      7.552062
  H      -0.292801     -4.768556      8.150957
  H      -3.632228     -4.498087      6.404904
  H      -2.215295     -3.410226      6.587819
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.778269643346
  N      -3.500554     -3.552989      2.086254
  C      -3.943750     -4.278760      0.892231
  C      -3.443121     -5.714105      0.988149
  N      -3.795897     -6.262242      2.334493
  C      -5.111002     -6.964104      2.330221
  C      -5.723503     -6.834133      3.724124
  N      -5.814145     -5.414807      4.088760
  Mo     -3.995885     -4.605200      3.736406
  N      -2.293496     -5.345946      4.510991
  C      -1.658555     -6.235474      3.529534
  C      -2.714647     -7.132840      2.886743
  H      -0.866066     -6.867973      3.963859
  H      -1.172474     -5.638142      2.733550
  H      -3.153970     -7.778390      3.658988
  H      -2.292455     -7.773782      2.089424
  H      -6.691048     -7.363370      3.732540
  H      -5.080959     -7.369883      4.448600
  H      -5.770120     -6.455524      1.612472
  H      -4.986987     -8.017339      2.015052
  H      -3.563754     -3.854511     -0.055695
  H      -5.048405     -4.277380      0.782948
  H      -2.348375     -5.704412      0.894990
  H      -3.854608     -6.356110      0.189455
  C      -3.916865      4.331161      0.550342
  C      -4.097707      2.811579      0.577407
  C      -5.284334      2.372053      1.438666
  C      -5.484188      0.853338      1.485916
  N      -4.314642      0.114055      1.956516
  C      -4.063777      0.288314      3.381448
  C      -2.687069     -0.262088      3.740708
  C      -2.460417     -1.696386      3.250736
  C      -3.127127     -2.125905      1.919383
  C      -2.144929     -1.944218      0.719163
  C      -0.915530     -2.900356      0.761753
  C       0.323887     -2.034650      0.441859
  C      -0.252297     -0.808966     -0.280189
  C      -1.539673     -0.537724      0.508103
  C      -4.423154     -1.309497      1.665605
  C      -9.392101      0.867445      6.619213
  C      -9.350041      0.951052      5.089749
  C      -9.329465     -0.415777      4.390118
  C      -7.989337     -1.138913      4.543721
  N      -8.026502     -2.525684      4.088596
  C      -8.272805     -2.639862      2.644661
  C      -7.971354     -4.067734      2.160635
  C      -8.177956     -5.061655      3.303502
  C      -7.108365     -4.825930      4.402857
  C      -7.687249     -5.261778      5.790915
  C      -6.668497     -5.232740      6.956441
  C      -7.113180     -6.329434      7.960187
  C      -8.453867     -6.859936      7.412365
  C      -8.315819     -6.665061      5.898217
  C      -6.853353     -3.288400      4.486730
  C      -2.902852     -0.606985     10.250339
  C      -3.693139     -1.832531     10.722779
  C      -3.137375     -3.162993     10.192934
  C      -3.429167     -3.370604      8.703897
  N      -2.675477     -4.471270      8.107194
  C      -3.120335     -5.789411      8.552811
  C      -2.178175     -6.867120      8.019253
  C      -2.170033     -6.827812      6.490689
  C      -1.831185     -5.432295      5.906171
  C      -0.294056     -5.111576      5.977383
  C       0.092671     -3.965252      5.008649
  C       1.259990     -3.228969      5.671539
  C       0.883995     -3.268628      7.156548
  C       0.305545     -4.682745      7.356872
  C      -2.669233     -4.369073      6.650125
  H      -3.062716      4.620014     -0.080561
  H      -3.737364      4.721980      1.564468
  H      -4.815796      4.829173      0.153155
  H      -3.185630      2.330554      0.962761
  H      -4.240332      2.434713     -0.450525
  H      -5.158339      2.771009      2.459847
  H      -6.214238      2.820084      1.048283
  H      -6.382184      0.620702      2.106974
  H      -5.701908      0.497667      0.464847
  H      -4.858242     -0.219552      3.982332
  H      -4.101385      1.358160      3.634630
  H      -2.547806     -0.223045      4.834284
  H      -1.937492      0.414071      3.300131
  H      -2.849792     -2.408605      4.007819
  H      -1.379778     -1.900120      3.196194
  H      -2.716433     -2.161305     -0.198338
  H      -1.029596     -3.694892      0.007825
  H      -0.836681     -3.399147      1.738467
  H       0.811919     -1.703723      1.373127
  H       1.077785     -2.573676     -0.151252
  H       0.435488      0.050590     -0.289287
  H      -0.492394     -1.063108     -1.327072
  H      -1.274784     -0.075390      1.470434
  H      -2.235196      0.142540     -0.000507
  H      -5.226139     -1.774317      2.284307
  H      -4.716446     -1.433985      0.609763
  H     -10.270659      0.292586      6.951839
  H      -8.494076      0.379091      7.026347
  H      -9.454175      1.871713      7.064485
  H     -10.233859      1.509469      4.740919
  H      -8.467820      1.534421      4.772762
  H      -9.548349     -0.270686      3.320126
  H     -10.125812     -1.058816      4.803368
  H      -7.205510     -0.557146      4.004200
  H      -7.705587     -1.153808      5.608058
  H      -9.330234     -2.395002      2.455488
  H      -7.656050     -1.905706      2.078181
  H      -8.609650     -4.314418      1.299253
  H      -6.926403     -4.135801      1.817745
  H      -8.150863     -6.096950      2.933702
  H      -9.174259     -4.904752      3.743473
  H      -8.494328     -4.535713      6.000669
  H      -5.666721     -5.444968      6.554713
  H      -6.626527     -4.243461      7.435030
  H      -7.206329     -5.945534      8.986600
  H      -6.372379     -7.145394      7.987282
  H      -9.288178     -6.243499      7.787367
  H      -8.652387     -7.903560      7.700694
  H      -9.273616     -6.750995      5.364676
  H      -7.629946     -7.430258      5.501477
  H      -6.601445     -3.010890      5.520270
  H      -5.957947     -3.051931      3.853343
  H      -2.941423     -0.492079      9.156549
  H      -3.304996      0.315176     10.696090
  H      -1.844801     -0.692882     10.543777
  H      -4.749789     -1.733783     10.418619
  H      -3.684672     -1.858040     11.824380
  H      -2.044672     -3.194820     10.341306
  H      -3.569244     -3.991083     10.777331
  H      -3.140928     -2.459165      8.156549
  H      -4.526225     -3.499696      8.554281
  H      -4.159806     -5.998910      8.200288
  H      -3.133476     -5.805275      9.652311
  H      -1.167372     -6.702029      8.421081
  H      -2.517964     -7.856704      8.364622
  H      -3.186556     -7.077027      6.139023
  H      -1.481477     -7.587590      6.085974
  H       0.227182     -6.027740      5.654427
  H      -0.763133     -3.284486      4.896267
  H       0.336058     -4.338177      4.004303
  H       2.202667     -3.779924      5.509200
  H       1.390571     -2.207109      5.280949
  H       0.105340     -2.512947      7.361390
  H       1.730450     -3.059332      7.827986
  H       1.111538     -5.378231      7.640292
  H      -0.446570     -4.693892      8.153437
  H      -3.710144     -4.456962      6.233617
  H      -2.291121     -3.369223      6.380901
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.783026758512
  N      -3.489421     -3.598104      2.082088
  C      -3.872643     -4.304790      0.851629
  C      -3.374632     -5.739333      0.951206
  N      -3.783451     -6.303859      2.280596
  C      -5.115979     -6.982903      2.221509
  C      -5.765200     -6.886099      3.597945
  N      -5.822368     -5.477114      4.012135
  Mo     -4.000795     -4.677819      3.695721
  N      -2.334855     -5.435251      4.498091
  C      -1.681346     -6.349126      3.551116
  C      -2.735791     -7.207060      2.860441
  H      -0.937012     -7.009393      4.030290
  H      -1.124818     -5.774648      2.783639
  H      -3.224849     -7.849732      3.604777
  H      -2.306085     -7.846087      2.065165
  H      -6.750723     -7.382166      3.554884
  H      -5.168480     -7.469871      4.324747
  H      -5.737754     -6.438842      1.495694
  H      -4.994133     -8.026725      1.875959
  H      -3.444162     -3.864191     -0.068924
  H      -4.970578     -4.300568      0.685999
  H      -2.276430     -5.737264      0.907562
  H      -3.754380     -6.379182      0.135089
  C      -3.982323      4.329741      0.675247
  C      -4.136279      2.808418      0.681709
  C      -5.313802      2.333338      1.534136
  C      -5.495855      0.814103      1.553871
  N      -4.319478      0.079901      2.016631
  C      -4.080176      0.237785      3.447398
  C      -2.711295     -0.322530      3.814537
  C      -2.502268     -1.755884      3.318819
  C      -3.124078     -2.156174      1.961133
  C      -2.110092     -1.951389      0.796422
  C      -0.873749     -2.899354      0.859824
  C       0.364456     -2.022937      0.564356
  C      -0.207701     -0.795957     -0.159603
  C      -1.509793     -0.538731      0.608350
  C      -4.416680     -1.341565      1.701529
  C      -9.218501      0.808382      6.799965
  C      -9.218747      0.922137      5.272744
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  C      -7.911317     -1.180243      4.658095
  N      -7.974686     -2.550353      4.157516
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  C      -7.958633     -4.018214      2.166414
  C      -8.169996     -5.057135      3.264912
  C      -7.103780     -4.875958      4.373309
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  C      -6.665641     -5.320220      6.914278
  C      -7.088443     -6.440607      7.900220
  C      -8.419120     -6.989366      7.342150
  C      -8.287660     -6.765579      5.831138
  C      -6.814145     -3.349386      4.519265
  C      -2.914766     -0.347451      9.938413
  C      -3.752356     -1.519533     10.459869
  C      -3.224329     -2.893799     10.024546
  C      -3.477441     -3.175198      8.542416
  N      -2.746591     -4.329600      8.024258
  C      -3.232985     -5.610771      8.539752
  C      -2.312071     -6.741768      8.088642
  C      -2.267366     -6.789043      6.560232
  C      -1.887267     -5.441253      5.902293
  C      -0.343820     -5.156168      5.953824
  C       0.062100     -4.055037      4.940695
  C       1.243680     -3.311485      5.568701
  C       0.880919     -3.297367      7.057566
  C       0.286962     -4.696020      7.311573
  C      -2.701117     -4.305602      6.564945
  H      -3.133749      4.646654      0.049655
  H      -3.810382      4.712277      1.694629
  H      -4.889288      4.820473      0.285442
  H      -3.214041      2.336577      1.056738
  H      -4.268368      2.440575     -0.351844
  H      -5.195195      2.716382      2.563378
  H      -6.251625      2.777842      1.156518
  H      -6.395173      0.558745      2.165128
  H      -5.705211      0.470734      0.526247
  H      -4.878274     -0.276688      4.035885
  H      -4.121504      1.304699      3.713061
  H      -2.578827     -0.294854      4.909563
  H      -1.949488      0.348260      3.385365
  H      -2.945570     -2.457274      4.060506
  H      -1.428664     -2.000445      3.314867
  H      -2.656913     -2.165872     -0.137493
  H      -0.969764     -3.694670      0.103431
  H      -0.807838     -3.402823      1.835544
  H       0.832655     -1.691131      1.506420
  H       1.136542     -2.552745     -0.013873
  H       0.474563      0.068444     -0.156426
  H      -0.430052     -1.044964     -1.212384
  H      -1.263902     -0.084306      1.580511
  H      -2.200277      0.147617      0.099999
  H      -5.224464     -1.817668      2.302043
  H      -4.697736     -1.450331      0.640121
  H     -10.098081      0.243435      7.148852
  H      -8.320087      0.293377      7.173973
  H      -9.247440      1.802724      7.271294
  H     -10.100634      1.504488      4.958350
  H      -8.337946      1.501273      4.941592
  H      -9.475914     -0.256616      3.481402
  H     -10.042389     -1.063945      4.955531
  H      -7.124338     -0.592804      4.128629
  H      -7.610258     -1.235689      5.716794
  H      -9.295238     -2.342616      2.542274
  H      -7.623000     -1.859619      2.167173
  H      -8.601557     -4.218209      1.295878
  H      -6.915297     -4.086584      1.815113
  H      -8.137590     -6.078560      2.856750
  H      -9.171175     -4.927379      3.706611
  H      -8.499091     -4.642855      5.965852
  H      -5.658809     -5.501601      6.512371
  H      -6.640459     -4.336712      7.405855
  H      -7.186928     -6.077853      8.934019
  H      -6.326316     -7.237824      7.915107
  H      -9.265292     -6.394830      7.727633
  H      -8.601050     -8.040107      7.615932
  H      -9.242640     -6.857913      5.292990
  H      -7.593393     -7.515570      5.419630
  H      -6.544651     -3.118657      5.559787
  H      -5.912938     -3.096614      3.894832
  H      -2.912568     -0.299921      8.838226
  H      -3.302386      0.613917     10.308898
  H      -1.868197     -0.439535     10.271103
  H      -4.798733     -1.408581     10.123203
  H      -3.777804     -1.479183     11.561126
  H      -2.137411     -2.950882     10.210272
  H      -3.696242     -3.675908     10.641255
  H      -3.146906     -2.305143      7.951818
  H      -4.574533     -3.273845      8.366666
  H      -4.272736     -5.817202      8.188245
  H      -3.263648     -5.557708      9.637914
  H      -1.307060     -6.586199      8.509021
  H      -2.689432     -7.699895      8.481486
  H      -3.279973     -7.040826      6.197446
  H      -1.586212     -7.582463      6.209453
  H       0.146711     -6.098425      5.656198
  H      -0.781376     -3.362592      4.806151
  H       0.288626     -4.469415      3.948030
  H       2.180582     -3.876195      5.417270
  H       1.381603     -2.304455      5.142585
  H       0.111699     -2.525808      7.243606
  H       1.732861     -3.071358      7.717046
  H       1.086717     -5.396231      7.603074
  H      -0.449169     -4.670619      8.122090
  H      -3.737906     -4.369847      6.123711
  H      -2.283519     -3.334847      6.251999
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.786888167961
  N      -3.470711     -3.626913      2.068855
  C      -3.799374     -4.325167      0.817195
  C      -3.306677     -5.760295      0.933098
  N      -3.769985     -6.327813      2.244328
  C      -5.113870     -6.981422      2.133022
  C      -5.806152     -6.902856      3.487277
  N      -5.831090     -5.503730      3.932280
  Mo     -4.000989     -4.720320      3.657104
  N      -2.375190     -5.504050      4.492030
  C      -1.711342     -6.450948      3.589041
  C      -2.765208     -7.263872      2.851270
  H      -1.030047     -7.141995      4.116030
  H      -1.079088     -5.912306      2.854232
  H      -3.305215     -7.895786      3.568469
  H      -2.329067     -7.906625      2.062957
  H      -6.806634     -7.360284      3.392662
  H      -5.262855     -7.528658      4.221433
  H      -5.696593     -6.411527      1.394907
  H      -4.993874     -8.019269      1.770126
  H      -3.329006     -3.881003     -0.079448
  H      -4.889514     -4.317913      0.605422
  H      -2.207987     -5.765277      0.938431
  H      -3.654459     -6.401972      0.104443
  C      -4.078532      4.322985      0.726248
  C      -4.200782      2.800673      0.727382
  C      -5.351356      2.296656      1.597195
  C      -5.507208      0.776177      1.604695
  N      -4.312784      0.056633      2.043696
  C      -4.064979      0.212221      3.473666
  C      -2.700801     -0.356862      3.836376
  C      -2.519328     -1.794424      3.347501
  C      -3.108366     -2.175045      1.974773
  C      -2.073885     -1.956417      0.834158
  C      -0.848961     -2.918340      0.896563
  C       0.400537     -2.052745      0.626758
  C      -0.149949     -0.807916     -0.081973
  C      -1.455129     -0.548494      0.677540
  C      -4.400265     -1.364709      1.717577
  C      -9.063683      0.725341      7.010977
  C      -9.128702      0.885171      5.490954
  C      -9.188462     -0.441589      4.723973
  C      -7.868146     -1.209589      4.773980
  N      -7.950901     -2.558091      4.223474
  C      -8.237730     -2.555859      2.780110
  C      -7.965103     -3.937078      2.169419
  C      -8.173244     -5.022699      3.218792
  C      -7.105854     -4.897714      4.332745
  C      -7.672007     -5.420874      5.685404
  C      -6.665351     -5.378580      6.853519
  C      -7.043582     -6.532944      7.814220
  C      -8.354633     -7.116554      7.245812
  C      -8.237170     -6.854154      5.740281
  C      -6.797471     -3.383833      4.541641
  C      -2.938222     -0.137439      9.659430
  C      -3.790790     -1.271878     10.232552
  C      -3.273148     -2.671388      9.876654
  C      -3.502968     -3.021153      8.406632
  N      -2.794474     -4.215551      7.956074
  C      -3.314472     -5.460023      8.531077
  C      -2.422800     -6.633086      8.139134
  C      -2.358957     -6.745944      6.615317
  C      -1.937784     -5.441701      5.901056
  C      -0.389776     -5.193494      5.964820
  C       0.065950     -4.122934      4.940281
  C       1.241870     -3.384139      5.582976
  C       0.848481     -3.342561      7.062484
  C       0.231283     -4.727726      7.324623
  C      -2.725358     -4.254910      6.500190
  H      -3.248999      4.663148      0.088519
  H      -3.896654      4.705427      1.743464
  H      -5.001107      4.798635      0.356221
  H      -3.261772      2.345011      1.079598
  H      -4.342353      2.434064     -0.305107
  H      -5.222123      2.673001      2.627271
  H      -6.303983      2.728997      1.243799
  H      -6.392699      0.497820      2.226263
  H      -5.726470      0.436979      0.577981
  H      -4.860118     -0.299791      4.065912
  H      -4.103302      1.278643      3.739241
  H      -2.562004     -0.329784      4.930084
  H      -1.931781      0.302065      3.403536
  H      -3.012424     -2.474747      4.078431
  H      -1.457006     -2.078180      3.381781
  H      -2.608556     -2.147039     -0.111957
  H      -0.947632     -3.702976      0.130043
  H      -0.797423     -3.437243      1.863983
  H       0.860997     -1.742146      1.579831
  H       1.174221     -2.581675      0.051039
  H       0.542181      0.047608     -0.061743
  H      -0.366270     -1.036988     -1.140222
  H      -1.211569     -0.116262      1.659475
  H      -2.132162      0.158463      0.180291
  H      -5.204734     -1.848411      2.314581
  H      -4.681531     -1.466010      0.655701
  H      -9.932153      0.158247      7.382099
  H      -8.156893      0.189875      7.330986
  H      -9.061073      1.703016      7.515559
  H     -10.016219      1.484875      5.230789
  H      -8.259108      1.468924      5.139664
  H      -9.460264     -0.236087      3.676317
  H      -9.988155     -1.078990      5.141028
  H      -7.091375     -0.607472      4.245816
  H      -7.535321     -1.308033      5.819607
  H      -9.294514     -2.279542      2.638763
  H      -7.630558     -1.783044      2.261221
  H      -8.611610     -4.091617      1.292724
  H      -6.922834     -3.993781      1.811936
  H      -8.134374     -6.024829      2.768422
  H      -9.177452     -4.922844      3.662578
  H      -8.516005     -4.743033      5.916899
  H      -5.652820     -5.510488      6.447547
  H      -6.674809     -4.405629      7.365144
  H      -7.151617     -6.198659      8.856066
  H      -6.247275     -7.295007      7.810900
  H      -9.219195     -6.560893      7.646914
  H      -8.500523     -8.177580      7.497865
  H      -9.187598     -6.965805      5.198481
  H      -7.521824     -7.572239      5.309386
  H      -6.513828     -3.200783      5.586746
  H      -5.894544     -3.109773      3.927082
  H      -2.920595     -0.148849      8.558878
  H      -3.320472      0.846364      9.969962
  H      -1.896576     -0.217412     10.008727
  H      -4.832872     -1.168569      9.881118
  H      -3.829625     -1.172756     11.329304
  H      -2.191114     -2.733107     10.086844
  H      -3.764336     -3.416395     10.522609
  H      -3.143375     -2.189846      7.778825
  H      -4.598842     -3.100223      8.214005
  H      -4.357551     -5.660345      8.192926
  H      -3.343531     -5.350534      9.624514
  H      -1.420413     -6.492440      8.569881
  H      -2.834231     -7.561630      8.566459
  H      -3.370653     -6.990744      6.246425
  H      -1.693596     -7.568427      6.305109
  H       0.076298     -6.155461      5.693191
  H      -0.758337     -3.417636      4.766832
  H       0.310781     -4.561277      3.963011
  H       2.176419     -3.958449      5.460584
  H       1.398906     -2.385462      5.145639
  H       0.085460     -2.559487      7.220714
  H       1.687107     -3.115007      7.737482
  H       1.015338     -5.436947      7.634318
  H      -0.512350     -4.681124      8.126433
  H      -3.759256     -4.299462      6.041122
  H      -2.274921     -3.311533      6.156326
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.789614961056
  N      -3.457945     -3.642955      2.077586
  C      -3.723271     -4.330743      0.806586
  C      -3.237900     -5.767636      0.937911
  N      -3.761946     -6.342314      2.220386
  C      -5.110464     -6.968390      2.045233
  C      -5.855806     -6.912322      3.371981
  N      -5.853776     -5.527821      3.854681
  Mo     -4.012977     -4.757281      3.636597
  N      -2.427034     -5.575815      4.499170
  C      -1.753396     -6.547282      3.635081
  C      -2.801662     -7.312430      2.843291
  H      -1.139799     -7.270721      4.199815
  H      -1.052158     -6.042080      2.939647
  H      -3.385423     -7.941175      3.527548
  H      -2.354928     -7.951482      2.058671
  H      -6.865566     -7.327746      3.215410
  H      -5.371983     -7.584072      4.107459
  H      -5.652094     -6.371685      1.297816
  H      -4.991375     -7.998885      1.662192
  H      -3.207240     -3.883032     -0.060387
  H      -4.802306     -4.319995      0.544003
  H      -2.141347     -5.774648      1.000993
  H      -3.544196     -6.405785      0.090437
  C      -4.130145      4.324888      0.802010
  C      -4.229236      2.802249      0.790126
  C      -5.370344      2.274316      1.656860
  C      -5.504601      0.752532      1.645383
  N      -4.302279      0.042736      2.080332
  C      -4.071813      0.189121      3.514315
  C      -2.718397     -0.391482      3.894908
  C      -2.555052     -1.830453      3.408822
  C      -3.094161     -2.186407      2.013429
  C      -2.023558     -1.957837      0.911071
  C      -0.808355     -2.927147      1.005599
  C       0.452320     -2.071656      0.769762
  C      -0.070946     -0.820574      0.052784
  C      -1.390270     -0.554953      0.782856
  C      -4.379437     -1.376745      1.737943
  C      -8.923362      0.655530      7.155887
  C      -9.069125      0.840121      5.645528
  C      -9.170061     -0.473605      4.861857
  C      -7.853473     -1.247824      4.845626
  N      -7.956571     -2.579956      4.263312
  C      -8.277653     -2.537292      2.829574
  C      -8.011325     -3.896222      2.173943
  C      -8.204771     -5.011387      3.192492
  C      -7.121864     -4.924951      4.297324
  C      -7.665915     -5.480621      5.643207
  C      -6.647852     -5.424988      6.799196
  C      -6.975979     -6.601506      7.747640
  C      -8.278710     -7.212504      7.192476
  C      -8.194110     -6.927565      5.689385
  C      -6.802954     -3.419280      4.534640
  C      -2.936345      0.037223      9.407292
  C      -3.809064     -1.059435     10.018805
  C      -3.308449     -2.480752      9.734351
  C      -3.515668     -2.891484      8.277563
  N      -2.826518     -4.118574      7.893363
  C      -3.378287     -5.322456      8.523389
  C      -2.518383     -6.535320      8.191914
  C      -2.440244     -6.709115      6.676402
  C      -1.982883     -5.449329      5.902519
  C      -0.432326     -5.232577      5.950351
  C       0.046342     -4.231767      4.867636
  C       1.218137     -3.459925      5.476696
  C       0.817002     -3.337372      6.948276
  C       0.194920     -4.702774      7.281782
  C      -2.739449     -4.219279      6.444120
  H      -3.306931      4.683983      0.167807
  H      -3.953734      4.701995      1.821349
  H      -5.058961      4.790290      0.436962
  H      -3.283037      2.357188      1.134885
  H      -4.367207      2.442362     -0.244494
  H      -5.246123      2.641187      2.689961
  H      -6.328705      2.697530      1.309777
  H      -6.386443      0.452479      2.261187
  H      -5.717172      0.422506      0.614828
  H      -4.877324     -0.321605      4.093195
  H      -4.109801      1.254106      3.782598
  H      -2.592684     -0.370553      4.989977
  H      -1.935193      0.257769      3.476917
  H      -3.102331     -2.494782      4.114237
  H      -1.504314     -2.144549      3.486788
  H      -2.527319     -2.137202     -0.054046
  H      -0.893392     -3.712333      0.238898
  H      -0.785626     -3.445193      1.973854
  H       0.889430     -1.771129      1.736599
  H       1.235964     -2.604171      0.212449
  H       0.626836      0.028770      0.090781
  H      -0.264599     -1.044330     -1.010366
  H      -1.162495     -0.135861      1.772578
  H      -2.049429      0.163582      0.279401
  H      -5.192890     -1.869017      2.315937
  H      -4.641639     -1.465448      0.670622
  H      -9.770339      0.082983      7.564162
  H      -8.002474      0.114549      7.418700
  H      -8.892585      1.623382      7.676498
  H      -9.967093      1.445141      5.442027
  H      -8.218993      1.428680      5.258413
  H      -9.484414     -0.251199      3.830460
  H      -9.955718     -1.111956      5.301466
  H      -7.093583     -0.634233      4.306399
  H      -7.483881     -1.373777      5.875200
  H      -9.338377     -2.261570      2.721787
  H      -7.687432     -1.745366      2.320082
  H      -8.668536     -4.022698      1.301518
  H      -6.973070     -3.940763      1.803470
  H      -8.166399     -5.998051      2.711610
  H      -9.205405     -4.931375      3.647641
  H      -8.522576     -4.826296      5.893127
  H      -5.636550     -5.518130      6.377109
  H      -6.681336     -4.460811      7.325233
  H      -7.076812     -6.286015      8.795419
  H      -6.154041     -7.333795      7.721172
  H      -9.149345     -6.685484      7.616413
  H      -8.392721     -8.279425      7.432617
  H      -9.148288     -7.056958      5.159036
  H      -7.469348     -7.621459      5.238866
  H      -6.493956     -3.259574      5.574940
  H      -5.911141     -3.135145      3.909424
  H      -2.901172     -0.025481      8.309844
  H      -3.312225      1.037964      9.664028
  H      -1.901544     -0.035300      9.775580
  H      -4.845090     -0.957753      9.651059
  H      -3.860700     -0.910262     11.108836
  H      -2.232853     -2.551486      9.970134
  H      -3.824372     -3.187767     10.402006
  H      -3.128904     -2.096817      7.620324
  H      -4.609310     -2.956983      8.066179
  H      -4.423946     -5.515329      8.194992
  H      -3.405035     -5.159152      9.609708
  H      -1.519158     -6.414195      8.633287
  H      -2.967018     -7.431867      8.648106
  H      -3.453000     -6.945825      6.306951
  H      -1.793492     -7.559163      6.406383
  H       0.011218     -6.218743      5.736628
  H      -0.768190     -3.531851      4.637190
  H       0.302521     -4.729401      3.922563
  H       2.153838     -4.037128      5.390687
  H       1.374468     -2.486116      4.987634
  H       0.055274     -2.546771      7.059411
  H       1.651691     -3.074770      7.614273
  H       0.974859     -5.400101      7.624798
  H      -0.544026     -4.608751      8.082202
  H      -3.770083     -4.250441      5.970460
  H      -2.257886     -3.303967      6.072134
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.791489443734
  N      -3.445307     -3.635334      2.100098
  C      -3.669917     -4.322496      0.822664
  C      -3.192776     -5.761532      0.964167
  N      -3.754452     -6.336731      2.226480
  C      -5.106727     -6.930415      2.009344
  C      -5.889210     -6.885345      3.314486
  N      -5.853523     -5.516644      3.830964
  Mo     -3.997926     -4.765947      3.650548
  N      -2.435943     -5.635396      4.510688
  C      -1.776889     -6.628935      3.665305
  C      -2.833098     -7.344341      2.842129
  H      -1.219241     -7.384246      4.246050
  H      -1.031468     -6.156831      2.993017
  H      -3.443519     -7.969738      3.505848
  H      -2.391328     -7.980658      2.053111
  H      -6.907536     -7.254438      3.109745
  H      -5.458196     -7.600713      4.041650
  H      -5.616857     -6.309800      1.260091
  H      -4.999077     -7.955877      1.609895
  H      -3.122734     -3.877478     -0.024825
  H      -4.740179     -4.307538      0.526841
  H      -2.098874     -5.770143      1.062830
  H      -3.473331     -6.395703      0.104656
  C      -4.233618      4.300834      0.681808
  C      -4.308087      2.777209      0.704102
  C      -5.433968      2.251147      1.591932
  C      -5.542769      0.727254      1.608810
  N      -4.327378      0.044436      2.053610
  C      -4.106617      0.218570      3.485934
  C      -2.755170     -0.350422      3.889048
  C      -2.592511     -1.800493      3.437298
  C      -3.095100     -2.171975      2.034277
  C      -2.014791     -1.932976      0.942619
  C      -0.796118     -2.897075      1.040041
  C       0.461073     -2.037927      0.796929
  C      -0.068516     -0.790180      0.082204
  C      -1.383774     -0.529365      0.819725
  C      -4.385669     -1.381962      1.732852
  C      -8.806678      0.702214      7.200875
  C      -9.002439      0.871920      5.694685
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  C      -7.815883     -1.229410      4.886954
  N      -7.934366     -2.553709      4.292249
  C      -8.268951     -2.492687      2.863680
  C      -8.008362     -3.842059      2.190484
  C      -8.205903     -4.967382      3.196154
  C      -7.113941     -4.906247      4.297106
  C      -7.673444     -5.483047      5.627744
  C      -6.682107     -5.419879      6.807491
  C      -7.001464     -6.619723      7.730705
  C      -8.277669     -7.249338      7.143558
  C      -8.173387     -6.940040      5.647453
  C      -6.785705     -3.404571      4.544549
  C      -2.980525      0.037257      9.332027
  C      -3.830486     -1.063776      9.966226
  C      -3.305653     -2.479778      9.703193
  C      -3.497655     -2.910111      8.250739
  N      -2.797154     -4.136592      7.888153
  C      -3.334835     -5.332347      8.540820
  C      -2.478296     -6.549137      8.214855
  C      -2.412067     -6.739408      6.702121
  C      -1.964077     -5.488176      5.906530
  C      -0.415148     -5.274770      5.945154
  C       0.058179     -4.228923      4.906471
  C       1.208434     -3.456362      5.556314
  C       0.799803     -3.409499      7.029589
  C       0.212672     -4.803241      7.296008
  C      -2.709220     -4.252588      6.442712
  H      -3.420450      4.658759      0.034768
  H      -4.056899      4.703277      1.690828
  H      -5.171655      4.742786      0.312731
  H      -3.352344      2.354809      1.049871
  H      -4.450189      2.393121     -0.320659
  H      -5.308112      2.640257      2.615828
  H      -6.400701      2.651852      1.242829
  H      -6.415612      0.422724      2.233769
  H      -5.754061      0.375926      0.585463
  H      -4.915300     -0.284006      4.068397
  H      -4.151691      1.288452      3.731053
  H      -2.637843     -0.306631      4.984230
  H      -1.967990      0.289617      3.467287
  H      -3.171027     -2.442930      4.135713
  H      -1.546919     -2.119685      3.548124
  H      -2.509794     -2.109430     -0.027610
  H      -0.880035     -3.687000      0.278679
  H      -0.769348     -3.408762      2.010997
  H       0.902014     -1.735958      1.760608
  H       1.242569     -2.568533      0.235468
  H       0.626893      0.060779      0.115958
  H      -0.266709     -1.015599     -0.979344
  H      -1.149126     -0.116484      1.809263
  H      -2.046977      0.190521      0.323975
  H      -5.199794     -1.875690      2.310036
  H      -4.636358     -1.486489      0.664638
  H      -9.637474      0.131413      7.642243
  H      -7.876288      0.167328      7.439075
  H      -8.762813      1.674919      7.710439
  H      -9.906906      1.474153      5.515218
  H      -8.165770      1.456278      5.274622
  H      -9.463128     -0.235070      3.900122
  H      -9.905874     -1.078723      5.389303
  H      -7.059698     -0.615579      4.343392
  H      -7.436007     -1.365724      5.910935
  H      -9.330894     -2.215907      2.769276
  H      -7.683278     -1.693817      2.358148
  H      -8.667887     -3.953884      1.318343
  H      -6.970947     -3.885453      1.818773
  H      -8.176341     -5.946131      2.700047
  H      -9.203684     -4.886010      3.656179
  H      -8.546566     -4.847859      5.867773
  H      -5.659726     -5.480759      6.404864
  H      -6.753533     -4.466278      7.348227
  H      -7.130912     -6.323475      8.780714
  H      -6.165003     -7.334599      7.709494
  H      -9.165768     -6.748573      7.561925
  H      -8.371687     -8.322065      7.364271
  H      -9.116449     -7.080532      5.100488
  H      -7.428798     -7.612910      5.199875
  H      -6.466456     -3.250419      5.582039
  H      -5.898640     -3.123877      3.913384
  H      -2.946377     -0.045375      8.236101
  H      -3.375423      1.034595      9.570993
  H      -1.944010     -0.007935      9.698417
  H      -4.869764     -0.986793      9.602681
  H      -3.878397     -0.897662     11.053718
  H      -2.231386     -2.531035      9.947902
  H      -3.816782     -3.185206     10.375362
  H      -3.113224     -2.120870      7.586158
  H      -4.589535     -2.988975      8.031717
  H      -4.381455     -5.532012      8.230638
  H      -3.345366     -5.153631      9.624912
  H      -1.476177     -6.428333      8.649416
  H      -2.926441     -7.439686      8.682502
  H      -3.426484     -6.979495      6.341841
  H      -1.766557     -7.591494      6.436693
  H       0.026461     -6.251086      5.688376
  H      -0.765864     -3.536282      4.690794
  H       0.337704     -4.687180      3.949322
  H       2.159001     -4.003608      5.448242
  H       1.341005     -2.457876      5.113351
  H       0.016960     -2.645305      7.173208
  H       1.625928     -3.157099      7.709473
  H       1.011535     -5.499416      7.593958
  H      -0.519297     -4.767235      8.107174
  H      -3.740902     -4.283003      5.966419
  H      -2.221611     -3.342451      6.066460
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.793248908590
  N      -3.448091     -3.637760      2.127136
  C      -3.623717     -4.315960      0.835714
  C      -3.150642     -5.756738      0.980616
  N      -3.753973     -6.347490      2.216606
  C      -5.107380     -6.917917      1.950507
  C      -5.927849     -6.891711      3.235045
  N      -5.875634     -5.537086      3.788288
  Mo     -4.011932     -4.796246      3.653904
  N      -2.476266     -5.697828      4.527765
  C      -1.812879     -6.704395      3.702410
  C      -2.861707     -7.379883      2.832934
  H      -1.309820     -7.485038      4.299781
  H      -1.024738     -6.254620      3.063749
  H      -3.496214     -8.012431      3.467904
  H      -2.409555     -8.006389      2.041963
  H      -6.948595     -7.227014      2.985035
  H      -5.538790     -7.642895      3.950140
  H      -5.590628     -6.273583      1.203211
  H      -5.004448     -7.935602      1.530055
  H      -3.043712     -3.865958      0.012742
  H      -4.682073     -4.298911      0.499489
  H      -2.060364     -5.761833      1.118629
  H      -3.397008     -6.380781      0.102861
  C      -4.210644      4.301679      0.695960
  C      -4.290761      2.777738      0.727039
  C      -5.415907      2.259947      1.622076
  C      -5.529308      0.736028      1.644716
  N      -4.315602      0.051365      2.094457
  C      -4.108465      0.220081      3.530730
  C      -2.769163     -0.365340      3.950673
  C      -2.620831     -1.818682      3.502332
  C      -3.094345     -2.173351      2.084858
  C      -1.994002     -1.925341      1.015284
  C      -0.795109     -2.916742      1.101290
  C       0.481168     -2.079650      0.878099
  C      -0.021507     -0.803608      0.192194
  C      -1.332831     -0.532547      0.934648
  C      -4.376341     -1.374258      1.765765
  C      -8.718272      0.683749      7.300708
  C      -8.974181      0.844009      5.801726
  C      -9.114477     -0.481109      5.041716
  C      -7.801747     -1.256921      4.964306
  N      -7.933861     -2.568984      4.344632
  C      -8.290811     -2.477481      2.922179
  C      -8.039787     -3.811896      2.217279
  C      -8.236443     -4.956552      3.201323
  C      -7.124519     -4.928453      4.286601
  C      -7.659070     -5.540506      5.609158
  C      -6.653489     -5.480966      6.780202
  C      -6.928339     -6.713316      7.674445
  C      -8.198747     -7.358514      7.088808
  C      -8.124945     -7.008533      5.599206
  C      -6.786573     -3.433551      4.565365
  C      -3.029648      0.161297      9.121219
  C      -3.889786     -0.915374      9.784575
  C      -3.364958     -2.342237      9.583357
  C      -3.522689     -2.822698      8.142460
  N      -2.821472     -4.066262      7.838368
  C      -3.379938     -5.232137      8.525773
  C      -2.536985     -6.472752      8.255752
  C      -2.447459     -6.716197      6.752065
  C      -1.984431     -5.499089      5.910290
  C      -0.432903     -5.307395      5.933300
  C       0.057196     -4.330788      4.834460
  C       1.191232     -3.505904      5.452094
  C       0.763475     -3.376471      6.915469
  C       0.194986     -4.761770      7.256067
  C      -2.717021     -4.236290      6.400046
  H      -3.396731      4.652877      0.045200
  H      -4.030503      4.709228      1.702887
  H      -5.148277      4.744736      0.325649
  H      -3.334959      2.353587      1.071850
  H      -4.439424      2.389027     -0.295475
  H      -5.284957      2.653067      2.644184
  H      -6.382481      2.662186      1.273200
  H      -6.402678      0.435683      2.271114
  H      -5.740927      0.382179      0.621978
  H      -4.930402     -0.273546      4.102184
  H      -4.144797      1.290695      3.776449
  H      -2.666743     -0.322293      5.047898
  H      -1.966722      0.264882      3.542173
  H      -3.229806     -2.453312      4.181275
  H      -1.582133     -2.152883      3.634876
  H      -2.479659     -2.065069      0.034304
  H      -0.891745     -3.691946      0.326035
  H      -0.782956     -3.445510      2.063480
  H       0.928691     -1.812482      1.849520
  H       1.250570     -2.614300      0.302977
  H       0.691617      0.032083      0.246865
  H      -0.222327     -1.000015     -0.875077
  H      -1.088139     -0.154390      1.936315
  H      -1.979681      0.215584      0.458464
  H      -5.204619     -1.866687      2.323896
  H      -4.608520     -1.469072      0.692318
  H      -9.522630      0.101023      7.775647
  H      -7.770104      0.166141      7.506350
  H      -8.672408      1.660174      7.804092
  H      -9.892521      1.434678      5.655383
  H      -8.160529      1.435673      5.347141
  H      -9.480186     -0.271606      4.024479
  H      -9.876295     -1.113342      5.529187
  H      -7.057209     -0.631857      4.417162
  H      -7.404121     -1.411064      5.979229
  H      -9.355163     -2.201666      2.848802
  H      -7.713757     -1.667303      2.423803
  H      -8.706329     -3.902873      1.347522
  H      -7.005295     -3.850624      1.837285
  H      -8.228090     -5.923287      2.681276
  H      -9.225049     -4.871359      3.679918
  H      -8.541513     -4.927764      5.872494
  H      -5.634361     -5.503387      6.364810
  H      -6.745874     -4.544396      7.347334
  H      -7.050052     -6.448088      8.734179
  H      -6.073589     -7.406171      7.623278
  H      -9.092328     -6.891156      7.534796
  H      -8.263392     -8.439365      7.281188
  H      -9.073358     -7.157158      5.062712
  H      -7.370465     -7.651155      5.122471
  H      -6.456305     -3.301119      5.603779
  H      -5.905529     -3.145722      3.930375
  H      -2.976740      0.035108      8.029579
  H      -3.430252      1.166926      9.313911
  H      -1.998883      0.132205      9.506591
  H      -4.924143     -0.850890      9.403797
  H      -3.952238     -0.708412     10.864705
  H      -2.297095     -2.389325      9.856959
  H      -3.897669     -3.021115     10.266742
  H      -3.117126     -2.058083      7.461161
  H      -4.609516     -2.904483      7.898779
  H      -4.426636     -5.432236      8.206586
  H      -3.403175     -5.014868      9.602948
  H      -1.541093     -6.358394      8.707022
  H      -3.010965     -7.339507      8.743071
  H      -3.457669     -6.966579      6.386609
  H      -1.801138     -7.580624      6.529725
  H      -0.005041     -6.304281      5.738546
  H      -0.767232     -3.661688      4.555674
  H       0.360183     -4.848190      3.914789
  H       2.149729     -4.047037      5.388122
  H       1.319804     -2.533881      4.951845
  H      -0.034381     -2.618772      7.004032
  H       1.577785     -3.070792      7.588428
  H       1.004337     -5.432480      7.584220
  H      -0.532709     -4.692550      8.069403
  H      -3.747969     -4.277007      5.917434
  H      -2.219555     -3.342665      5.996260
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.794294694874
  N      -3.450182     -3.657511      2.151951
  C      -3.586921     -4.326110      0.849269
  C      -3.119111     -5.768614      0.995280
  N      -3.764418     -6.372534      2.203548
  C      -5.120478     -6.909973      1.889368
  C      -5.976215     -6.896933      3.152120
  N      -5.906387     -5.558020      3.740773
  Mo     -4.030469     -4.837210      3.657373
  N      -2.518032     -5.772861      4.540456
  C      -1.861523     -6.795134      3.730834
  C      -2.906164     -7.430955      2.820994
  H      -1.413667     -7.598268      4.342328
  H      -1.034511     -6.372576      3.123497
  H      -3.565927     -8.065087      3.429194
  H      -2.447862     -8.052799      2.030074
  H      -6.997693     -7.196540      2.860973
  H      -5.627545     -7.680971      3.853106
  H      -5.574471     -6.238610      1.147190
  H      -5.029819     -7.919421      1.447054
  H      -2.982337     -3.872648      0.046064
  H      -4.634916     -4.306447      0.481922
  H      -2.033609     -5.771987      1.169891
  H      -3.333225     -6.380057      0.100019
  C      -4.221535      4.269462      0.675241
  C      -4.294628      2.744445      0.712178
  C      -5.440423      2.224461      1.580605
  C      -5.545309      0.699517      1.606633
  N      -4.341973      0.025433      2.098682
  C      -4.194089      0.194119      3.542873
  C      -2.875447     -0.392036      4.022236
  C      -2.710676     -1.847021      3.582446
  C      -3.107007     -2.192790      2.138326
  C      -1.952075     -1.922303      1.132066
  C      -0.728662     -2.872660      1.308000
  C       0.532176     -2.001025      1.132164
  C       0.025658     -0.753645      0.395280
  C      -1.330479     -0.510580      1.065037
  C      -4.380336     -1.400198      1.765254
  C      -8.522014      0.698805      7.365047
  C      -8.859172      0.854137      5.880930
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  N      -7.904768     -2.561036      4.366705
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  C      -8.075189     -3.773909      2.227907
  C      -8.273919     -4.929386      3.200654
  C      -7.137110     -4.936879      4.263513
  C      -7.659017     -5.553121      5.589092
  C      -6.637266     -5.500962      6.748701
  C      -6.896215     -6.743735      7.633761
  C      -8.176935     -7.383782      7.062443
  C      -8.127491     -7.020152      5.574695
  C      -6.767057     -3.449951      4.549183
  C      -3.105219      0.223188      8.937330
  C      -3.919812     -0.849427      9.663708
  C      -3.363356     -2.270411      9.504441
  C      -3.526512     -2.802570      8.082169
  N      -2.810174     -4.046496      7.809296
  C      -3.349387     -5.196742      8.536400
  C      -2.504056     -6.441192      8.288300
  C      -2.429368     -6.728790      6.790706
  C      -1.993410     -5.532404      5.903636
  C      -0.443576     -5.333728      5.879825
  C       0.013685     -4.395469      4.730522
  C       1.116757     -3.496668      5.303973
  C       0.700715     -3.329769      6.767768
  C       0.202358     -4.726606      7.166492
  C      -2.723277     -4.258677      6.374728
  H      -3.391301      4.620754      0.044917
  H      -4.071105      4.682612      1.685074
  H      -5.151507      4.704700      0.276534
  H      -3.345994      2.327350      1.084954
  H      -4.416218      2.350702     -0.312245
  H      -5.337151      2.622242      2.604400
  H      -6.399721      2.619373      1.203695
  H      -6.435746      0.394982      2.208139
  H      -5.721593      0.340985      0.578721
  H      -5.040185     -0.298342      4.078045
  H      -4.240202      1.265327      3.786634
  H      -2.825186     -0.345633      5.123209
  H      -2.053500      0.236689      3.651216
  H      -3.362386     -2.479653      4.220509
  H      -1.681215     -2.185858      3.769291
  H      -2.372757     -2.093828      0.126349
  H      -0.756864     -3.669810      0.549755
  H      -0.753231     -3.375666      2.283685
  H       0.922763     -1.704935      2.120165
  H       1.344077     -2.522776      0.605070
  H       0.708544      0.105872      0.469745
  H      -0.113734     -0.976389     -0.676828
  H      -1.145991     -0.111888      2.072358
  H      -1.974228      0.209602      0.543514
  H      -5.230167     -1.897644      2.285186
  H      -4.564637     -1.493288      0.682392
  H      -9.296040      0.111049      7.883128
  H      -7.559556      0.189528      7.520932
  H      -8.457833      1.677836      7.862101
  H      -9.786483      1.441229      5.783479
  H      -8.071858      1.445500      5.381359
  H      -9.444849     -0.262864      4.130501
  H      -9.782599     -1.100112      5.652992
  H      -7.003881     -0.633318      4.433747
  H      -7.305394     -1.429440      5.998737
  H      -9.360350     -2.162219      2.910005
  H      -7.724523     -1.634657      2.452112
  H      -8.757153     -3.845255      1.367829
  H      -7.048122     -3.821346      1.829728
  H      -8.302055     -5.886508      2.663920
  H      -9.247765     -4.826624      3.704812
  H      -8.534450     -4.937392      5.867829
  H      -5.623001     -5.516821      6.321685
  H      -6.728672     -4.570307      7.325913
  H      -7.001270     -6.488684      8.698091
  H      -6.043657     -7.438731      7.561936
  H      -9.063912     -6.922666      7.528664
  H      -8.236904     -8.467162      7.243748
  H      -9.086422     -7.162446      5.054939
  H      -7.381721     -7.659079      5.079663
  H      -6.410243     -3.331852      5.581182
  H      -5.898807     -3.173075      3.892951
  H      -3.076607      0.055618      7.849950
  H      -3.528762      1.224580      9.102727
  H      -2.064391      0.234823      9.296589
  H      -4.964681     -0.826402      9.307002
  H      -3.960208     -0.602572     10.736665
  H      -2.291284     -2.283043      9.765769
  H      -3.873596     -2.936772     10.217249
  H      -3.138477     -2.054245      7.373198
  H      -4.613727     -2.910020      7.852444
  H      -4.400659     -5.411972      8.235728
  H      -3.359339     -4.951358      9.607668
  H      -1.503771     -6.313184      8.726775
  H      -2.970438     -7.295915      8.803908
  H      -3.440358     -7.003685      6.445410
  H      -1.773354     -7.591695      6.590485
  H      -0.013087     -6.335468      5.717583
  H      -0.836430     -3.775986      4.416827
  H       0.339840     -4.944746      3.836711
  H       2.097572     -3.997871      5.248710
  H       1.199287     -2.540208      4.764803
  H      -0.132289     -2.608836      6.838455
  H       1.508454     -2.961221      7.417169
  H       1.050438     -5.353325      7.484623
  H      -0.499701     -4.664535      8.002856
  H      -3.765218     -4.322024      5.913554
  H      -2.240723     -3.372581      5.937743
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.795523514428
  N      -3.430151     -3.633086      2.175461
  C      -3.534131     -4.293876      0.864534
  C      -3.062515     -5.734452      1.008537
  N      -3.741311     -6.354761      2.190023
  C      -5.097915     -6.864516      1.831533
  C      -5.981286     -6.868560      3.074286
  N      -5.902748     -5.547903      3.701917
  Mo     -4.018249     -4.838543      3.663168
  N      -2.534789     -5.811289      4.560592
  C      -1.883008     -6.845820      3.763038
  C      -2.917713     -7.438448      2.810360
  H      -1.489871     -7.670961      4.383817
  H      -1.019041     -6.449731      3.190433
  H      -3.605618     -8.072098      3.387808
  H      -2.451199     -8.055521      2.020497
  H      -7.001511     -7.137758      2.749971
  H      -5.664894     -7.682150      3.756923
  H      -5.526921     -6.169079      1.096313
  H      -5.013589     -7.864598      1.367360
  H      -2.912364     -3.832536      0.078210
  H      -4.573214     -4.276000      0.472839
  H      -1.982285     -5.732964      1.214990
  H      -3.245904     -6.334826      0.098690
  C      -4.223830      4.270223      0.581369
  C      -4.296941      2.745587      0.647006
  C      -5.428142      2.241186      1.543853
  C      -5.533192      0.716817      1.599740
  N      -4.323560      0.052947      2.091681
  C      -4.169229      0.242112      3.533834
  C      -2.856711     -0.347983      4.023470
  C      -2.703301     -1.811010      3.606333
  C      -3.090375     -2.167499      2.161587
  C      -1.935544     -1.902668      1.150894
  C      -0.734111     -2.886750      1.292725
  C       0.547685     -2.045758      1.107767
  C       0.061632     -0.771066      0.404349
  C      -1.277341     -0.505900      1.100531
  C      -4.363008     -1.377870      1.777187
  C      -8.465720      0.617117      7.492977
  C      -8.908704      0.778441      6.036978
  C      -9.081874     -0.544230      5.279116
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  N      -7.922197     -2.574183      4.404558
  C      -8.350871     -2.438690      3.004147
  C      -8.115287     -3.748381      2.246312
  C      -8.282963     -4.923786      3.202855
  C      -7.127640     -4.934514      4.246336
  C      -7.631400     -5.559963      5.576817
  C      -6.587227     -5.535033      6.718707
  C      -6.843900     -6.787703      7.590879
  C      -8.147061     -7.401670      7.039392
  C      -8.124278     -7.019072      5.555357
  C      -6.765292     -3.447838      4.541137
  C      -3.148872      0.283173      8.782567
  C      -3.956493     -0.770811      9.544585
  C      -3.387676     -2.191886      9.434322
  C      -3.529413     -2.762492      8.024896
  N      -2.818981     -4.018769      7.793650
  C      -3.383928     -5.148007      8.534781
  C      -2.554461     -6.409287      8.320978
  C      -2.463610     -6.731365      6.830426
  C      -2.007152     -5.557875      5.921835
  C      -0.454508     -5.388357      5.905571
  C       0.029210     -4.453768      4.763399
  C       1.105887     -3.537098      5.361643
  C       0.661429     -3.382944      6.819019
  C       0.186574     -4.792686      7.200196
  C      -2.713735     -4.260262      6.364203
  H      -3.403308      4.609271     -0.068678
  H      -4.056921      4.701158      1.581563
  H      -5.160488      4.698438      0.189698
  H      -3.342148      2.334640      1.011740
  H      -4.436720      2.334089     -0.368464
  H      -5.306321      2.657055      2.558875
  H      -6.393847      2.630048      1.176076
  H      -6.416135      0.424304      2.217583
  H      -5.720918      0.339388      0.580441
  H      -5.018116     -0.234082      4.077140
  H      -4.206006      1.317691      3.761651
  H      -2.812184     -0.283736      5.124073
  H      -2.027284      0.268117      3.647691
  H      -3.373635     -2.425761      4.241324
  H      -1.679902     -2.161082      3.807780
  H      -2.370383     -2.044847      0.146326
  H      -0.794645     -3.672197      0.523991
  H      -0.756679     -3.402741      2.260841
  H       0.967325     -1.780556      2.092878
  H       1.333724     -2.579542      0.553633
  H       0.767670      0.069512      0.484465
  H      -0.100388     -0.968669     -0.669837
  H      -1.065004     -0.131971      2.112143
  H      -1.910336      0.240338      0.602877
  H      -5.215855     -1.867972      2.299370
  H      -4.543738     -1.483827      0.694676
  H      -9.174512     -0.016202      8.050224
  H      -7.470739      0.154070      7.575730
  H      -8.416381      1.591244      8.002114
  H      -9.865309      1.325238      6.011543
  H      -8.182108      1.410355      5.496088
  H      -9.547631     -0.334041      4.303259
  H      -9.776519     -1.204325      5.827720
  H      -7.077918     -0.621200      4.486278
  H      -7.281812     -1.467934      6.039623
  H      -9.422795     -2.183225      2.988543
  H      -7.811246     -1.604039      2.504850
  H      -8.808224     -3.816163      1.394262
  H      -7.093454     -3.770281      1.832001
  H      -8.315747     -5.872615      2.650520
  H      -9.246775     -4.836954      3.729070
  H      -8.489699     -4.932559      5.881915
  H      -5.580018     -5.556413      6.275010
  H      -6.660648     -4.611252      7.309847
  H      -6.921134     -6.546724      8.661166
  H      -6.004974     -7.495987      7.489970
  H      -9.017640     -6.935325      7.531464
  H      -8.218445     -8.486982      7.206981
  H      -9.097723     -7.139409      5.056806
  H      -7.400432     -7.663568      5.036667
  H      -6.383125     -3.338106      5.564718
  H      -5.921209     -3.151205      3.861869
  H      -3.118252      0.078943      7.700995
  H      -3.579951      1.286645      8.914595
  H      -2.107891      0.313372      9.141551
  H      -5.001136     -0.769236      9.185427
  H      -4.000748     -0.488311     10.608793
  H      -2.318612     -2.188608      9.709195
  H      -3.903155     -2.841152     10.159694
  H      -3.123602     -2.036017      7.303519
  H      -4.613132     -2.869309      7.779443
  H      -4.434580     -5.354045      8.222083
  H      -3.406092     -4.883436      9.601344
  H      -1.558241     -6.287819      8.771500
  H      -3.040644     -7.246331      8.847855
  H      -3.472677     -7.006125      6.478773
  H      -1.811851     -7.604235      6.660487
  H      -0.041938     -6.398096      5.745383
  H      -0.820085     -3.850730      4.416291
  H       0.391407     -5.007651      3.885853
  H       2.095799     -4.022553      5.323476
  H       1.185713     -2.578016      4.826148
  H      -0.189124     -2.681187      6.878547
  H       1.450463     -3.000573      7.483760
  H       1.047423     -5.410026      7.503621
  H      -0.511213     -4.755703      8.041932
  H      -3.753317     -4.308697      5.891337
  H      -2.206714     -3.393067      5.919001
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.796245616168
  N      -3.390178     -3.644982      2.177673
  C      -3.481002     -4.317429      0.871611
  C      -3.007781     -5.756051      1.032609
  N      -3.708094     -6.368496      2.204398
  C      -5.067832     -6.857583      1.828375
  C      -5.969979     -6.845764      3.056803
  N      -5.873006     -5.529469      3.688105
  Mo     -3.978526     -4.844300      3.670664
  N      -2.519127     -5.840146      4.584604
  C      -1.879637     -6.893970      3.804605
  C      -2.913021     -7.464253      2.837732
  H      -1.520487     -7.726545      4.436806
  H      -0.996544     -6.524358      3.244553
  H      -3.622404     -8.083233      3.403981
  H      -2.447666     -8.091989      2.055787
  H      -6.990882     -7.090278      2.716751
  H      -5.682224     -7.668972      3.740426
  H      -5.475711     -6.158223      1.085317
  H      -4.992806     -7.860097      1.368399
  H      -2.852636     -3.862759      0.087299
  H      -4.516110     -4.304262      0.470173
  H      -1.932122     -5.751741      1.259727
  H      -3.174092     -6.361520      0.122751
  C      -4.357443      4.213750      0.491679
  C      -4.396543      2.688872      0.572410
  C      -5.516377      2.168624      1.473763
  C      -5.585552      0.643202      1.548371
  N      -4.362186      0.014714      2.050978
  C      -4.227277      0.223357      3.491330
  C      -2.911840     -0.333350      4.007326
  C      -2.722841     -1.796295      3.604880
  C      -3.077219     -2.174578      2.155875
  C      -1.919108     -1.893968      1.151513
  C      -0.726069     -2.890918      1.262321
  C       0.562352     -2.058673      1.082348
  C       0.082038     -0.762082      0.416987
  C      -1.247873     -0.502697      1.131442
  C      -4.365075     -1.419930      1.753222
  C      -8.184638      0.589200      7.667518
  C      -8.704111      0.790494      6.242248
  C      -8.920514     -0.510741      5.459966
  C      -7.618464     -1.258920      5.178252
  N      -7.812743     -2.520373      4.475021
  C      -8.244890     -2.323330      3.084073
  C      -8.036242     -3.607335      2.275903
  C      -8.230414     -4.817021      3.184201
  C      -7.084727     -4.894504      4.234976
  C      -7.631345     -5.541526      5.538926
  C      -6.615140     -5.578213      6.704210
  C      -6.921442     -6.850498      7.529346
  C      -8.226087     -7.414668      6.930622
  C      -8.162103     -6.984651      5.460804
  C      -6.678392     -3.428342      4.573579
  C      -3.345010      0.288083      8.682475
  C      -4.136401     -0.776566      9.446016
  C      -3.519563     -2.180041      9.377341
  C      -3.605446     -2.776503      7.974720
  N      -2.863434     -4.020830      7.783678
  C      -3.429082     -5.150816      8.523935
  C      -2.573169     -6.398662      8.346895
  C      -2.439912     -6.740167      6.863741
  C      -1.993469     -5.570851      5.943640
  C      -0.440703     -5.386146      5.931212
  C       0.043917     -4.465457      4.777602
  C       1.078425     -3.499959      5.373525
  C       0.615878     -3.339799      6.823766
  C       0.189037     -4.760765      7.217007
  C      -2.718070     -4.276162      6.360369
  H      -3.544184      4.564111     -0.160823
  H      -4.201292      4.657833      1.487465
  H      -5.302786      4.616681      0.095111
  H      -3.433386      2.303104      0.941991
  H      -4.526532      2.264738     -0.438865
  H      -5.404909      2.598901      2.483704
  H      -6.490308      2.530545      1.100877
  H      -6.461617      0.337144      2.170582
  H      -5.763164      0.248468      0.534067
  H      -5.071923     -0.265151      4.029697
  H      -4.290044      1.300061      3.706483
  H      -2.893952     -0.256756      5.107746
  H      -2.088270      0.296280      3.642943
  H      -3.397446     -2.414394      4.231324
  H      -1.698733     -2.128697      3.829503
  H      -2.357345     -2.006351      0.144822
  H      -0.800782     -3.659093      0.477928
  H      -0.745267     -3.427366      2.218299
  H       0.998156     -1.823692      2.067611
  H       1.334925     -2.586601      0.504840
  H       0.796060      0.069705      0.512509
  H      -0.091113     -0.930172     -0.660182
  H      -1.021997     -0.158280      2.149795
  H      -1.877968      0.262129      0.659666
  H      -5.209753     -1.923439      2.276343
  H      -4.535177     -1.543552      0.671005
  H      -8.861148     -0.062513      8.242729
  H      -7.185725      0.128044      7.683571
  H      -8.110713      1.548379      8.200723
  H      -9.659292      1.338469      6.282062
  H      -8.005414      1.435696      5.681271
  H      -9.421266     -0.271348      4.508585
  H      -9.600757     -1.177741      6.017503
  H      -6.942069     -0.582919      4.602270
  H      -7.109753     -1.485548      6.128125
  H      -9.312118     -2.049039      3.083434
  H      -7.692661     -1.479562      2.614893
  H      -8.729437     -3.626955      1.421891
  H      -7.015713     -3.634621      1.858826
  H      -8.283580     -5.741353      2.593422
  H      -9.194862     -4.730070      3.709063
  H      -8.478896     -4.899977      5.843910
  H      -5.597634     -5.609569      6.285395
  H      -6.683420     -4.671939      7.322043
  H      -7.015911     -6.642179      8.604825
  H      -6.098984     -7.575432      7.423610
  H      -9.096144     -6.944135      7.418601
  H      -8.326234     -8.502563      7.060986
  H      -9.128103     -7.062214      4.940555
  H      -7.445390     -7.631148      4.934313
  H      -6.286144     -3.363085      5.596255
  H      -5.832955     -3.133072      3.897139
  H      -3.279030      0.062505      7.607217
  H      -3.812572      1.278417      8.782074
  H      -2.315687      0.360458      9.067110
  H      -5.171235     -0.816530      9.062156
  H      -4.215857     -0.475857     10.502880
  H      -2.459378     -2.137114      9.680549
  H      -4.033386     -2.832820     10.100358
  H      -3.193170     -2.053629      7.254138
  H      -4.678542     -2.910386      7.698098
  H      -4.466124     -5.378717      8.186676
  H      -3.484080     -4.874266      9.586105
  H      -1.591410     -6.254138      8.820605
  H      -3.057657     -7.236910      8.873092
  H      -3.433127     -7.047593      6.495777
  H      -1.762967     -7.598469      6.724364
  H      -0.020006     -6.395057      5.791054
  H      -0.816452     -3.903887      4.388687
  H       0.447943     -5.032535      3.927784
  H       2.084965     -3.950307      5.353735
  H       1.133139     -2.548663      4.822499
  H      -0.258245     -2.667178      6.868255
  H       1.386116     -2.922687      7.489181
  H       1.074428     -5.345329      7.514606
  H      -0.500244     -4.742570      8.065185
  H      -3.746540     -4.335390      5.863832
  H      -2.206093     -3.411571      5.920098
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.797191718991
  N      -3.392333     -3.643484      2.201196
  C      -3.483991     -4.308550      0.891583
  C      -3.014147     -5.748680      1.044442
  N      -3.721797     -6.369355      2.205645
  C      -5.083706     -6.848100      1.821224
  C      -5.990478     -6.836169      3.044872
  N      -5.885607     -5.527395      3.687408
  Mo     -3.985131     -4.854310      3.685521
  N      -2.535022     -5.865806      4.595185
  C      -1.903021     -6.919286      3.809104
  C      -2.936402     -7.473894      2.834664
  H      -1.550877     -7.759803      4.435375
  H      -1.017020     -6.551512      3.252942
  H      -3.653568     -8.092008      3.390859
  H      -2.471437     -8.098745      2.050040
  H      -7.013147     -7.068896      2.701333
  H      -5.712387     -7.666315      3.723928
  H      -5.483121     -6.145222      1.077356
  H      -5.011820     -7.849932      1.359317
  H      -2.856010     -3.849624      0.110215
  H      -4.518612     -4.290600      0.489745
  H      -1.940699     -5.747959      1.280019
  H      -3.176010     -6.346553      0.128591
  C      -4.259851      4.189166      0.380483
  C      -4.323735      2.667238      0.490267
  C      -5.454455      2.182970      1.397454
  C      -5.546151      0.660872      1.505829
  N      -4.333926      0.026495      2.027487
  C      -4.212024      0.255241      3.465862
  C      -2.914918     -0.315994      4.011141
  C      -2.744687     -1.787238      3.633601
  C      -3.075553     -2.173911      2.181810
  C      -1.897513     -1.892614      1.201374
  C      -0.689897     -2.865777      1.354503
  C       0.587268     -2.014283      1.184163
  C       0.097534     -0.734668      0.494078
  C      -1.249518     -0.490970      1.180153
  C      -4.350180     -1.412630      1.752366
  C      -8.109426      0.544196      7.753856
  C      -8.720981      0.737978      6.364760
  C      -8.943705     -0.564695      5.587441
  C      -7.638727     -1.280101      5.240662
  N      -7.832493     -2.532842      4.523098
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  C      -8.069692     -3.583277      2.304398
  C      -8.244267     -4.812231      3.189704
  C      -7.096963     -4.895817      4.236106
  C      -7.645825     -5.558938      5.530679
  C      -6.636022     -5.613317      6.698838
  C      -6.945650     -6.898585      7.502087
  C      -8.245847     -7.454908      6.887735
  C      -8.175272     -7.000200      5.425710
  C      -6.691982     -3.435399      4.594615
  C      -3.424685      0.306845      8.592455
  C      -4.186283     -0.761807      9.379342
  C      -3.536760     -2.151389      9.330957
  C      -3.616499     -2.771742      7.938926
  N      -2.857885     -4.008355      7.766492
  C      -3.406942     -5.132899      8.527850
  C      -2.537599     -6.372424      8.365136
  C      -2.412291     -6.739188      6.887206
  C      -1.992236     -5.579750      5.943205
  C      -0.440254     -5.383577      5.904594
  C       0.023612     -4.471680      4.734624
  C       1.051939     -3.486094      5.306803
  C       0.610524     -3.317939      6.762157
  C       0.206970     -4.740893      7.172109
  C      -2.720281     -4.284222      6.346641
  H      -3.439027      4.513649     -0.275508
  H      -4.099981      4.649544      1.367990
  H      -5.197033      4.599472     -0.027071
  H      -3.368334      2.273368      0.870946
  H      -4.456615      2.225970     -0.513081
  H      -5.340296      2.633586      2.398005
  H      -6.421427      2.551072      1.013188
  H      -6.427435      0.382936      2.133148
  H      -5.727666      0.245115      0.500734
  H      -5.071891     -0.210086      4.000277
  H      -4.258953      1.335739      3.663817
  H      -2.917651     -0.221942      5.110242
  H      -2.074323      0.293423      3.651480
  H      -3.444773     -2.385333      4.252044
  H      -1.732804     -2.138217      3.883876
  H      -2.309578     -2.025600      0.186077
  H      -0.735000     -3.649150      0.583301
  H      -0.718750     -3.385678      2.319530
  H       1.003862     -1.759060      2.172383
  H       1.377533     -2.536722      0.626307
  H       0.794504      0.110756      0.593201
  H      -0.052104     -0.918292     -0.583889
  H      -1.049001     -0.134293      2.199728
  H      -1.883150      0.259203      0.689860
  H      -5.206974     -1.899066      2.271896
  H      -4.507456     -1.551734      0.670168
  H      -8.726457     -0.134984      8.362716
  H      -7.096705      0.117666      7.703518
  H      -8.035104      1.500977      8.290768
  H      -9.688264      1.255662      6.466377
  H      -8.077883      1.408205      5.768188
  H      -9.495782     -0.334492      4.662395
  H      -9.579860     -1.250330      6.173183
  H      -7.000827     -0.579983      4.649985
  H      -7.086293     -1.512539      6.164063
  H      -9.354781     -2.057730      3.158897
  H      -7.749010     -1.458049      2.681931
  H      -8.770538     -3.592131      1.456737
  H      -7.053492     -3.592101      1.876045
  H      -8.290499     -5.727087      2.583551
  H      -9.208131     -4.745695      3.718826
  H      -8.495401     -4.922703      5.840612
  H      -5.615936     -5.636672      6.285663
  H      -6.708764     -4.716593      7.329899
  H      -7.044807     -6.708401      8.580368
  H      -6.122900     -7.620630      7.387977
  H      -9.119237     -6.993611      7.377811
  H      -8.344938     -8.544703      7.000402
  H      -9.138959     -7.068590      4.900571
  H      -7.456224     -7.637211      4.889325
  H      -6.290564     -3.389339      5.614563
  H      -5.854949     -3.124903      3.916469
  H      -3.355102      0.061049      7.522297
  H      -3.917277      1.286443      8.673295
  H      -2.397004      0.413538      8.972873
  H      -5.221937     -0.833017      9.002674
  H      -4.267131     -0.444600     10.431117
  H      -2.476685     -2.078554      9.628012
  H      -4.030768     -2.803923     10.067551
  H      -3.216376     -2.055617      7.205019
  H      -4.688405     -2.924938      7.666498
  H      -4.441814     -5.376650      8.201151
  H      -3.458738     -4.839766      9.585809
  H      -1.553954     -6.206567      8.827384
  H      -3.006226     -7.207322      8.910421
  H      -3.403345     -7.070373      6.535160
  H      -1.723043     -7.588649      6.757619
  H      -0.017066     -6.391776      5.769369
  H      -0.848049     -3.929659      4.340238
  H       0.429494     -5.048118      3.892363
  H       2.063481     -3.924169      5.277272
  H       1.088951     -2.540996      4.744585
  H      -0.267810     -2.651887      6.817608
  H       1.388203     -2.889307      7.411104
  H       1.107588     -5.311092      7.451113
  H      -0.462918     -4.728009      8.035788
  H      -3.753370     -4.355858      5.860625
  H      -2.216019     -3.425254      5.888759
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.798050732485
  N      -3.382801     -3.639511      2.189069
  C      -3.469047     -4.305116      0.880004
  C      -3.001834     -5.745422      1.036638
  N      -3.719095     -6.365515      2.191204
  C      -5.080643     -6.843895      1.801068
  C      -5.991238     -6.827854      3.022247
  N      -5.887799     -5.517829      3.664281
  Mo     -3.986775     -4.848664      3.670743
  N      -2.549817     -5.861312      4.596434
  C      -1.913084     -6.912941      3.812121
  C      -2.939773     -7.467687      2.831012
  H      -1.559870     -7.753388      4.437991
  H      -1.025864     -6.540383      3.260760
  H      -3.663887     -8.082488      3.381511
  H      -2.468789     -8.095444      2.052124
  H      -7.013451     -7.063680      2.678743
  H      -5.712053     -7.653942      3.705926
  H      -5.475628     -6.144375      1.051795
  H      -5.006370     -7.847665      1.343566
  H      -2.838070     -3.844657      0.101706
  H      -4.501664     -4.286152      0.472833
  H      -1.930778     -5.746191      1.282266
  H      -3.157492     -6.343211      0.119493
  C      -4.245920      4.177281      0.318861
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  C      -6.892527     -6.969307      7.449889
  C      -8.241097     -7.459203      6.884566
  C      -8.211614     -6.985054      5.427180
  C      -6.680081     -3.443292      4.600797
  C      -3.498093      0.300834      8.628510
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  N      -2.882902     -4.006674      7.774561
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  C      -0.008215     -4.437774      4.758949
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  H      -3.412240      4.502224     -0.320372
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  H      -4.417020      2.210850     -0.572745
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  H       1.394281     -2.520644      0.640709
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  H      -0.042921     -0.920722     -0.586211
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  H      -7.870294      1.537744      8.290380
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  H      -8.061597      1.411845      5.775330
  H      -9.497285     -0.368447      4.769132
  H      -9.504299     -1.259097      6.296850
  H      -6.989937     -0.582781      4.671025
  H      -7.023659     -1.523675      6.182353
  H      -9.366545     -2.047250      3.231813
  H      -7.770387     -1.441106      2.732174
  H      -8.814409     -3.556192      1.497418
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  H      -8.298275     -5.707812      2.580454
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  H      -6.934368     -6.796852      8.534865
  H      -6.104731     -7.719755      7.284636
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  H      -9.197125     -7.004756      4.940110
  H      -7.542776     -7.642160      4.852558
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  H      -3.441092      0.061012      7.556406
  H      -4.006994      1.270943      8.721825
  H      -2.466782      0.425259      8.993229
  H      -5.267919     -0.871710      9.063972
  H      -4.294802     -0.475192     10.476957
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  H      -4.025007     -2.828728     10.091050
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  H      -4.717971     -2.928380      7.693432
  H      -4.461681     -5.382285      8.213895
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  H      -1.566325     -6.199831      8.823598
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  H      -0.043644     -6.374129      5.764095
  H      -0.881618     -3.892951      4.371604
  H       0.397964     -5.002990      3.908820
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  H      -3.792433     -4.354142      5.878726
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146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.798642287904
  N      -3.373303     -3.629138      2.193039
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  C      -2.995005     -5.735307      1.041521
  N      -3.712099     -6.353543      2.195784
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  N      -5.880100     -5.504605      3.669600
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  C      -2.927279     -7.450891      2.838420
  H      -1.533901     -7.724900      4.436293
  H      -1.021071     -6.502914      3.260014
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  H      -2.453326     -8.078081      2.060550
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  H      -1.923944     -5.737683      1.288257
  H      -3.152049     -6.333466      0.124558
  C      -4.252442      4.150041      0.203253
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  C      -5.472941      2.158772      1.217319
  C      -5.562704      0.638846      1.356170
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  C      -4.358668     -1.423257      1.684714
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  H      -3.411064      4.466383     -0.430767
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  H      -5.712514      0.199698      0.355695
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  H      -3.471635     -2.356134      4.228110
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  H      -5.220547     -1.909948      2.196513
  H      -4.491018     -1.588045      0.602744
  H      -8.504599     -0.041578      8.393663
  H      -6.938267      0.242261      7.606778
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  H      -9.643392      1.264570      6.526432
  H      -8.090380      1.432131      5.712475
  H      -9.502411     -0.384992      4.750446
  H      -9.511322     -1.237251      6.299989
  H      -6.980367     -0.580867      4.691714
  H      -7.044129     -1.519978      6.203765
  H      -9.334382     -2.023102      3.212237
  H      -7.723809     -1.428844      2.743296
  H      -8.769333     -3.527164      1.481733
  H      -7.048944     -3.543656      1.887418
  H      -8.265056     -5.689689      2.556914
  H      -9.204816     -4.739473      3.701916
  H      -8.441145     -4.899514      5.878062
  H      -5.594381     -5.795504      6.198288
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  H      -8.484129     -8.545182      6.941153
  H      -9.243471     -6.969300      4.899424
  H      -7.604328     -7.644040      4.819291
  H      -6.280170     -3.431168      5.643109
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  H      -3.460100      0.058305      7.750643
  H      -3.984406      1.217505      8.984543
  H      -2.422151      0.385226      9.152074
  H      -5.201228     -0.950540      9.309015
  H      -4.166919     -0.592369     10.686733
  H      -2.392690     -2.145799      9.715954
  H      -3.900372     -2.928498     10.206596
  H      -3.235233     -2.066470      7.334571
  H      -4.688745     -2.947154      7.832627
  H      -4.434043     -5.418443      8.256708
  H      -3.428843     -4.912135      9.635828
  H      -1.531204     -6.247254      8.821601
  H      -2.972493     -7.264456      8.905920
  H      -3.399059     -7.096981      6.539854
  H      -1.707633     -7.584904      6.727049
  H      -0.041242     -6.359284      5.769500
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  H       1.014787     -2.486045      4.775598
  H      -0.296345     -2.623143      6.875526
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  H      -3.797829     -4.344008      5.936870
  H      -2.257015     -3.409319      5.947588
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.799524914431
  N      -3.353587     -3.633734      2.183709
  C      -3.429475     -4.306361      0.877889
  C      -2.968806     -5.746545      1.046442
  N      -3.698296     -6.357577      2.196690
  C      -5.059095     -6.831498      1.800085
  C      -5.978287     -6.802357      3.013503
  N      -5.868207     -5.491709      3.653490
  Mo     -3.964840     -4.832717      3.671161
  N      -2.546902     -5.851112      4.614594
  C      -1.905011     -6.901516      3.834952
  C      -2.926348     -7.458051      2.849485
  H      -1.553797     -7.740971      4.462867
  H      -1.013510     -6.528158      3.289488
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  H      -2.789766     -3.848600      0.103867
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  H      -1.900167     -5.749578      1.304326
  H      -3.117538     -6.348228      0.130347
  C      -4.304069      4.119808      0.143045
  C      -4.351796      2.600305      0.289003
  C      -5.509046      2.123550      1.166111
  C      -5.584989      0.603751      1.314235
  N      -4.384369      0.000582      1.896384
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  C      -3.027503     -0.265050      3.938709
  C      -2.797160     -1.736667      3.595129
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  C      -1.882248     -1.868866      1.187976
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  C       0.601904     -1.972892      1.170628
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  C      -1.245076     -0.463819      1.183968
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  C      -7.814760      0.596290      7.844497
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  C      -6.639220     -3.448064      4.663808
  C      -3.553855      0.288229      8.730742
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  N      -2.901371     -4.021738      7.808391
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  C      -2.581561     -6.392946      8.375949
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  C      -2.764702     -4.272527      6.382223
  H      -3.463125      4.440243     -0.489575
  H      -4.188573      4.606949      1.124104
  H      -5.230407      4.507087     -0.310083
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  H      -4.438455      2.131440     -0.707090
  H      -5.440256      2.603728      2.157563
  H      -6.466197      2.467188      0.736742
  H      -6.483780      0.333902      1.919446
  H      -5.728040      0.157418      0.316040
  H      -5.189171     -0.212387      3.844369
  H      -4.398118      1.345771      3.504716
  H      -3.078722     -0.152871      5.034663
  H      -2.191497      0.363130      3.601238
  H      -3.481888     -2.353986      4.211285
  H      -1.778706     -2.044873      3.877404
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  H      -0.712850     -3.634413      0.616551
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  H       1.034879     -1.714265      2.151197
  H       1.384639     -2.494366      0.600711
  H       0.791209      0.156648      0.588530
  H      -0.056198     -0.870350     -0.590003
  H      -1.040309     -0.125132      2.210124
  H      -1.886279      0.291767      0.712756
  H      -5.219385     -1.936708      2.172625
  H      -4.487405     -1.617549      0.578949
  H      -8.345196     -0.096528      8.516989
  H      -6.798373      0.202501      7.697668
  H      -7.719708      1.561006      8.364071
  H      -9.526392      1.249637      6.701162
  H      -7.991647      1.425577      5.854101
  H      -9.422604     -0.368281      4.887158
  H      -9.418796     -1.244518      6.422933
  H      -6.897855     -0.580704      4.801774
  H      -6.963000     -1.556372      6.290813
  H      -9.265713     -1.949758      3.287126
  H      -7.644523     -1.369428      2.836807
  H      -8.720037     -3.415823      1.519813
  H      -7.000960     -3.470519      1.929027
  H      -8.248952     -5.613893      2.535384
  H      -9.181700     -4.682701      3.703647
  H      -8.410784     -4.906054      5.887956
  H      -5.583428     -5.883178      6.161621
  H      -6.540870     -4.931606      7.300786
  H      -7.006066     -6.957113      8.460841
  H      -6.221699     -7.873974      7.175213
  H      -9.147150     -6.976773      7.334125
  H      -8.538328     -8.573537      6.854873
  H      -9.268418     -6.927878      4.858007
  H      -7.647330     -7.640973      4.750347
  H      -6.242224     -3.471136      5.687547
  H      -5.785898     -3.124424      4.010087
  H      -3.548385      0.067385      7.652777
  H      -4.079821      1.244681      8.866714
  H      -2.507616      0.433124      9.042656
  H      -5.271364     -0.929961      9.237867
  H      -4.235856     -0.533769     10.604532
  H      -2.450579     -2.088705      9.668631
  H      -3.954773     -2.878358     10.160276
  H      -3.266253     -2.055261      7.282762
  H      -4.728209     -2.923943      7.777700
  H      -4.491715     -5.395762      8.204368
  H      -3.520347     -4.881665      9.606469
  H      -1.603054     -6.222471      8.847561
  H      -3.046122     -7.238680      8.907971
  H      -3.419220     -7.095836      6.534570
  H      -1.730430     -7.575451      6.760453
  H      -0.053474     -6.360385      5.788356
  H      -0.911709     -3.886982      4.400285
  H       0.377751     -4.982377      3.933748
  H       2.000108     -3.850870      5.328545
  H       0.999996     -2.473814      4.828272
  H      -0.329247     -2.632488      6.916807
  H       1.330709     -2.881943      7.487210
  H       1.069828     -5.294432      7.476645
  H      -0.506600     -4.747979      8.086004
  H      -3.801136     -4.330376      5.897556
  H      -2.253956     -3.407028      5.939380
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.800204760511
  N      -3.337176     -3.639358      2.188671
  C      -3.405291     -4.311988      0.882491
  C      -2.960113     -5.756714      1.056785
  N      -3.704186     -6.360902      2.200622
  C      -5.064623     -6.821485      1.791787
  C      -5.993169     -6.787391      2.997258
  N      -5.874473     -5.480072      3.641237
  Mo     -3.966942     -4.834119      3.672681
  N      -2.565361     -5.865418      4.625015
  C      -1.928672     -6.923180      3.851176
  C      -2.948895     -7.469444      2.858826
  H      -1.593035     -7.766526      4.482148
  H      -1.028294     -6.561926      3.312915
  H      -3.688196     -8.072560      3.403166
  H      -2.473103     -8.107366      2.091251
  H      -7.013274     -7.009299      2.636881
  H      -5.736831     -7.614318      3.690174
  H      -5.435738     -6.119412      1.032381
  H      -4.997638     -7.827547      1.338709
  H      -2.752497     -3.860933      0.116107
  H      -4.429388     -4.283080      0.452739
  H      -1.893840     -5.769050      1.323770
  H      -3.105616     -6.356935      0.139454
  C      -4.303559      4.135295      0.203801
  C      -4.333303      2.613659      0.329709
  C      -5.503991      2.110236      1.173229
  C      -5.565178      0.587555      1.296192
  N      -4.370177     -0.010095      1.894145
  C      -4.333685      0.239762      3.332811
  C      -3.047928     -0.279897      3.956283
  C      -2.791768     -1.745314      3.603427
  C      -3.055989     -2.166223      2.148376
  C      -1.849107     -1.880341      1.202925
  C      -0.640884     -2.842405      1.394177
  C       0.635069     -1.995837      1.184544
  C       0.136528     -0.716350      0.498725
  C      -1.204977     -0.478788      1.196384
  C      -4.333411     -1.452450      1.648051
  C      -7.840770      0.559289      7.910642
  C      -8.596743      0.717224      6.590057
  C      -8.848572     -0.601370      5.849912
  C      -7.556199     -1.311228      5.445227
  N      -7.774518     -2.522800      4.664836
  C      -8.214571     -2.223332      3.293768
  C      -8.017786     -3.435032      2.381066
  C      -8.212921     -4.715331      3.182245
  C      -7.079624     -4.875727      4.231717
  C      -7.640425     -5.608877      5.485310
  C      -6.605452     -5.825901      6.612084
  C      -7.000681     -7.134428      7.338449
  C      -8.357375     -7.537091      6.729919
  C      -8.283864     -6.996303      5.297673
  C      -6.655811     -3.451186      4.690810
  C      -3.556732      0.341759      8.586044
  C      -4.164915     -0.750000      9.468160
  C      -3.462112     -2.108832      9.358601
  C      -3.628888     -2.739334      7.978959
  N      -2.895844     -3.988598      7.785205
  C      -3.456339     -5.109862      8.542949
  C      -2.585703     -6.349429      8.392551
  C      -2.447195     -6.723138      6.917891
  C      -2.040352     -5.562731      5.970534
  C      -0.489299     -5.353947      5.935958
  C      -0.040506     -4.429330      4.771597
  C       0.975003     -3.433937      5.348219
  C       0.544053     -3.288442      6.810026
  C       0.154959     -4.718854      7.206091
  C      -2.771458     -4.264806      6.363392
  H      -3.452526      4.475359     -0.404163
  H      -4.218572      4.611314      1.193140
  H      -5.223979      4.515333     -0.266633
  H      -3.393015      2.251474      0.773991
  H      -4.389902      2.156196     -0.673567
  H      -5.463395      2.575863      2.172907
  H      -6.455189      2.449109      0.727474
  H      -6.473093      0.297815      1.877658
  H      -5.681345      0.156126      0.288218
  H      -5.208280     -0.248021      3.824031
  H      -4.426955      1.320537      3.512677
  H      -3.118155     -0.180219      5.052371
  H      -2.214570      0.361961      3.640368
  H      -3.468613     -2.378672      4.211260
  H      -1.769638     -2.035979      3.891304
  H      -2.227413     -2.020266      0.175046
  H      -0.689382     -3.662174      0.662079
  H      -0.665797     -3.314048      2.383284
  H       1.077373     -1.733934      2.159647
  H       1.409620     -2.525618      0.611650
  H       0.833097      0.129821      0.594236
  H      -0.022279     -0.896476     -0.578453
  H      -0.996037     -0.141115      2.221608
  H      -1.842966      0.279312      0.725504
  H      -5.197488     -1.954106      2.142772
  H      -4.441288     -1.618620      0.563990
  H      -8.358177     -0.145752      8.580281
  H      -6.820794      0.179489      7.753965
  H      -7.754247      1.520112      8.438382
  H      -9.565620      1.205572      6.782434
  H      -8.037280      1.400740      5.927851
  H      -9.451828     -0.396520      4.951710
  H      -9.444206     -1.282476      6.481317
  H      -6.919723     -0.591346      4.878185
  H      -6.995364     -1.591772      6.349611
  H      -9.279685     -1.941990      3.322342
  H      -7.659376     -1.347600      2.891051
  H      -8.717067     -3.375324      1.534005
  H      -7.000280     -3.432096      1.954696
  H      -8.242459     -5.589411      2.517737
  H      -9.188099     -4.680667      3.694691
  H      -8.435034     -4.940808      5.866488
  H      -5.601966     -5.902587      6.166540
  H      -6.580185     -4.972539      7.304196
  H      -7.052264     -7.014420      8.430154
  H      -6.243681     -7.909634      7.144936
  H      -9.174994     -7.033189      7.272156
  H      -8.548962     -8.619145      6.779998
  H      -9.261836     -6.952041      4.796665
  H      -7.634349     -7.652773      4.700897
  H      -6.268838     -3.490805      5.717435
  H      -5.797935     -3.109968      4.050027
  H      -3.605294      0.084344      7.517259
  H      -4.084252      1.297745      8.716859
  H      -2.497277      0.505461      8.837354
  H      -5.233022     -0.873780      9.218904
  H      -4.136501     -0.419970     10.518894
  H      -2.385316     -1.992851      9.569229
  H      -3.865939     -2.780428     10.131838
  H      -3.262903     -2.036264      7.214897
  H      -4.716710     -2.881440      7.771234
  H      -4.490986     -5.346224      8.206452
  H      -3.515371     -4.813816      9.599301
  H      -1.605567     -6.174604      8.859142
  H      -3.052416     -7.184199      8.939493
  H      -3.429668     -7.080152      6.565450
  H      -1.741936     -7.560487      6.794647
  H      -0.060528     -6.358565      5.790934
  H      -0.920335     -3.896825      4.383563
  H       0.366678     -4.998134      3.923926
  H       1.993839     -3.853946      5.305101
  H       0.990627     -2.481357      4.796696
  H      -0.332891     -2.623385      6.886826
  H       1.327883     -2.867066      7.456763
  H       1.065786     -5.280975      7.468589
  H      -0.508720     -4.727181      8.074990
  H      -3.809163     -4.333472      5.885938
  H      -2.266103     -3.406587      5.902380
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.800910917216
  N      -3.325435     -3.635128      2.187878
  C      -3.387167     -4.309149      0.882111
  C      -2.951011     -5.755951      1.060114
  N      -3.705760     -6.356014      2.198498
  C      -5.065542     -6.809057      1.781825
  C      -5.999717     -6.772418      2.982900
  N      -5.878534     -5.466443      3.629836
  Mo     -3.969009     -4.827042      3.669823
  N      -2.577708     -5.865948      4.630279
  C      -1.942541     -6.925927      3.858126
  C      -2.960174     -7.468086      2.860442
  H      -1.613596     -7.771344      4.490095
  H      -1.037995     -6.568868      3.324846
  H      -3.704089     -8.067909      3.401681
  H      -2.483249     -8.108487      2.095789
  H      -7.018354     -6.990813      2.616625
  H      -5.748980     -7.600445      3.676198
  H      -5.430129     -6.103783      1.022273
  H      -5.002496     -7.814421      1.326804
  H      -2.726670     -3.861944      0.120556
  H      -4.407758     -4.275599      0.444399
  H      -1.886547     -5.773156      1.333803
  H      -3.092799     -6.354665      0.141340
  C      -4.299419      4.110721      0.106894
  C      -4.323293      2.590869      0.254265
  C      -5.505508      2.093478      1.085162
  C      -5.562793      0.571953      1.225090
  N      -4.374758     -0.013797      1.847126
  C      -4.355891      0.255666      3.282442
  C      -3.075923     -0.254230      3.925947
  C      -2.811357     -1.724207      3.596897
  C      -3.055223     -2.159981      2.143231
  C      -1.838514     -1.862404      1.214005
  C      -0.621542     -2.809062      1.424085
  C       0.647076     -1.950544      1.215178
  C       0.138715     -0.673444      0.531297
  C      -1.211216     -0.453632      1.218529
  C      -4.331406     -1.459085      1.622976
  C      -7.796633      0.568550      7.935740
  C      -8.569523      0.721010      6.624171
  C      -8.830990     -0.600416      5.892592
  C      -7.544230     -1.318041      5.482681
  N      -7.773869     -2.522825      4.694895
  C      -8.218661     -2.212002      3.327429
  C      -8.029803     -3.417712      2.404474
  C      -8.222683     -4.703814      3.197056
  C      -7.081043     -4.872899      4.236623
  C      -7.633151     -5.620715      5.485489
  C      -6.584877     -5.881291      6.591811
  C      -6.998379     -7.194230      7.299883
  C      -8.375329     -7.552064      6.709660
  C      -8.312925     -6.989193      5.285483
  C      -6.657305     -3.453146      4.709700
  C      -3.570578      0.324796      8.614300
  C      -4.125259     -0.770490      9.526697
  C      -3.415544     -2.122128      9.386172
  C      -3.621940     -2.748056      8.009532
  N      -2.903015     -4.002129      7.799265
  C      -3.469267     -5.124015      8.549751
  C      -2.600272     -6.364332      8.395603
  C      -2.455784     -6.730445      6.919376
  C      -2.052407     -5.565020      5.975588
  C      -0.500689     -5.350697      5.939181
  C      -0.056960     -4.418004      4.778872
  C       0.957626     -3.423081      5.359074
  C       0.530060     -3.287770      6.822848
  C       0.145720     -4.721802      7.211220
  C      -2.788921     -4.271912      6.375601
  H      -3.439895      4.446493     -0.491217
  H      -4.234004      4.601164      1.090547
  H      -5.213591      4.478591     -0.384662
  H      -3.388894      2.240596      0.719811
  H      -4.360604      2.118640     -0.742899
  H      -5.482492      2.571386      2.079416
  H      -6.450603      2.422997      0.620002
  H      -6.478245      0.284969      1.795756
  H      -5.661629      0.129156      0.220250
  H      -5.236651     -0.225325      3.769121
  H      -4.450854      1.338625      3.446664
  H      -3.155475     -0.138177      5.019710
  H      -2.241183      0.384582      3.606959
  H      -3.493309     -2.354057      4.202563
  H      -1.791677     -2.006111      3.902738
  H      -2.199676     -2.006395      0.180484
  H      -0.655855     -3.639156      0.703355
  H      -0.648469     -3.266546      2.419611
  H       1.087131     -1.687305      2.190687
  H       1.425711     -2.472446      0.640904
  H       0.825266      0.179642      0.636245
  H      -0.009700     -0.849765     -0.547849
  H      -1.015252     -0.118262      2.247502
  H      -1.853796      0.298412      0.744114
  H      -5.196342     -1.957133      2.119604
  H      -4.431090     -1.642476      0.540996
  H      -8.303720     -0.135560      8.614060
  H      -6.778121      0.190806      7.766703
  H      -7.705616      1.531122      8.459325
  H      -9.535726      1.210373      6.826386
  H      -8.017460      1.400884      5.952272
  H      -9.439173     -0.397632      4.997311
  H      -9.424970     -1.276130      6.531093
  H      -6.900654     -0.600638      4.920348
  H      -6.987123     -1.608694      6.386035
  H      -9.282459     -1.927109      3.362448
  H      -7.662233     -1.335416      2.928973
  H      -8.733636     -3.349427      1.561874
  H      -7.014607     -3.414491      1.973124
  H      -8.254809     -5.572794      2.526460
  H      -9.194416     -4.672073      3.715595
  H      -8.406538     -4.942746      5.891925
  H      -5.589396     -5.971186      6.130885
  H      -6.531477     -5.042415      7.299279
  H      -7.026570     -7.094542      8.394350
  H      -6.265534     -7.983818      7.075837
  H      -9.170126     -7.036963      7.274650
  H      -8.593457     -8.629567      6.744759
  H      -9.298578     -6.912649      4.803941
  H      -7.690981     -7.651643      4.666561
  H      -6.269308     -3.503170      5.735098
  H      -5.800522     -3.104731      4.070507
  H      -3.673076      0.066416      7.549729
  H      -4.097127      1.277012      8.772315
  H      -2.500592      0.495231      8.809924
  H      -5.202614     -0.904975      9.328573
  H      -4.049205     -0.438179     10.574279
  H      -2.333355     -1.998436      9.560724
  H      -3.788033     -2.800857     10.169025
  H      -3.266385     -2.046871      7.239372
  H      -4.715131     -2.880309      7.826307
  H      -4.503355     -5.354586      8.206949
  H      -3.531720     -4.833693      9.607592
  H      -1.621888     -6.192259      8.866837
  H      -3.069879     -7.201587      8.936094
  H      -3.435236     -7.091126      6.563005
  H      -1.746054     -7.563651      6.794907
  H      -0.069110     -6.353008      5.787006
  H      -0.939040     -3.884674      4.395810
  H       0.349612     -4.980011      3.926722
  H       1.977607     -3.839130      5.310439
  H       0.968290     -2.466744      4.814346
  H      -0.348583     -2.625599      6.905662
  H       1.314623     -2.868168      7.469760
  H       1.058433     -5.283313      7.468069
  H      -0.515624     -4.736920      8.081559
  H      -3.828921     -4.344694      5.905273
  H      -2.291773     -3.409510      5.915094
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.801571939173
  N      -3.320370     -3.632968      2.191168
  C      -3.368909     -4.307018      0.884814
  C      -2.933634     -5.753261      1.066527
  N      -3.698650     -6.353655      2.198433
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  H      -1.627296     -7.771329      4.508359
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  H      -2.700591     -3.858863      0.130091
  H      -4.384795     -4.273873      0.436354
  H      -1.871191     -5.770034      1.348671
  H      -3.067147     -6.351249      0.145934
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  C      -4.330178      2.565532      0.190411
  C      -5.518798      2.075460      1.016711
  C      -5.572693      0.555523      1.175784
  N      -4.388881     -0.019054      1.816049
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  C      -3.103371     -0.233602      3.905012
  C      -2.829933     -1.706386      3.594169
  C      -3.061965     -2.156029      2.143032
  C      -1.841617     -1.853149      1.220912
  C      -0.619694     -2.790093      1.443437
  C       0.644863     -1.927188      1.223329
  C       0.128554     -0.651534      0.541615
  C      -1.223918     -0.440082      1.226739
  C      -4.339564     -1.466812      1.611242
  C      -7.741979      0.510880      8.010492
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  C      -8.778859     -0.599606      5.936129
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  N      -7.751311     -2.527474      4.720708
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  C      -8.002125     -3.382375      2.413999
  C      -8.220182     -4.678555      3.184848
  C      -7.085161     -4.878084      4.227140
  C      -7.653000     -5.641958      5.459510
  C      -6.623789     -5.912333      6.581850
  C      -7.043273     -7.238737      7.262153
  C      -8.413610     -7.587813      6.651555
  C      -8.333464     -7.007017      5.235536
  C      -6.648135     -3.473528      4.728455
  C      -3.571443      0.344029      8.636943
  C      -4.093268     -0.756028      9.563278
  C      -3.380614     -2.104168      9.401823
  C      -3.611915     -2.729110      8.028061
  N      -2.905977     -3.989600      7.811206
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  C      -2.067458     -5.560502      5.987976
  C      -0.517040     -5.348239      5.946651
  C      -0.079911     -4.415211      4.784162
  C       0.936296     -3.418897      5.360139
  C       0.514840     -3.284980      6.826066
  C       0.134149     -4.719743      7.216376
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  H      -3.447742      4.413484     -0.575737
  H      -4.259560      4.589668      0.995128
  H      -5.223006      4.438237     -0.488399
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  H      -4.354763      2.076812     -0.799317
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  H      -6.460554      2.395811      0.538264
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  H      -5.659728      0.100160      0.175272
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  H      -3.187550     -0.105049      4.996970
  H      -2.268891      0.404034      3.581874
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  H       0.810236      0.205314      0.648919
  H      -0.017812     -0.826079     -0.538229
  H      -1.032407     -0.103385      2.256746
  H      -1.870003      0.307282      0.749256
  H      -5.202703     -1.962030      2.113741
  H      -4.436919     -1.665700      0.531647
  H      -8.272195     -0.193037      8.671391
  H      -6.730282      0.113259      7.845626
  H      -7.635298      1.462501      8.551240
  H      -9.454449      1.209775      6.893400
  H      -7.921954      1.381557      6.039332
  H      -9.370458     -0.367239      5.036646
  H      -9.396912     -1.272172      6.555067
  H      -6.834518     -0.630202      4.989711
  H      -6.966456     -1.659588      6.436812
  H      -9.235997     -1.882243      3.383729
  H      -7.600020     -1.314880      2.975228
  H      -8.698510     -3.289114      1.567457
  H      -6.983919     -3.389986      1.989772
  H      -8.259284     -5.536832      2.501045
  H      -9.194021     -4.640794      3.698734
  H      -8.432693     -4.967570      5.860340
  H      -5.617238     -5.987210      6.142342
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  H      -7.082961     -7.158074      8.357949
  H      -6.309702     -8.025996      7.030085
  H      -9.215010     -7.079508      7.213599
  H      -8.632865     -8.665650      6.669636
  H      -9.314413     -6.922045      4.745873
  H      -7.707902     -7.664404      4.615178
  H      -6.268524     -3.545492      5.755639
  H      -5.783335     -3.125007      4.100409
  H      -3.709457      0.089523      7.575685
  H      -4.094197      1.294672      8.816344
  H      -2.495382      0.515089      8.796691
  H      -5.175188     -0.896275      9.395194
  H      -3.989403     -0.424769     10.608924
  H      -2.295243     -1.976149      9.552305
  H      -3.731744     -2.787319     10.191196
  H      -3.258407     -2.031540      7.253930
  H      -4.708261     -2.850945      7.856775
  H      -4.513974     -5.330287      8.215660
  H      -3.545340     -4.814150      9.619899
  H      -1.637530     -6.179672      8.884940
  H      -3.088901     -7.185102      8.954583
  H      -3.446825     -7.086804      6.579951
  H      -1.756734     -7.554932      6.817181
  H      -0.086776     -6.350982      5.792093
  H      -0.964658     -3.882109      4.405546
  H       0.322896     -4.975982      3.929039
  H       1.956855     -3.833072      5.306403
  H       0.942147     -2.461596      4.816624
  H      -0.365534     -2.625347      6.911675
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  H       1.047922     -5.281039      7.470090
  H      -0.524556     -4.735506      8.089242
  H      -3.843430     -4.336610      5.921919
  H      -2.304603     -3.403632      5.921915
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.802187640652
  N      -3.311177     -3.632550      2.188441
  C      -3.349665     -4.309755      0.883466
  C      -2.919843     -5.756629      1.072847
  N      -3.694938     -6.351165      2.201363
  C      -5.052195     -6.795218      1.766281
  C      -6.003139     -6.759633      2.954737
  N      -5.881192     -5.459228      3.613532
  Mo     -3.973205     -4.820667      3.666263
  N      -2.598216     -5.862837      4.647131
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  C      -2.963860     -7.466907      2.874196
  H      -1.647602     -7.775494      4.527790
  H      -1.040481     -6.582143      3.369756
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  H      -2.479416     -8.109612      2.116307
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  H      -4.990250     -7.798686      1.306778
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  H      -4.361301     -4.274781      0.425726
  H      -1.859382     -5.776178      1.362483
  H      -3.048621     -6.357222      0.153240
  C      -4.350627      4.077431     -0.013608
  C      -4.348544      2.560260      0.161686
  C      -5.542799      2.054174      0.970039
  C      -5.579348      0.533494      1.126252
  N      -4.398658     -0.027183      1.784640
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  C      -7.654132     -5.654376      5.452261
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  N      -2.914159     -3.980876      7.814049
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  C      -2.077066     -5.554925      5.994542
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  H      -3.481912      4.419700     -0.594851
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  H      -4.350043      2.068549     -0.826890
  H      -5.550918      2.544462      1.958497
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  H      -5.642972      0.079089      0.123488
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  H      -2.170049     -2.020806      0.184262
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  H      -4.421896     -1.681101      0.508888
  H      -8.279559     -0.204714      8.708676
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  H      -7.595653      1.433622      8.612049
  H      -9.387847      1.238037      6.916352
  H      -7.833942      1.376942      6.095394
  H      -9.307497     -0.326916      5.051676
  H      -9.383635     -1.243225      6.561597
  H      -6.778184     -0.651611      5.048353
  H      -6.960564     -1.686781      6.485234
  H      -9.206187     -1.850760      3.413571
  H      -7.561900     -1.298277      3.017313
  H      -8.678303     -3.247659      1.586920
  H      -6.965845     -3.369670      2.012799
  H      -8.255792     -5.510555      2.499885
  H      -9.189598     -4.620875      3.703624
  H      -8.422634     -4.975773      5.867651
  H      -5.618213     -6.021946      6.129938
  H      -6.598674     -5.146191      7.309095
  H      -7.076191     -7.248200      8.312297
  H      -6.329173     -8.085633      6.949086
  H      -9.220636     -7.107585      7.191751
  H      -8.666202     -8.689347      6.607312
  H      -9.341441     -6.894277      4.729381
  H      -7.748629     -7.658563      4.565821
  H      -6.259841     -3.563268      5.778092
  H      -5.771925     -3.128951      4.126659
  H      -3.742053      0.104948      7.588240
  H      -4.090790      1.307286      8.841981
  H      -2.494035      0.525283      8.776194
  H      -5.157134     -0.888713      9.438808
  H      -3.946085     -0.414614     10.626553
  H      -2.272417     -1.962499      9.541268
  H      -3.697467     -2.778513     10.198001
  H      -3.249317     -2.018945      7.257999
  H      -4.705094     -2.823641      7.865730
  H      -4.533566     -5.311247      8.204125
  H      -3.575799     -4.801184      9.617887
  H      -1.667912     -6.175645      8.900270
  H      -3.124529     -7.174584      8.955930
  H      -3.458678     -7.079520      6.579602
  H      -1.770350     -7.547022      6.831029
  H      -0.099220     -6.349632      5.797931
  H      -0.971682     -3.877633      4.413279
  H       0.312682     -4.973731      3.934887
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  H       0.934554     -2.460574      4.825878
  H      -0.372472     -2.627295      6.918476
  H       1.294248     -2.863950      7.477511
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  H      -0.533365     -4.734418      8.095817
  H      -3.850407     -4.330424      5.923165
  H      -2.311808     -3.397768      5.924438
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.802762602809
  N      -3.299790     -3.635144      2.187013
  C      -3.324024     -4.316077      0.883430
  C      -2.901552     -5.763657      1.082597
  N      -3.691510     -6.351986      2.203980
  C      -5.047277     -6.788321      1.756445
  C      -6.009343     -6.753201      2.936716
  N      -5.886734     -5.457116      3.602974
  Mo     -3.979742     -4.819055      3.660800
  N      -2.615210     -5.862249      4.655752
  C      -1.974704     -6.936023      3.906550
  C      -2.973386     -7.470724      2.885629
  H      -1.677134     -7.781832      4.554270
  H      -1.048717     -6.597925      3.398041
  H      -3.735413     -8.061511      3.411171
  H      -2.485919     -8.117981      2.133610
  H      -7.022016     -6.953105      2.542493
  H      -5.786593     -7.593846      3.624354
  H      -5.389486     -6.073123      0.995851
  H      -4.985937     -7.790690      1.294534
  H      -2.635820     -3.877547      0.141188
  H      -4.329423     -4.278383      0.412657
  H      -1.844745     -5.786244      1.385071
  H      -3.021608     -6.367266      0.163794
  C      -4.378962      4.076403     -0.018218
  C      -4.360358      2.559046      0.153460
  C      -5.556053      2.036731      0.949343
  C      -5.576977      0.515335      1.098196
  N      -4.397830     -0.034995      1.768121
  C      -4.419406      0.261009      3.198448
  C      -3.147724     -0.223686      3.878977
  C      -2.847017     -1.694455      3.581694
  C      -3.050981     -2.155603      2.131138
  C      -1.818691     -1.852123      1.225893
  C      -0.592305     -2.770503      1.486715
  C       0.668146     -1.908680      1.233870
  C       0.142427     -0.642640      0.540911
  C      -1.213647     -0.433935      1.219192
  C      -4.326621     -1.483393      1.576615
  C      -7.716231      0.451746      8.121851
  C      -8.395833      0.702537      6.774493
  C      -8.710493     -0.571513      5.982916
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  N      -7.731299     -2.533646      4.781975
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  C      -7.086137     -4.878425      4.229904
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  C      -6.626790     -5.995903      6.545444
  C      -7.042182     -7.354621      7.157631
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  C      -6.637790     -3.491998      4.767357
  C      -3.568199      0.387016      8.603755
  C      -4.040782     -0.702936      9.567499
  C      -3.332367     -2.050225      9.386574
  C      -3.601077     -2.680994      8.021803
  N      -2.921390     -3.956170      7.809118
  C      -3.520177     -5.058782      8.562056
  C      -2.669286     -6.315208      8.430771
  C      -2.508282     -6.698616      6.959856
  C      -2.094155     -5.546957      6.002470
  C      -0.544391     -5.346419      5.961163
  C      -0.100153     -4.416707      4.799696
  C       0.927179     -3.431761      5.375704
  C       0.507756     -3.295898      6.842074
  C       0.112929     -4.726548      7.231777
  C      -2.822767     -4.244221      6.387962
  H      -3.509207      4.430501     -0.590635
  H      -4.364794      4.584010      0.958998
  H      -5.286172      4.407025     -0.547919
  H      -3.432274      2.246281      0.656958
  H      -4.347304      2.069657     -0.836163
  H      -5.577531      2.522280      1.939831
  H      -6.493673      2.337636      0.450802
  H      -6.507146      0.203732      1.631150
  H      -5.621393      0.065069      0.092565
  H      -5.310928     -0.217002      3.668286
  H      -4.526140      1.345962      3.341442
  H      -3.247076     -0.091375      4.969337
  H      -2.316929      0.422854      3.564314
  H      -3.533169     -2.326443      4.181697
  H      -1.830611     -1.950807      3.919434
  H      -2.150158     -2.022546      0.185917
  H      -0.614465     -3.647924      0.824099
  H      -0.614273     -3.160570      2.510452
  H       1.130316     -1.633755      2.195778
  H       1.434722     -2.435369      0.647773
  H       0.817795      0.219923      0.641822
  H      -0.000518     -0.827174     -0.537634
  H      -1.030086     -0.083962      2.245980
  H      -1.861922      0.302036      0.727550
  H      -5.189392     -1.985968      2.073040
  H      -4.407070     -1.692590      0.497633
  H      -8.315951     -0.228823      8.746662
  H      -6.722078     -0.000650      7.998500
  H      -7.581611      1.389121      8.680978
  H      -9.333957      1.256778      6.938279
  H      -7.755856      1.358972      6.159575
  H      -9.252013     -0.293004      5.065210
  H      -9.387061     -1.221916      6.563217
  H      -6.735058     -0.685586      5.112386
  H      -6.971962     -1.726274      6.536554
  H      -9.204945     -1.840211      3.457446
  H      -7.562390     -1.282921      3.063643
  H      -8.681860     -3.210478      1.608892
  H      -6.969500     -3.342912      2.031937
  H      -8.260034     -5.488894      2.490412
  H      -9.193303     -4.615635      3.705945
  H      -8.417798     -4.992423      5.869401
  H      -5.617376     -6.041108      6.108919
  H      -6.609987     -5.204386      7.307514
  H      -7.046867     -7.339203      8.256918
  H      -6.328153     -8.135526      6.853735
  H      -9.210740     -7.148925      7.172692
  H      -8.676928     -8.722083      6.547029
  H      -9.366063     -6.881731      4.717411
  H      -7.784306     -7.657485      4.512902
  H      -6.254453     -3.588449      5.791280
  H      -5.774239     -3.133681      4.141913
  H      -3.770036      0.125095      7.554470
  H      -4.073961      1.342146      8.806012
  H      -2.483482      0.552071      8.698521
  H      -5.128854     -0.848358      9.453729
  H      -3.886502     -0.360270     10.603158
  H      -2.242761     -1.921100      9.502183
  H      -3.655959     -2.732140     10.188528
  H      -3.244888     -1.995857      7.237184
  H      -4.701828     -2.783349      7.865002
  H      -4.552062     -5.272250      8.202226
  H      -3.596745     -4.760407      9.616887
  H      -1.695525     -6.152110      8.915171
  H      -3.159188     -7.140960      8.971121
  H      -3.483663     -7.060076      6.594098
  H      -1.798287     -7.534422      6.854657
  H      -0.122367     -6.352341      5.804637
  H      -0.978502     -3.871933      4.423218
  H       0.295052     -4.978463      3.941634
  H       1.943708     -3.855272      5.319577
  H       0.940288     -2.472778      4.835129
  H      -0.368918     -2.631254      6.926160
  H       1.296189     -2.879319      7.486167
  H       1.018637     -5.299071      7.488759
  H      -0.548809     -4.734255      8.102599
  H      -3.863086     -4.322302      5.923848
  H      -2.324663     -3.390576      5.911274
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.803290845668
  N      -3.291239     -3.633780      2.182959
  C      -3.303291     -4.320297      0.881946
  C      -2.886084     -5.767613      1.091355
  N      -3.687361     -6.349441      2.207798
  C      -5.041995     -6.779748      1.751000
  C      -6.013668     -6.742933      2.923415
  N      -5.889591     -5.451134      3.595767
  Mo     -3.983579     -4.812313      3.656448
  N      -2.625950     -5.855242      4.662674
  C      -1.986578     -6.936397      3.922996
  C      -2.979847     -7.469839      2.897234
  H      -1.698451     -7.780437      4.576952
  H      -1.055016     -6.605409      3.419541
  H      -3.749110     -8.055376      3.418311
  H      -2.489907     -8.121542      2.150585
  H      -7.024491     -6.933378      2.519503
  H      -5.803338     -7.588330      3.609522
  H      -5.375111     -6.062572      0.988382
  H      -4.980891     -7.782202      1.289196
  H      -2.606171     -3.886912      0.144857
  H      -4.303320     -4.281630      0.400199
  H      -1.832508     -5.791302      1.404834
  H      -2.998896     -6.375442      0.174374
  C      -4.398131      4.063102     -0.068749
  C      -4.368943      2.546613      0.108596
  C      -5.567091      2.017570      0.896469
  C      -5.576864      0.496880      1.050406
  N      -4.400159     -0.041704      1.734119
  C      -4.434405      0.263805      3.162157
  C      -3.168381     -0.213397      3.858678
  C      -2.858510     -1.684565      3.571693
  C      -3.046695     -2.153647      2.121428
  C      -1.808932     -1.851115      1.223832
  C      -0.580484     -2.760525      1.500285
  C       0.677901     -1.899906      1.229254
  C       0.146332     -0.638874      0.531217
  C      -1.209432     -0.430820      1.210221
  C      -4.320846     -1.490764      1.552935
  C      -7.681307      0.432823      8.175424
  C      -8.333691      0.706583      6.819631
  C      -8.664642     -0.555007      6.014917
  C      -7.426682     -1.377944      5.661131
  N      -7.712898     -2.531972      4.816480
  C      -8.137044     -2.137095      3.463448
  C      -7.983393     -3.298975      2.478089
  C      -8.217180     -4.620660      3.197832
  C      -7.084884     -4.874067      4.231032
  C      -7.659696     -5.679239      5.431026
  C      -6.622717     -6.038263      6.521340
  C      -7.040595     -7.410692      7.098809
  C      -8.447990     -7.670011      6.530566
  C      -8.403322     -7.001227      5.151464
  C      -6.626003     -3.498532      4.786947
  C      -3.610099      0.384972      8.621273
  C      -4.037620     -0.708098      9.602264
  C      -3.320101     -2.047331      9.400154
  C      -3.611730     -2.678519      8.040333
  N      -2.931897     -3.952513      7.820262
  C      -3.528563     -5.056997      8.572615
  C      -2.677054     -6.312382      8.437995
  C      -2.514998     -6.692807      6.966510
  C      -2.106023     -5.538129      6.010459
  C      -0.556880     -5.335012      5.970499
  C      -0.109807     -4.409657      4.807068
  C       0.914261     -3.421253      5.382647
  C       0.490123     -3.280349      6.847179
  C       0.097467     -4.710372      7.240340
  C      -2.839164     -4.239054      6.398285
  H      -3.526730      4.422011     -0.635631
  H      -4.395536      4.574468      0.906606
  H      -5.303751      4.384705     -0.606646
  H      -3.442387      2.242785      0.620292
  H      -4.344210      2.053939     -0.879196
  H      -5.600580      2.506118      1.885153
  H      -6.502717      2.309350      0.388964
  H      -6.510109      0.178821      1.574362
  H      -5.606971      0.042014      0.046311
  H      -5.329153     -0.212611      3.627212
  H      -4.544497      1.349450      3.297397
  H      -3.281259     -0.076407      4.947128
  H      -2.336672      0.435145      3.550852
  H      -3.548831     -2.315507      4.167811
  H      -1.844743     -1.936588      3.920028
  H      -2.131806     -2.030141      0.182620
  H      -0.600529     -3.652460      0.857323
  H      -0.599772     -3.129921      2.531947
  H       1.149973     -1.618694      2.184371
  H       1.438787     -2.430623      0.639342
  H       0.818881      0.226516      0.626488
  H       0.002055     -0.829455     -0.546033
  H      -1.026519     -0.075439      2.235072
  H      -1.860213      0.300854      0.715550
  H      -5.185360     -1.994091      2.046357
  H      -4.391897     -1.707402      0.474773
  H      -8.306160     -0.237401      8.786612
  H      -6.695996     -0.041527      8.064605
  H      -7.533688      1.363637      8.742189
  H      -9.261811      1.280482      6.972646
  H      -7.670553      1.352879      6.218723
  H      -9.185309     -0.257006      5.091505
  H      -9.365411     -1.193239      6.579964
  H      -6.682246     -0.707290      5.169617
  H      -6.957326     -1.751693      6.584018
  H      -9.191060     -1.819266      3.507432
  H      -7.550364     -1.259544      3.111746
  H      -8.678846     -3.161954      1.636950
  H      -6.965875     -3.306534      2.052549
  H      -8.262405     -5.454805      2.484714
  H      -9.190579     -4.595331      3.713264
  H      -8.403618     -4.995495      5.880668
  H      -5.614967     -6.074846      6.080088
  H      -6.601234     -5.267343      7.304520
  H      -7.020937     -7.431252      8.197877
  H      -6.343372     -8.189756      6.753663
  H      -9.204211     -7.170569      7.159080
  H      -8.707922     -8.738069      6.489244
  H      -9.399626     -6.844315      4.714086
  H      -7.837030     -7.642479      4.461064
  H      -6.241304     -3.612388      5.808926
  H      -5.760721     -3.136932      4.164810
  H      -3.847253      0.119780      7.580049
  H      -4.116922      1.335777      8.840778
  H      -2.524318      0.560396      8.677335
  H      -5.126892     -0.866489      9.525782
  H      -3.852650     -0.361666     10.631636
  H      -2.229419     -1.907490      9.491203
  H      -3.617119     -2.735048     10.207250
  H      -3.271762     -1.993023      7.248669
  H      -4.714710     -2.785970      7.902862
  H      -4.561072     -5.270044      8.213835
  H      -3.603787     -4.760761      9.628016
  H      -1.703619     -6.149737      8.923147
  H      -3.166245     -7.140142      8.975909
  H      -3.488801     -7.058400      6.600566
  H      -1.801406     -7.525330      6.860434
  H      -0.133414     -6.341014      5.818697
  H      -0.987104     -3.868628      4.423173
  H       0.290105     -4.975457      3.953811
  H       1.931241     -3.844514      5.331597
  H       0.929479     -2.464735      4.837903
  H      -0.388538     -2.617751      6.926242
  H       1.275522     -2.859556      7.492204
  H       1.004158     -5.280165      7.500053
  H      -0.565579     -4.717290      8.110124
  H      -3.880050     -4.323355      5.939060
  H      -2.347032     -3.383719      5.917961
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.803811077112
  N      -3.286543     -3.634880      2.181283
  C      -3.283529     -4.324814      0.881847
  C      -2.874521     -5.772859      1.099920
  N      -3.688734     -6.349812      2.209610
  C      -5.040951     -6.775797      1.741074
  C      -6.024908     -6.739839      2.903682
  N      -5.902846     -5.453302      3.583726
  Mo     -4.000253     -4.809426      3.649190
  N      -2.648450     -5.847433      4.670065
  C      -2.006300     -6.934320      3.940002
  C      -2.990498     -7.470444      2.907765
  H      -1.724836     -7.775046      4.600430
  H      -1.070019     -6.606811      3.442512
  H      -3.765978     -8.053307      3.422824
  H      -2.494538     -8.124994      2.167510
  H      -7.032661     -6.920930      2.487413
  H      -5.828328     -7.590239      3.588096
  H      -5.364292     -6.056290      0.976583
  H      -4.977889     -7.777827      1.278568
  H      -2.575156     -3.896244      0.152515
  H      -4.276590     -4.282902      0.386449
  H      -1.824640     -5.799162      1.425448
  H      -2.979591     -6.383302      0.183848
  C      -4.418434      4.056966     -0.085641
  C      -4.378404      2.540562      0.090115
  C      -5.582394      1.999848      0.861212
  C      -5.580245      0.479244      1.013193
  N      -4.408185     -0.049904      1.712446
  C      -4.455368      0.260436      3.139071
  C      -3.193553     -0.210251      3.848871
  C      -2.873315     -1.680592      3.568112
  C      -3.047898     -2.153893      2.117547
  C      -1.804563     -1.847316      1.230774
  C      -0.570995     -2.741321      1.527768
  C       0.682211     -1.876759      1.241953
  C       0.141143     -0.621957      0.538790
  C      -1.218363     -0.421770      1.212873
  C      -4.320397     -1.498803      1.536863
  C      -7.700701      0.405242      8.213111
  C      -8.284911      0.709510      6.833567
  C      -8.626088     -0.534531      6.006176
  C      -7.403482     -1.391022      5.682677
  N      -7.703314     -2.537092      4.831037
  C      -8.127865     -2.131496      3.480684
  C      -7.985488     -3.286319      2.486738
  C      -8.226468     -4.610735      3.197223
  C      -7.094172     -4.879433      4.225843
  C      -7.663501     -5.695428      5.421070
  C      -6.612996     -6.078876      6.491749
  C      -7.020154     -7.466510      7.037397
  C      -8.442323     -7.702553      6.498485
  C      -8.424444     -7.006173      5.132161
  C      -6.625774     -3.513653      4.797661
  C      -3.580860      0.403612      8.616418
  C      -3.959871     -0.678864      9.628550
  C      -3.254129     -2.019919      9.402059
  C      -3.595657     -2.655142      8.055753
  N      -2.934340     -3.937423      7.828224
  C      -3.541812     -5.034577      8.582347
  C      -2.703790     -6.298779      8.446994
  C      -2.545201     -6.681670      6.975766
  C      -2.129593     -5.529879      6.018835
  C      -0.579578     -5.334334      5.978695
  C      -0.129528     -4.404142      4.820582
  C       0.902559     -3.427011      5.400355
  C       0.480828     -3.291356      6.866157
  C       0.079759     -4.721093      7.251744
  C      -2.854519     -4.226854      6.405747
  H      -3.543066      4.424069     -0.641005
  H      -4.432455      4.567222      0.890177
  H      -5.319890      4.371503     -0.634539
  H      -3.455917      2.243820      0.613155
  H      -4.336691      2.049785     -0.898035
  H      -5.633573      2.486401      1.850050
  H      -6.513352      2.284019      0.341113
  H      -6.518455      0.151670      1.522020
  H      -5.591494      0.024458      0.008665
  H      -5.352595     -0.216766      3.599167
  H      -4.569442      1.346154      3.270068
  H      -3.318709     -0.071609      4.935776
  H      -2.361743      0.441750      3.548393
  H      -3.565053     -2.313940      4.160013
  H      -1.860638     -1.927824      3.922858
  H      -2.115001     -2.036570      0.187513
  H      -0.582405     -3.648608      0.906610
  H      -0.589526     -3.088530      2.567497
  H       1.161402     -1.588446      2.191263
  H       1.440404     -2.408000      0.649080
  H       0.806314      0.249222      0.632497
  H       0.000885     -0.817526     -0.537985
  H      -1.042832     -0.060094      2.236980
  H      -1.873529      0.302126      0.712552
  H      -5.186740     -2.004616      2.025225
  H      -4.381723     -1.719304      0.458908
  H      -8.375424     -0.243886      8.793195
  H      -6.730301     -0.105334      8.140380
  H      -7.541748      1.327047      8.791399
  H      -9.198362      1.314326      6.952183
  H      -7.576110      1.336457      6.265223
  H      -9.106414     -0.211043      5.069908
  H      -9.365050     -1.155556      6.541122
  H      -6.631086     -0.740548      5.207449
  H      -6.962738     -1.778830      6.613930
  H      -9.179981     -1.808090      3.529267
  H      -7.537735     -1.255657      3.131229
  H      -8.682820     -3.138586      1.649014
  H      -6.969652     -3.296432      2.057466
  H      -8.279449     -5.440726      2.479342
  H      -9.198436     -4.582571      3.715553
  H      -8.394510     -5.011462      5.890121
  H      -5.608104     -6.099505      6.042524
  H      -6.589104     -5.328288      7.294576
  H      -6.969543     -7.522541      8.134270
  H      -6.336269     -8.236902      6.648328
  H      -9.178282     -7.208294      7.154587
  H      -8.713159     -8.767276      6.442816
  H      -9.429428     -6.830046      4.723069
  H      -7.883400     -7.638165      4.413355
  H      -6.248746     -3.642669      5.820940
  H      -5.752022     -3.152547      4.184796
  H      -3.877805      0.131610      7.592356
  H      -4.068059      1.359828      8.856083
  H      -2.492592      0.572193      8.610949
  H      -5.051566     -0.836740      9.609879
  H      -3.722097     -0.323253     10.643884
  H      -2.160498     -1.882313      9.451830
  H      -3.521096     -2.705874     10.221063
  H      -3.273856     -1.978926      7.248920
  H      -4.703245     -2.754530      7.953474
  H      -4.577951     -5.235893      8.224460
  H      -3.612404     -4.737005      9.637702
  H      -1.728608     -6.145887      8.931721
  H      -3.200947     -7.121713      8.985016
  H      -3.521446     -7.042296      6.611110
  H      -1.836652     -7.518436      6.870787
  H      -0.160627     -6.341136      5.819950
  H      -1.003788     -3.855026      4.441327
  H       0.264728     -4.967569      3.963063
  H       1.915906     -3.858672      5.346187
  H       0.925828     -2.468053      4.860226
  H      -0.393974     -2.623810      6.949970
  H       1.269342     -2.878959      7.512775
  H       0.983067     -5.297985      7.507673
  H      -0.583146     -4.728865      8.121456
  H      -3.896000     -4.307483      5.953179
  H      -2.360069     -3.376379      5.918507
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.804367124032
  N      -3.281040     -3.636048      2.178115
  C      -3.260943     -4.330993      0.881281
  C      -2.860358     -5.779707      1.109753
  N      -3.689288     -6.350989      2.211747
  C      -5.038448     -6.770655      1.728023
  C      -6.037781     -6.734008      2.877414
  N      -5.915450     -5.453728      3.566157
  Mo     -4.016195     -4.805836      3.640977
  N      -2.672761     -5.839158      4.679191
  C      -2.028447     -6.933865      3.961136
  C      -3.003020     -7.472190      2.920848
  H      -1.757583     -7.771366      4.629662
  H      -1.085746     -6.613204      3.471197
  H      -3.786160     -8.050982      3.429035
  H      -2.500713     -8.131239      2.188870
  H      -7.041416     -6.901500      2.445110
  H      -5.860093     -7.590980      3.559008
  H      -5.348886     -6.047876      0.961301
  H      -4.974227     -7.772030      1.264305
  H      -2.540304     -3.908131      0.160557
  H      -4.246195     -4.286681      0.370855
  H      -1.814655     -5.808322      1.448375
  H      -2.956273     -6.393002      0.194727
  C      -4.418778      4.044406     -0.126710
  C      -4.374639      2.528661      0.053958
  C      -5.584027      1.985206      0.814792
  C      -5.576736      0.465303      0.972213
  N      -4.409683     -0.056471      1.685338
  C      -4.468368      0.261667      3.109497
  C      -3.211724     -0.203371      3.832999
  C      -2.885797     -1.674243      3.561615
  C      -3.046930     -2.154195      2.111448
  C      -1.798094     -1.843754      1.235033
  C      -0.561682     -2.727334      1.546514
  C       0.688491     -1.861538      1.248327
  C       0.141081     -0.608500      0.545650
  C      -1.220717     -0.414709      1.217247
  C      -4.317023     -1.505908      1.518552
  C      -7.652771      0.352809      8.283330
  C      -8.196249      0.694617      6.896057
  C      -8.558969     -0.525969      6.043181
  C      -7.355834     -1.407825      5.717726
  N      -7.680275     -2.541430      4.857509
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  C      -7.990801     -3.265372      2.507320
  C      -8.236032     -4.595833      3.204125
  C      -7.099158     -4.883192      4.221370
  C      -7.663472     -5.711629      5.411213
  C      -6.601898     -6.126183      6.461457
  C      -7.005938     -7.527713      6.971536
  C      -8.440805     -7.736543      6.458326
  C      -8.443843     -7.008512      5.108577
  C      -6.615439     -3.528909      4.809062
  C      -3.622856      0.422121      8.602145
  C      -3.944111     -0.654092      9.640698
  C      -3.231883     -1.988699      9.397239
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  N      -2.952434     -3.921534      7.836850
  C      -3.560967     -5.014799      8.594242
  C      -2.726867     -6.281569      8.459574
  C      -2.569569     -6.668507      6.988679
  C      -2.155301     -5.518342      6.028872
  C      -0.604428     -5.322086      5.988958
  C      -0.153359     -4.397971      4.826301
  C       0.878746     -3.418483      5.401870
  C       0.454595     -3.273808      6.866060
  C       0.054267     -4.701790      7.259300
  C      -2.881918     -4.216054      6.414449
  H      -3.539736      4.413015     -0.675212
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  H      -5.316299      4.353819     -0.684870
  H      -3.456060      2.236885      0.586583
  H      -4.321715      2.035551     -0.932471
  H      -5.647391      2.474447      1.801511
  H      -6.510622      2.263730      0.283983
  H      -6.519136      0.135620      1.471764
  H      -5.575565      0.005927     -0.030300
  H      -5.368108     -0.214465      3.566606
  H      -4.584870      1.347879      3.233828
  H      -3.349845     -0.059803      4.917779
  H      -2.377946      0.449156      3.538852
  H      -3.581902     -2.306700      4.149225
  H      -1.875133     -1.919125      3.923783
  H      -2.098346     -2.038016      0.189570
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  H      -0.579444     -3.057246      2.591955
  H       1.176496     -1.570929      2.192274
  H       1.441715     -2.393457      0.649852
  H       0.801832      0.265855      0.640466
  H       0.002982     -0.804178     -0.531306
  H      -1.049793     -0.051515      2.241958
  H      -1.879179      0.305219      0.715488
  H      -5.185317     -2.010914      2.004374
  H      -4.370858     -1.732723      0.441494
  H      -8.362094     -0.279924      8.839682
  H      -6.699032     -0.190037      8.224875
  H      -7.474876      1.261038      8.877361
  H      -9.092770      1.326238      7.003884
  H      -7.456445      1.306912      6.351692
  H      -9.018483     -0.173271      5.107183
  H      -9.321112     -1.135888      6.558143
  H      -6.568762     -0.771273      5.247675
  H      -6.923436     -1.812836      6.645599
  H      -9.166627     -1.793654      3.577674
  H      -7.526611     -1.244552      3.167272
  H      -8.694808     -3.103527      1.677767
  H      -6.979543     -3.276666      2.067642
  H      -8.300401     -5.418222      2.478010
  H      -9.204154     -4.566395      3.729837
  H      -8.380412     -5.027956      5.901006
  H      -5.600465     -6.135684      6.003982
  H      -6.569744     -5.398922      7.284982
  H      -6.928410     -7.621086      8.064350
  H      -6.337922     -8.289874      6.540706
  H      -9.156707     -7.248592      7.140928
  H      -8.725152     -8.796679      6.384696
  H      -9.455548     -6.811050      4.726515
  H      -7.927383     -7.628551      4.361861
  H      -6.240254     -3.676437      5.830237
  H      -5.735810     -3.167451      4.200971
  H      -3.964448      0.137272      7.595839
  H      -4.107411      1.376248      8.855181
  H      -2.537704      0.600983      8.545157
  H      -5.033680     -0.825113      9.671693
  H      -3.667110     -0.284966     10.641233
  H      -2.138886     -1.838695      9.408535
  H      -3.462188     -2.673618     10.228460
  H      -3.313313     -1.969773      7.244763
  H      -4.719729     -2.741094      7.998260
  H      -4.598581     -5.213250      8.237430
  H      -3.629391     -4.714540      9.649248
  H      -1.750836     -6.130591      8.943296
  H      -3.225612     -7.102260      8.999666
  H      -3.545455     -7.032027      6.626310
  H      -1.860051     -7.504649      6.886350
  H      -0.184355     -6.329267      5.836045
  H      -1.027345     -3.851858      4.442035
  H       0.241987     -4.966930      3.973000
  H       1.891284     -3.852727      5.352878
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  H       0.958422     -5.276345      7.517736
  H      -0.608487     -4.705802      8.128940
  H      -3.923541     -4.301354      5.968572
  H      -2.392707     -3.367024      5.919704
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.804912733538
  N      -3.274468     -3.638330      2.171193
  C      -3.238843     -4.341209      0.879262
  C      -2.846375     -5.790295      1.121071
  N      -3.689670     -6.352518      2.217021
  C      -5.035091     -6.766366      1.718858
  C      -6.049360     -6.727731      2.854894
  N      -5.925754     -5.451923      3.548956
  Mo     -4.030917     -4.798484      3.632209
  N      -2.694772     -5.823938      4.689516
  C      -2.049302     -6.927899      3.984608
  C      -3.016140     -7.472146      2.940038
  H      -1.786709     -7.760455      4.662438
  H      -1.101881     -6.614987      3.498982
  H      -3.806693     -8.043783      3.444878
  H      -2.509034     -8.139394      2.218894
  H      -7.048525     -6.882120      2.407092
  H      -5.889957     -7.589868      3.534390
  H      -5.332786     -6.040472      0.949998
  H      -4.970107     -7.767120      1.253980
  H      -2.506889     -3.925470      0.165776
  H      -4.217002     -4.296306      0.355298
  H      -1.804537     -5.821076      1.471151
  H      -2.934328     -6.408264      0.208599
  C      -4.424228      4.022481     -0.181939
  C      -4.378805      2.507910      0.008126
  C      -5.589431      1.967373      0.769066
  C      -5.579861      0.448552      0.937450
  N      -4.414425     -0.066319      1.657609
  C      -4.481599      0.257570      3.079147
  C      -3.226430     -0.197458      3.811735
  C      -2.892971     -1.667701      3.548353
  C      -3.044983     -2.155999      2.099331
  C      -1.793493     -1.842543      1.228459
  C      -0.552750     -2.714276      1.552137
  C       0.692588     -1.846881      1.238449
  C       0.136869     -0.597154      0.535095
  C      -1.225913     -0.409770      1.206559
  C      -4.314997     -1.516033      1.497898
  C      -7.626115      0.287705      8.367865
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  C      -8.237275     -4.568868      3.209168
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  C      -7.670250     -5.725069      5.396320
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  C      -8.455762     -7.770457      6.399604
  C      -8.465045     -7.008107      5.069572
  C      -6.599631     -3.542908      4.827203
  C      -3.661865      0.439664      8.607541
  C      -3.930827     -0.634008      9.663571
  C      -3.211786     -1.961448      9.402032
  C      -3.626595     -2.622700      8.089020
  N      -2.969668     -3.906400      7.851810
  C      -3.575446     -4.998963      8.610446
  C      -2.742923     -6.266260      8.472405
  C      -2.588483     -6.652559      7.000384
  C      -2.178177     -5.501307      6.040143
  C      -0.625834     -5.302815      6.001548
  C      -0.173676     -4.383553      4.835245
  C       0.860895     -3.404641      5.407392
  C       0.434708     -3.251006      6.869837
  C       0.032353     -4.676680      7.269637
  C      -2.909923     -4.202787      6.428850
  H      -3.544464      4.388398     -0.731033
  H      -4.451299      4.542019      0.788630
  H      -5.320804      4.327356     -0.744028
  H      -3.461320      2.220474      0.544904
  H      -4.322842      2.009306     -0.975295
  H      -5.657266      2.463051      1.752139
  H      -6.514655      2.240427      0.233068
  H      -6.523131      0.121690      1.437543
  H      -5.576069     -0.018979     -0.061266
  H      -5.379778     -0.222996      3.535572
  H      -4.605503      1.343469      3.198395
  H      -3.374988     -0.049213      4.894614
  H      -2.393383      0.457616      3.521238
  H      -3.589884     -2.300691      4.134434
  H      -1.882419     -1.907203      3.914411
  H      -2.086514     -2.044418      0.182136
  H      -0.555107     -3.644096      0.965295
  H      -0.567466     -3.025470      2.603071
  H       1.190040     -1.551729      2.175839
  H       1.440395     -2.380039      0.634474
  H       0.793062      0.280680      0.628472
  H      -0.000951     -0.794488     -0.541532
  H      -1.057405     -0.043402      2.230924
  H      -1.889799      0.304577      0.704072
  H      -5.182624     -2.021910      1.983413
  H      -4.364240     -1.748332      0.421784
  H      -8.382270     -0.320860      8.888101
  H      -6.695963     -0.296685      8.333738
  H      -7.429118      1.177546      8.983249
  H      -8.979809      1.340027      7.056824
  H      -7.323040      1.266969      6.462004
  H      -8.915464     -0.129049      5.144414
  H      -9.273243     -1.114298      6.568080
  H      -6.495265     -0.799377      5.298936
  H      -6.884080     -1.846260      6.683699
  H      -9.127982     -1.759990      3.619633
  H      -7.483075     -1.226175      3.207713
  H      -8.680324     -3.052802      1.703033
  H      -6.966406     -3.253384      2.082586
  H      -8.315576     -5.381451      2.473109
  H      -9.203376     -4.531308      3.738132
  H      -8.378374     -5.043499      5.901048
  H      -5.607247     -6.171504      5.975447
  H      -6.571218     -5.471683      7.279262
  H      -6.922382     -7.719932      7.989718
  H      -6.356894     -8.337868      6.436353
  H      -9.159168     -7.291783      7.101631
  H      -8.752098     -8.825391      6.302828
  H      -9.478944     -6.791827      4.703390
  H      -7.961862     -7.611798      4.301197
  H      -6.235471     -3.712772      5.848477
  H      -5.706093     -3.185063      4.231741
  H      -4.037656      0.144857      7.616765
  H      -4.147970      1.389510      8.873190
  H      -2.581928      0.631513      8.509082
  H      -5.016580     -0.817617      9.735813
  H      -3.622308     -0.255110     10.651217
  H      -2.121059     -1.798679      9.375731
  H      -3.406076     -2.646425     10.242804
  H      -3.358468     -1.961300      7.251962
  H      -4.736704     -2.731497      8.055922
  H      -4.614175     -5.197187      8.255368
  H      -3.641466     -4.698294      9.665966
  H      -1.765545     -6.116656      8.953939
  H      -3.240956     -7.086896      9.013344
  H      -3.563638     -7.019501      6.640586
  H      -1.876989     -7.486875      6.897515
  H      -0.203973     -6.309924      5.853703
  H      -1.047071     -3.837919      4.449055
  H       0.220369     -4.956614      3.984248
  H       1.871499     -3.843796      5.363544
  H       0.894611     -2.453385      4.854684
  H      -0.438958     -2.581132      6.944651
  H       1.222343     -2.832885      7.514003
  H       0.936661     -5.250102      7.530131
  H      -0.630221     -4.676146      8.139196
  H      -3.952312     -4.294396      5.992108
  H      -2.430199     -3.352022      5.928077
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.805396196764
  N      -3.268267     -3.639396      2.170953
  C      -3.214341     -4.346928      0.882588
  C      -2.830887     -5.796874      1.135106
  N      -3.691636     -6.352309      2.221102
  C      -5.032137     -6.758171      1.704599
  C      -6.062787     -6.721446      2.826334
  N      -5.938412     -5.451705      3.529815
  Mo     -4.047649     -4.793672      3.625773
  N      -2.721491     -5.815340      4.700794
  C      -2.075428     -6.927944      4.008043
  C      -3.033429     -7.472946      2.955882
  H      -1.825723     -7.758173      4.693489
  H      -1.120709     -6.624410      3.530636
  H      -3.832976     -8.037547      3.454695
  H      -2.521631     -8.147107      2.244475
  H      -7.056630     -6.861589      2.361796
  H      -5.921532     -7.591072      3.500118
  H      -5.316317     -6.026450      0.936160
  H      -4.965729     -7.756664      1.235002
  H      -2.469144     -3.936886      0.179455
  H      -4.183936     -4.300295      0.343028
  H      -1.793797     -5.831063      1.498799
  H      -2.908781     -6.417400      0.223494
  C      -4.428824      4.013349     -0.205068
  C      -4.379047      2.499174     -0.012614
  C      -5.592175      1.955147      0.741848
  C      -5.578010      0.436519      0.912797
  N      -4.416140     -0.072847      1.642708
  C      -4.494684      0.252735      3.063068
  C      -3.241809     -0.194778      3.804567
  C      -2.899747     -1.663611      3.545981
  C      -3.041194     -2.156700      2.097035
  C      -1.785441     -1.842546      1.232659
  C      -0.543488     -2.707524      1.567389
  C       0.700158     -1.843383      1.237067
  C       0.140390     -0.594143      0.534956
  C      -1.221676     -0.408454      1.208252
  C      -4.309515     -1.522532      1.486616
  C      -7.659866      0.241399      8.420949
  C      -8.056630      0.661829      7.005719
  C      -8.440995     -0.504149      6.088031
  C      -7.271349     -1.435673      5.780979
  N      -7.628140     -2.543211      4.899411
  C      -8.065600     -2.090124      3.568743
  C      -7.975053     -3.220899      2.541300
  C      -8.247833     -4.557068      3.216737
  C      -7.106683     -4.887621      4.214390
  C      -7.671960     -5.741088      5.386468
  C      -6.601842     -6.216051      6.403781
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  C      -8.458645     -7.801146      6.360560
  C      -8.485194     -7.010020      5.047902
  C      -6.594719     -3.557672      4.837606
  C      -3.664267      0.469475      8.621470
  C      -3.891359     -0.606154      9.685396
  C      -3.171710     -1.929096      9.403152
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  N      -2.971561     -3.884907      7.862302
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  C      -2.199388     -5.487767      6.049383
  C      -0.646587     -5.294836      6.004146
  C      -0.195573     -4.387552      4.828043
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  H      -3.547238      4.381548     -0.749823
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  H      -5.323300      4.314167     -0.772759
  H      -3.463684      2.215895      0.529991
  H      -4.315565      1.999531     -0.995090
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  H      -5.564723     -0.032368     -0.085225
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  H      -3.398843     -0.045312      4.886161
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  H       0.795765      0.284462      0.627047
  H       0.000789     -0.791329     -0.541494
  H      -1.052731     -0.041006      2.232263
  H      -1.888111      0.303591      0.705967
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  H      -8.466612     -0.334854      8.900369
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  H      -8.907526      1.359697      7.060740
  H      -7.228600      1.226033      6.542160
  H      -8.835318     -0.092890      5.145949
  H      -9.257122     -1.090662      6.543898
  H      -6.444717     -0.830345      5.338292
  H      -6.879999     -1.872785      6.712387
  H      -9.108359     -1.742822      3.647106
  H      -7.460522     -1.221478      3.229986
  H      -8.682636     -3.028039      1.721245
  H      -6.969151     -3.249253      2.091003
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  H      -8.365859     -5.059136      5.909998
  H      -5.605118     -6.204769      5.936101
  H      -6.554715     -5.536815      7.266222
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  H      -6.363406     -8.380956      6.337364
  H      -9.144092     -7.331216      7.086052
  H      -8.766911     -8.850936      6.246612
  H      -9.503738     -6.776723      4.705656
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  H      -6.235341     -3.740059      5.858598
  H      -5.693824     -3.202318      4.246894
  H      -4.071911      0.173419      7.643830
  H      -4.146584      1.416387      8.904133
  H      -2.589356      0.667699      8.486538
  H      -4.973098     -0.797203      9.791209
  H      -3.555632     -0.224293     10.663044
  H      -2.083432     -1.759090      9.343373
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  H      -3.375873     -1.942834      7.256251
  H      -4.731979     -2.706011      8.102575
  H      -4.618724     -5.167234      8.279949
  H      -3.635092     -4.668004      9.683422
  H      -1.770603     -6.099297      8.963440
  H      -3.251038     -7.061150      9.033648
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  H      -1.899226     -7.471455      6.912157
  H      -0.228736     -6.304624      5.863546
  H      -1.068453     -3.842927      4.439892
  H       0.194126     -4.968971      3.980674
  H       1.852759     -3.849486      5.346041
  H       0.878618     -2.460286      4.827434
  H      -0.450737     -2.568110      6.921745
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  H      -0.639043     -4.651838      8.137202
  H      -3.973237     -4.284308      6.015263
  H      -2.456129     -3.339274      5.927801
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.805864728459
  N      -3.263412     -3.640886      2.165251
  C      -3.197016     -4.356138      0.883173
  C      -2.822121     -5.806743      1.148839
  N      -3.698644     -6.352014      2.227065
  C      -5.033504     -6.751071      1.693450
  C      -6.079820     -6.713377      2.800981
  N      -5.951560     -5.447554      3.509403
  Mo     -4.066143     -4.783434      3.617981
  N      -2.750812     -5.798851      4.714604
  C      -2.105454     -6.921048      4.033565
  C      -3.056787     -7.470506      2.978038
  H      -1.864900     -7.747729      4.726744
  H      -1.145739     -6.627330      3.560454
  H      -3.865531     -8.023619      3.474922
  H      -2.542183     -8.156555      2.280041
  H      -7.068899     -6.839348      2.322102
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  H      -4.966090     -7.747945      1.220484
  H      -2.441540     -3.953660      0.187002
  H      -4.160334     -4.309722      0.332243
  H      -1.788777     -5.844960      1.522289
  H      -2.892993     -6.431369      0.239516
  C      -4.413492      4.002238     -0.231031
  C      -4.368177      2.488251     -0.036107
  C      -5.584105      1.949002      0.716766
  C      -5.574589      0.430458      0.892495
  N      -4.415973     -0.079154      1.627062
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  C      -1.224011     -0.408499      1.187618
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  C      -8.257797     -4.540026      3.235133
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  C      -6.583980     -3.572562      4.855856
  C      -3.696460      0.491953      8.639400
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  N      -2.977360     -3.863654      7.881126
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  C      -2.624528     -6.614216      7.032880
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  H      -3.529838      4.366986     -0.774710
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  H      -4.303609      1.986826     -1.017552
  H      -5.661527      2.449020      1.696951
  H      -6.505445      2.217958      0.171938
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  H      -5.560603     -0.040232     -0.104615
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  H      -4.639336      1.331858      3.162443
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  H      -3.593064     -2.296563      4.118271
  H      -1.886540     -1.885444      3.909280
  H      -2.065855     -2.060573      0.173975
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  H      -5.170965     -2.037719      1.961713
  H      -4.349811     -1.767545      0.399701
  H      -8.547103     -0.346696      8.914297
  H      -6.821274     -0.480574      8.521308
  H      -7.467688      1.048994      9.133767
  H      -8.817732      1.380767      7.078217
  H      -7.122170      1.179281      6.639937
  H      -8.744267     -0.052495      5.158239
  H      -9.224873     -1.065533      6.527090
  H      -6.381806     -0.857437      5.381160
  H      -6.864604     -1.894004      6.743418
  H      -9.067439     -1.710513      3.675734
  H      -7.412141     -1.217798      3.252587
  H      -8.676175     -2.999265      1.745432
  H      -6.964555     -3.254534      2.104081
  H      -8.371231     -5.341384      2.490678
  H      -9.212948     -4.478924      3.780802
  H      -8.352320     -5.081160      5.920879
  H      -5.600952     -6.239725      5.894035
  H      -6.527954     -5.601915      7.252806
  H      -6.867092     -7.887908      7.854123
  H      -6.359222     -8.422357      6.249921
  H      -9.127861     -7.384300      7.060172
  H      -8.767089     -8.884228      6.179313
  H      -9.513463     -6.773571      4.696821
  H      -8.016099     -7.588904      4.213916
  H      -6.233604     -3.767864      5.877637
  H      -5.671712     -3.224283      4.271099
  H      -4.101549      0.191074      7.662248
  H      -4.192829      1.430997      8.923761
  H      -2.625055      0.706596      8.501817
  H      -4.985107     -0.789578      9.811947
  H      -3.570828     -0.202171     10.679843
  H      -2.088371     -1.720893      9.345578
  H      -3.322419     -2.588696     10.266320
  H      -3.407452     -1.926821      7.270940
  H      -4.743210     -2.696441      8.140436
  H      -4.618381     -5.145853      8.324410
  H      -3.615563     -4.643645      9.712431
  H      -1.763631     -6.081750      8.970601
  H      -3.245503     -7.039542      9.058633
  H      -3.606877     -6.976533      6.689322
  H      -1.920213     -7.453877      6.923397
  H      -0.255156     -6.291752      5.868998
  H      -1.093655     -3.827327      4.446244
  H       0.154094     -4.964564      3.974227
  H       1.835630     -3.860129      5.327121
  H       0.872473     -2.463147      4.808393
  H      -0.445229     -2.549741      6.910316
  H       1.218707     -2.809005      7.468112
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  H      -0.642492     -4.625325      8.137931
  H      -4.000379     -4.280175      6.051106
  H      -2.495956     -3.323236      5.934441
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.806295036172
  N      -3.262459     -3.642118      2.163050
  C      -3.185229     -4.362280      0.884628
  C      -2.816125     -5.812737      1.159620
  N      -3.704464     -6.352540      2.230853
  C      -5.036139     -6.747371      1.685813
  C      -6.092211     -6.709565      2.784794
  N      -5.962103     -5.447647      3.499360
  Mo     -4.080141     -4.778978      3.612861
  N      -2.773493     -5.791259      4.724441
  C      -2.128959     -6.920064      4.051255
  C      -3.074102     -7.470680      2.992166
  H      -1.895182     -7.744692      4.749074
  H      -1.164967     -6.632567      3.582744
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  H      -2.557132     -8.163114      2.301989
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  H      -5.977090     -7.588557      3.450802
  H      -5.298270     -6.008813      0.916379
  H      -4.967051     -7.743757      1.211874
  H      -2.421764     -3.964624      0.194493
  H      -4.142488     -4.315846      0.323462
  H      -1.786373     -5.852749      1.542798
  H      -2.880014     -6.441023      0.252197
  C      -4.406857      4.002765     -0.235744
  C      -4.359418      2.488634     -0.042509
  C      -5.579827      1.945732      0.700260
  C      -5.568922      0.427067      0.874230
  N      -4.414408     -0.081030      1.616445
  C      -4.502127      0.249211      3.035807
  C      -3.251042     -0.192348      3.784056
  C      -2.900606     -1.660373      3.531253
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  C      -1.779214     -1.845043      1.219272
  C      -0.528215     -2.690886      1.567080
  C       0.705366     -1.831126      1.188154
  C       0.127454     -0.585326      0.493115
  C      -1.227442     -0.407026      1.181838
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  C      -7.739302      0.145389      8.521619
  C      -7.948642      0.634118      7.088204
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  N      -7.580619     -2.546542      4.933139
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  C      -7.114582     -4.897218      4.220261
  C      -7.666547     -5.778970      5.374730
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  C      -6.985462     -7.743824      6.729366
  C      -8.452423     -7.868825      6.286800
  C      -8.507342     -7.022428      5.009807
  C      -6.579710     -3.590150      4.872656
  C      -3.716769      0.508908      8.624021
  C      -3.893004     -0.561574      9.702414
  C      -3.153962     -1.871222      9.412463
  C      -3.626479     -2.558661      8.131914
  N      -2.971660     -3.842177      7.888686
  C      -3.559346     -4.922272      8.678581
  C      -2.749500     -6.202884      8.521820
  C      -2.641681     -6.598155      7.047801
  C      -2.239421     -5.458656      6.070514
  C      -0.687045     -5.273014      6.009876
  C      -0.241804     -4.376040      4.824034
  C       0.821120     -3.410226      5.365256
  C       0.417484     -3.225865      6.830007
  C      -0.000526     -4.638162      7.258148
  C      -2.967084     -4.162938      6.466843
  H      -3.519970      4.370582     -0.772139
  H      -4.450392      4.523634      0.733554
  H      -5.295745      4.303859     -0.812065
  H      -3.449643      2.205880      0.509693
  H      -4.285798      1.988286     -1.023966
  H      -5.665325      2.444554      1.680523
  H      -6.497920      2.213515      0.149338
  H      -6.520164      0.099779      1.357453
  H      -5.545706     -0.041581     -0.123731
  H      -5.399811     -0.238778      3.484762
  H      -4.637873      1.334360      3.149112
  H      -3.412511     -0.040681      4.864753
  H      -2.420084      0.467849      3.499464
  H      -3.601536     -2.294610      4.112484
  H      -1.893277     -1.886782      3.912556
  H      -2.058796     -2.067451      0.173069
  H      -0.533183     -3.653453      1.036445
  H      -0.523948     -2.934275      2.635759
  H       1.246437     -1.529297      2.098682
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  H       0.779341      0.296695      0.576924
  H      -0.024200     -0.782183     -0.581738
  H      -1.050513     -0.035285      2.202791
  H      -1.905089      0.297112      0.683706
  H      -5.169825     -2.039350      1.956397
  H      -4.346875     -1.772690      0.393658
  H      -8.644682     -0.352775      8.902051
  H      -6.910408     -0.572341      8.594938
  H      -7.506829      0.981481      9.197222
  H      -8.737397      1.403173      7.081936
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  H      -8.646500     -0.004084      5.151794
  H      -9.209994     -1.027560      6.480204
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  H      -6.867935     -1.914991      6.772298
  H      -9.038659     -1.691865      3.694124
  H      -7.378158     -1.222431      3.268829
  H      -8.671763     -2.982026      1.761690
  H      -6.962025     -3.261599      2.114930
  H      -8.392744     -5.330418      2.502130
  H      -9.216140     -4.461823      3.800064
  H      -8.336931     -5.101915      5.934898
  H      -5.595117     -6.274981      5.857871
  H      -6.506968     -5.660347      7.237886
  H      -6.841028     -7.958750      7.797951
  H      -6.363505     -8.463632      6.174076
  H      -9.111934     -7.424961      7.051709
  H      -8.775431     -8.909440      6.136019
  H      -9.532007     -6.764786      4.706577
  H      -8.050572     -7.583795      4.182540
  H      -6.236343     -3.794537      5.895311
  H      -5.660623     -3.246565      4.292312
  H      -4.140870      0.195021      7.658482
  H      -4.215264      1.446331      8.910478
  H      -2.650645      0.731497      8.460174
  H      -4.967565     -0.774000      9.834819
  H      -3.541702     -0.163791     10.668146
  H      -2.070806     -1.681344      9.325607
  H      -3.284940     -2.554782     10.266576
  H      -3.410189     -1.909984      7.268893
  H      -4.736286     -2.675782      8.156110
  H      -4.613891     -5.112962      8.364578
  H      -3.585784     -4.612652      9.733292
  H      -1.756152     -6.066230      8.973561
  H      -3.243129     -7.014017      9.080715
  H      -3.630788     -6.952678      6.714456
  H      -1.945678     -7.444111      6.933952
  H      -0.277717     -6.286382      5.870390
  H      -1.111794     -3.817209      4.450216
  H       0.124487     -4.963380      3.970192
  H       1.821885     -3.871095      5.315102
  H       0.866360     -2.467817      4.798192
  H      -0.445907     -2.543221      6.903306
  H       1.219176     -2.808135      7.457040
  H       0.899095     -5.221461      7.513132
  H      -0.649769     -4.612256      8.137440
  H      -4.017317     -4.275504      6.075207
  H      -2.519546     -3.315036      5.929216
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.806678533333
  N      -3.268141     -3.642130      2.153470
  C      -3.178762     -4.371428      0.881883
  C      -2.814284     -5.820535      1.171226
  N      -3.714925     -6.352981      2.235105
  C      -5.041887     -6.745221      1.677419
  C      -6.109436     -6.704493      2.765788
  N      -5.976846     -5.446164      3.485065
  Mo     -4.099607     -4.769652      3.604420
  N      -2.800414     -5.775544      4.734436
  C      -2.156868     -6.911910      4.070174
  C      -3.095797     -7.468079      3.009784
  H      -1.927484     -7.732715      4.773787
  H      -1.189793     -6.630779      3.604005
  H      -3.918164     -8.006365      3.500956
  H      -2.575961     -8.168806      2.329991
  H      -7.093123     -6.812512      2.271528
  H      -6.004651     -7.586493      3.429668
  H      -5.293972     -6.006378      0.905099
  H      -4.970524     -7.742310      1.205226
  H      -2.407200     -3.980392      0.197057
  H      -4.129287     -4.328167      0.309276
  H      -1.788634     -5.859520      1.565535
  H      -2.868788     -6.455011      0.267423
  C      -4.387734      4.003165     -0.254556
  C      -4.342210      2.488902     -0.061525
  C      -5.570474      1.946017      0.668028
  C      -5.562289      0.427243      0.842079
  N      -4.414005     -0.081163      1.593404
  C      -4.506151      0.254534      3.011946
  C      -3.259377     -0.189502      3.765773
  C      -2.911995     -1.659733      3.519326
  C      -3.039525     -2.161173      2.071027
  C      -1.779590     -1.846595      1.212899
  C      -0.526743     -2.685856      1.569136
  C       0.704664     -1.830270      1.170825
  C       0.121971     -0.582410      0.482470
  C      -1.231376     -0.407372      1.174783
  C      -4.306091     -1.532292      1.449767
  C      -7.758158      0.078372      8.566253
  C      -7.854557      0.613920      7.137923
  C      -8.253617     -0.443024      6.101682
  C      -7.151355     -1.468852      5.844762
  N      -7.553803     -2.548532      4.950501
  C      -7.980928     -2.067709      3.626406
  C      -7.966317     -3.195634      2.592768
  C      -8.279951     -4.522295      3.270134
  C      -7.120722     -4.903979      4.226197
  C      -7.663725     -5.800937      5.373142
  C      -6.571965     -6.335257      6.333943
  C      -6.965881     -7.787419      6.686768
  C      -8.436716     -7.909350      6.255775
  C      -8.507831     -7.038142      4.996005
  C      -6.571366     -3.608673      4.888858
  C      -3.769286      0.525646      8.644685
  C      -3.924223     -0.550584      9.720958
  C      -3.165536     -1.848079      9.426244
  C      -3.628830     -2.538502      8.144129
  N      -2.968177     -3.819152      7.902828
  C      -3.547269     -4.896239      8.703015
  C      -2.746472     -6.181543      8.535335
  C      -2.658712     -6.579864      7.061232
  C      -2.259354     -5.442818      6.080091
  C      -0.707798     -5.260235      6.010398
  C      -0.265743     -4.371876      4.817112
  C       0.804142     -3.407513      5.346773
  C       0.405135     -3.210417      6.811083
  C      -0.013160     -4.618670      7.251071
  C      -2.983162     -4.147750      6.481399
  H      -3.495094      4.371424     -0.780972
  H      -4.442003      4.523194      0.714653
  H      -5.270397      4.304526     -0.840218
  H      -3.438438      2.206404      0.500576
  H      -4.257634      1.988651     -1.042165
  H      -5.665622      2.445009      1.647385
  H      -6.483013      2.213976      0.108060
  H      -6.518176      0.100648      1.316233
  H      -5.530317     -0.040413     -0.156115
  H      -5.407817     -0.227419      3.458292
  H      -4.637103      1.340687      3.121121
  H      -3.421536     -0.034099      4.845795
  H      -2.425279      0.466348      3.479970
  H      -3.621363     -2.287811      4.097371
  H      -1.909450     -1.887843      3.911321
  H      -2.053290     -2.072872      0.166010
  H      -0.532398     -3.657661      1.056156
  H      -0.517817     -2.907536      2.642833
  H       1.261670     -1.530907      2.072375
  H       1.409789     -2.376193      0.528019
  H       0.773150      0.299990      0.567808
  H      -0.032404     -0.774673     -0.592725
  H      -1.053889     -0.036414      2.195862
  H      -1.910843      0.295356      0.677326
  H      -5.173441     -2.038660      1.936363
  H      -4.343343     -1.776190      0.375777
  H      -8.718783     -0.353097      8.888077
  H      -6.994928     -0.706735      8.659843
  H      -7.493352      0.877083      9.274412
  H      -8.592607      1.431320      7.110046
  H      -6.889865      1.061966      6.842465
  H      -8.509032      0.064102      5.158645
  H      -9.163356     -0.972021      6.434678
  H      -6.255247     -0.937278      5.445850
  H      -6.844076     -1.933283      6.795534
  H      -9.001906     -1.664931      3.721647
  H      -7.336548     -1.230756      3.282758
  H      -8.680734     -2.964841      1.788978
  H      -6.971686     -3.274239      2.123756
  H      -8.428863     -5.319058      2.526428
  H      -9.220700     -4.440652      3.837481
  H      -8.331198     -5.130713      5.945330
  H      -5.587323     -6.288414      5.842618
  H      -6.502844     -5.710012      7.235734
  H      -6.811321     -8.023736      7.749309
  H      -6.348036     -8.493803      6.109633
  H      -9.091014     -7.485711      7.036356
  H      -8.756163     -8.948151      6.085824
  H      -9.536123     -6.776674      4.709737
  H      -8.060057     -7.583387      4.153134
  H      -6.232242     -3.820631      5.911314
  H      -5.646372     -3.272113      4.307792
  H      -4.196548      0.209843      7.680846
  H      -4.278047      1.455424      8.938169
  H      -2.707434      0.762252      8.473131
  H      -4.994565     -0.780642      9.855719
  H      -3.576101     -0.149005     10.686207
  H      -2.085211     -1.642370      9.340122
  H      -3.286059     -2.535399     10.278560
  H      -3.411755     -1.888289      7.282252
  H      -4.739051     -2.660564      8.161501
  H      -4.608826     -5.080325      8.407423
  H      -3.555833     -4.586805      9.757858
  H      -1.746434     -6.049822      8.973388
  H      -3.236700     -6.989553      9.101529
  H      -3.653993     -6.927748      6.738545
  H      -1.969771     -7.430731      6.941874
  H      -0.301249     -6.275399      5.875352
  H      -1.134924     -3.810628      4.445254
  H       0.093250     -4.964288      3.963567
  H       1.802582     -3.873562      5.296588
  H       0.851935     -2.469223      4.773095
  H      -0.459245     -2.528018      6.879224
  H       1.207811     -2.787072      7.432953
  H       0.886141     -5.202410      7.506380
  H      -0.658370     -4.584136      8.133010
  H      -4.035321     -4.264369      6.104820
  H      -2.544510     -3.301641      5.932690
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.806988214394
  N      -3.271632     -3.638873      2.150596
  C      -3.171998     -4.375795      0.884705
  C      -2.807376     -5.822349      1.185724
  N      -3.714921     -6.352743      2.243328
  C      -5.038235     -6.747964      1.678657
  C      -6.112177     -6.702135      2.760203
  N      -5.981023     -5.444336      3.479829
  Mo     -4.106398     -4.762218      3.604455
  N      -2.813066     -5.763482      4.748021
  C      -2.167068     -6.901982      4.088799
  C      -3.099876     -7.463593      3.027019
  H      -1.937398     -7.720154      4.795052
  H      -1.198918     -6.620583      3.624559
  H      -3.925428     -7.999765      3.515241
  H      -2.575698     -8.167318      2.353598
  H      -7.094018     -6.809358      2.262227
  H      -6.011474     -7.582314      3.427693
  H      -5.284220     -6.014092      0.899678
  H      -4.963232     -7.748110      1.213630
  H      -2.395865     -3.987068      0.203379
  H      -4.117268     -4.337309      0.302966
  H      -1.785935     -5.855614      1.591294
  H      -2.851158     -6.462218      0.285068
  C      -4.373246      3.995684     -0.290396
  C      -4.328388      2.482068     -0.092274
  C      -5.567537      1.939455      0.618861
  C      -5.560057      0.421349      0.797871
  N      -4.419397     -0.083448      1.562809
  C      -4.519265      0.263267      2.978442
  C      -3.278476     -0.178429      3.743848
  C      -2.929572     -1.650579      3.508772
  C      -3.047359     -2.158873      2.062182
  C      -1.785361     -1.844454      1.207802
  C      -0.528854     -2.673320      1.572281
  C       0.697818     -1.820443      1.151412
  C       0.106494     -0.576130      0.463166
  C      -1.243481     -0.403237      1.162403
  C      -4.311883     -1.535188      1.429662
  C      -7.666369      0.048365      8.597031
  C      -7.773285      0.600517      7.176173
  C      -8.200456     -0.441266      6.135680
  C      -7.116337     -1.482466      5.866784
  N      -7.537388     -2.554453      4.972548
  C      -7.959163     -2.063497      3.650233
  C      -7.963007     -3.184212      2.609634
  C      -8.282061     -4.512135      3.280094
  C      -7.123443     -4.908659      4.229129
  C      -7.668616     -5.820362      5.364397
  C      -6.575419     -6.389357      6.304595
  C      -6.984029     -7.844413      6.626287
  C      -8.461447     -7.936197      6.211358
  C      -8.537160     -7.035773      4.972260
  C      -6.567714     -3.625892      4.909233
  C      -3.823189      0.529380      8.680781
  C      -3.959616     -0.554249      9.752079
  C      -3.182934     -1.839270      9.448751
  C      -3.629055     -2.522764      8.157408
  N      -2.967271     -3.803029      7.917551
  C      -3.547325     -4.879806      8.717444
  C      -2.749719     -6.166003      8.547295
  C      -2.666127     -6.566462      7.074168
  C      -2.269725     -5.428975      6.092678
  C      -0.718074     -5.246479      6.017047
  C      -0.282073     -4.353503      4.825338
  C       0.789235     -3.390003      5.353069
  C       0.397430     -3.198828      6.820277
  C      -0.017107     -4.609193      7.256694
  C      -2.988639     -4.131870      6.495383
  H      -3.472653      4.364101     -0.802849
  H      -4.444514      4.518153      0.676357
  H      -5.246568      4.294044     -0.891302
  H      -3.433469      2.202809      0.485372
  H      -4.226414      1.979090     -1.069817
  H      -5.679030      2.441423      1.594960
  H      -6.471317      2.204384      0.043572
  H      -6.521317      0.096031      1.261656
  H      -5.516740     -0.049954     -0.198158
  H      -5.426284     -0.211230      3.422385
  H      -4.646317      1.350764      3.078198
  H      -3.447561     -0.017622      4.821879
  H      -2.441908      0.475094      3.460294
  H      -3.642144     -2.274087      4.087710
  H      -1.929561     -1.875941      3.908947
  H      -2.054419     -2.078415      0.161359
  H      -0.533577     -3.654258      1.077188
  H      -0.513114     -2.875595      2.649828
  H       1.269291     -1.516320      2.042130
  H       1.392796     -2.370711      0.501341
  H       0.754872      0.308834      0.542542
  H      -0.053465     -0.771516     -0.610509
  H      -1.062065     -0.029422      2.181845
  H      -1.927576      0.296172      0.666743
  H      -5.182744     -2.039180      1.912854
  H      -4.340982     -1.785903      0.357031
  H      -8.632166     -0.360864      8.931827
  H      -6.923784     -0.758918      8.665109
  H      -7.365037      0.830369      9.309074
  H      -8.498807      1.429538      7.166152
  H      -6.806091      1.038005      6.873313
  H      -8.455625      0.076330      5.198333
  H      -9.116256     -0.957078      6.473127
  H      -6.217529     -0.961813      5.460132
  H      -6.805307     -1.953328      6.813196
  H      -8.973060     -1.643959      3.749752
  H      -7.302399     -1.235710      3.308873
  H      -8.680944     -2.941703      1.812757
  H      -6.972110     -3.267845      2.133172
  H      -8.440125     -5.304898      2.534124
  H      -9.219149     -4.428458      3.853628
  H      -8.321259     -5.152092      5.955469
  H      -5.592250     -6.340329      5.811073
  H      -6.496993     -5.786150      7.220454
  H      -6.820083     -8.109046      7.680678
  H      -6.384303     -8.545020      6.024155
  H      -9.100357     -7.522524      7.009704
  H      -8.796475     -8.966722      6.021899
  H      -9.565087     -6.750865      4.708106
  H      -8.113893     -7.569560      4.109648
  H      -6.240721     -3.851387      5.932532
  H      -5.633657     -3.290717      4.339054
  H      -4.251897      0.213202      7.717927
  H      -4.341595      1.451413      8.981777
  H      -2.765276      0.779787      8.504852
  H      -5.025682     -0.800713      9.889759
  H      -3.613547     -0.152142     10.717847
  H      -2.104723     -1.619473      9.371615
  H      -3.299284     -2.534551     10.294964
  H      -3.398213     -1.868363      7.302757
  H      -4.740016     -2.644229      8.157969
  H      -4.610832     -5.058080      8.423867
  H      -3.552796     -4.572630      9.772907
  H      -1.748093     -6.035038      8.981873
  H      -3.238947     -6.972741      9.116146
  H      -3.661895     -6.916533      6.755404
  H      -1.976745     -7.416698      6.954337
  H      -0.311995     -6.261039      5.875951
  H      -1.153501     -3.792560      4.457957
  H       0.073638     -4.943695      3.968754
  H       1.787910     -3.854781      5.295864
  H       0.833612     -2.449642      4.782402
  H      -0.467671     -2.517585      6.895127
  H       1.202458     -2.776980      7.439987
  H       0.884558     -5.192854      7.504000
  H      -0.656900     -4.579341      8.142582
  H      -4.041752     -4.241960      6.122936
  H      -2.547011     -3.288194      5.945303
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.807297534806
  N      -3.278055     -3.635086      2.142803
  C      -3.166744     -4.382902      0.885111
  C      -2.803518     -5.826795      1.201944
  N      -3.720099     -6.351178      2.253912
  C      -5.037795     -6.748146      1.679613
  C      -6.119588     -6.699408      2.751970
  N      -5.990719     -5.441977      3.471145
  Mo     -4.121484     -4.748716      3.600396
  N      -2.829714     -5.739336      4.759183
  C      -2.183523     -6.884689      4.109313
  C      -3.112669     -7.456458      3.050307
  H      -1.953923     -7.697050      4.822279
  H      -1.215093     -6.607434      3.643457
  H      -3.942167     -7.985587      3.539662
  H      -2.586767     -8.168495      2.387128
  H      -7.097724     -6.803954      2.246432
  H      -6.025977     -7.578743      3.421600
  H      -5.276403     -6.016554      0.896049
  H      -4.959400     -7.749822      1.218572
  H      -2.384381     -3.999503      0.207555
  H      -4.106328     -4.350257      0.293344
  H      -1.786573     -5.854048      1.618825
  H      -2.835993     -6.473825      0.306085
  C      -4.351012      3.991761     -0.321656
  C      -4.311024      2.478657     -0.118368
  C      -5.560092      1.939688      0.578095
  C      -5.556663      0.422038      0.762655
  N      -4.421249     -0.082942      1.534158
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  C      -8.289687     -4.504735      3.296141
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  C      -6.994054     -7.901531      6.563076
  C      -8.475873     -7.970781      6.162153
  C      -8.556581     -7.039348      4.947315
  C      -6.569024     -3.639483      4.929330
  C      -3.802432      0.553406      8.729179
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  C      -3.163005     -1.822014      9.477851
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  H      -3.443333      4.357034     -0.823678
  H      -4.433629      4.517392      0.642433
  H      -5.215965      4.289606     -0.934710
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  H      -4.196626      1.973027     -1.093071
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  H      -6.455509      2.203289     -0.010672
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  H      -5.510729     -0.054064     -0.230977
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  H       0.748459      0.303012      0.513964
  H      -0.067549     -0.774704     -0.635858
  H      -1.061351     -0.030120      2.160783
  H      -1.934826      0.294039      0.650112
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  H      -7.032303     -0.856501      8.720693
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  H      -8.446727      1.424771      7.199955
  H      -6.758355      0.976768      6.973796
  H      -8.391393      0.101969      5.217609
  H      -9.103593     -0.945958      6.452721
  H      -6.190658     -0.983832      5.484826
  H      -6.796940     -1.970854      6.833171
  H      -8.946728     -1.623008      3.770228
  H      -7.268954     -1.244167      3.327600
  H      -8.684714     -2.928871      1.835079
  H      -6.976284     -3.270432      2.141262
  H      -8.462789     -5.295191      2.551252
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  H      -5.596228     -6.386010      5.782170
  H      -6.489462     -5.864979      7.209922
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  H      -6.406737     -8.588360      5.934758
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  H      -9.585052     -6.738277      4.702689
  H      -8.149824     -7.554340      4.065962
  H      -6.258733     -3.875643      5.954867
  H      -5.622387     -3.305645      4.373409
  H      -4.230545      0.244507      7.764579
  H      -4.321636      1.472640      9.036997
  H      -2.744623      0.806319      8.556214
  H      -5.004913     -0.785359      9.929121
  H      -3.591051     -0.144300     10.760303
  H      -2.084742     -1.602211      9.403410
  H      -3.280556     -2.523592     10.319112
  H      -3.367633     -1.838525      7.331271
  H      -4.720334     -2.606368      8.177551
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  H      -3.250412     -6.949196      9.126356
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  H      -1.992331     -7.395920      6.960710
  H      -0.324610     -6.249183      5.883157
  H      -1.153060     -3.780358      4.460644
  H       0.066742     -4.939466      3.974235
  H       1.789560     -3.857263      5.293496
  H       0.842681     -2.447350      4.781214
  H      -0.450731     -2.504053      6.898821
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  H      -0.649386     -4.563875      8.149572
  H      -4.048226     -4.208791      6.150787
  H      -2.552989     -3.263669      5.960420
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.807468352245
  N      -3.278491     -3.635248      2.139034
  C      -3.153385     -4.389534      0.887077
  C      -2.799461     -5.833295      1.215976
  N      -3.730368     -6.350764      2.259107
  C      -5.043595     -6.741117      1.670141
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  N      -6.004869     -5.434206      3.453442
  Mo     -4.138583     -4.740954      3.593212
  N      -2.860070     -5.730782      4.768689
  C      -2.215260     -6.885320      4.131709
  C      -3.137638     -7.456389      3.065896
  H      -2.001013     -7.695552      4.851824
  H      -1.239261     -6.619465      3.675157
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  H      -2.610030     -8.175282      2.411600
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  H      -5.268324     -6.008395      0.883513
  H      -4.965869     -7.743317      1.210023
  H      -2.360106     -4.013497      0.218289
  H      -4.084697     -4.356243      0.282140
  H      -1.788101     -5.861007      1.646064
  H      -2.821817     -6.484383      0.322755
  C      -4.351002      3.990907     -0.333775
  C      -4.303576      2.478132     -0.129779
  C      -5.562252      1.928925      0.541019
  C      -5.550687      0.411124      0.724492
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  C      -6.559644     -3.654175      4.945136
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  N      -2.972617     -3.764324      7.944641
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  C      -2.779514     -6.127863      8.570660
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  H      -3.436342      4.362971     -0.817939
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  H      -5.205893      4.282319     -0.963856
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  H      -4.165657      1.973935     -1.102196
  H      -5.711452      2.432590      1.510996
  H      -6.447177      2.185804     -0.066303
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  H      -5.490103     -0.064620     -0.268594
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  H      -3.679160     -2.248709      4.063221
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  H      -2.040126     -2.088330      0.153105
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  H      -8.708943     -0.337147      8.948771
  H      -7.026163     -0.871281      8.769694
  H      -7.372520      0.742248      9.411515
  H      -8.348915      1.442115      7.213532
  H      -6.671036      0.944517      7.016948
  H      -8.318600      0.111882      5.242970
  H      -9.052076     -0.925100      6.475119
  H      -6.140169     -1.009728      5.505390
  H      -6.756852     -1.987238      6.856366
  H      -8.926193     -1.605351      3.818852
  H      -7.248277     -1.248466      3.355833
  H      -8.709819     -2.911724      1.878041
  H      -6.999369     -3.268229      2.155169
  H      -8.498609     -5.283262      2.582371
  H      -9.224007     -4.397039      3.926341
  H      -8.277198     -5.215145      5.999102
  H      -5.567115     -6.421190      5.723853
  H      -6.436494     -5.957631      7.185734
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  H      -6.387687     -8.626429      5.789096
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  H      -8.805011     -9.029859      5.888122
  H      -9.592097     -6.732548      4.736490
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  H      -6.247784     -3.901969      5.967827
  H      -5.611089     -3.321999      4.387867
  H      -4.295458      0.244846      7.785655
  H      -4.353660      1.482813      9.050276
  H      -2.788044      0.825955      8.522248
  H      -4.986717     -0.775847      9.980326
  H      -3.553943     -0.114147     10.761409
  H      -2.074470     -1.568292      9.380913
  H      -3.243235     -2.497897     10.323451
  H      -3.386785     -1.824678      7.334951
  H      -4.727593     -2.585450      8.208316
  H      -4.627969     -5.001232      8.445269
  H      -3.567458     -4.529374      9.800220
  H      -1.775412     -6.007305      9.003135
  H      -3.275417     -6.928943      9.142223
  H      -3.701356     -6.876059      6.783879
  H      -2.018297     -7.381736      6.975696
  H      -0.352361     -6.240357      5.894573
  H      -1.183235     -3.787117      4.450857
  H       0.042968     -4.944577      3.978469
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  H       0.804625     -2.440542      4.766806
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  H      -4.077271     -4.197564      6.171422
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146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.807629116554
  N      -3.290308     -3.635095      2.142586
  C      -3.169146     -4.388378      0.889757
  C      -2.807027     -5.830356      1.216622
  N      -3.731074     -6.352780      2.263536
  C      -5.045454     -6.749380      1.681425
  C      -6.133715     -6.697168      2.746013
  N      -6.000796     -5.442865      3.469865
  Mo     -4.136123     -4.743519      3.602247
  N      -2.848288     -5.729967      4.770829
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  C      -3.129502     -7.455879      3.067980
  H      -1.978172     -7.691168      4.844678
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  H      -2.604342     -8.173437      2.410139
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  H      -5.276953     -6.019654      0.894005
  H      -4.966795     -7.752385      1.222837
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  H      -4.102810     -4.359154      0.288268
  H      -1.793685     -5.853239      1.642273
  H      -2.830016     -6.481339      0.323121
  C      -4.341189      4.005137     -0.306528
  C      -4.287801      2.491806     -0.108327
  C      -5.562486      1.929052      0.519408
  C      -5.546117      0.410231      0.694122
  N      -4.428461     -0.088641      1.494637
  C      -4.555475      0.279726      2.901780
  C      -3.333052     -0.156193      3.699092
  C      -2.984689     -1.632524      3.490543
  C      -3.068396     -2.156970      2.046815
  C      -1.788629     -1.844368      1.217299
  C      -0.534297     -2.659440      1.611837
  C       0.691749     -1.826624      1.150943
  C       0.101183     -0.576102      0.469785
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  C      -4.317881     -1.541076      1.377065
  C      -7.711161     -0.021313      8.687630
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  C      -8.590127     -7.044680      4.922039
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  C      -3.798068      0.595137      8.697868
  C      -3.910114     -0.487013      9.772990
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  N      -2.946603     -3.739507      7.929563
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  C       0.795558     -3.400156      5.342717
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  C      -2.991494     -4.081102      6.509882
  H      -3.415015      4.387071     -0.760448
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  H      -5.178722      4.293052     -0.961278
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  H      -4.114451      1.993188     -1.078118
  H      -5.746143      2.426224      1.487030
  H      -6.430145      2.183023     -0.113652
  H      -6.521482      0.075342      1.121751
  H      -5.464810     -0.058956     -0.300761
  H      -5.473308     -0.180226      3.338965
  H      -4.676854      1.369653      2.981361
  H      -3.526696      0.018058      4.771146
  H      -2.487281      0.490678      3.428185
  H      -3.712076     -2.244951      4.063416
  H      -1.992994     -1.854939      3.912977
  H      -2.035558     -2.090323      0.167561
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  H       0.751602      0.306926      0.553581
  H      -0.059057     -0.764995     -0.605054
  H      -1.069872     -0.025687      2.186549
  H      -1.934382      0.295940      0.669531
  H      -5.202204     -2.042968      1.835911
  H      -4.316312     -1.799620      0.305536
  H      -8.720258     -0.364171      8.963732
  H      -7.031350     -0.880486      8.783801
  H      -7.395969      0.729203      9.426967
  H      -8.374922      1.425032      7.231710
  H      -6.695057      0.936287      7.031490
  H      -8.337307      0.097233      5.257902
  H      -9.069654     -0.941606      6.488519
  H      -6.154674     -1.020866      5.524542
  H      -6.774727     -2.000069      6.872787
  H      -8.919125     -1.608600      3.818583
  H      -7.234321     -1.262059      3.372906
  H      -8.692768     -2.918439      1.878444
  H      -6.984321     -3.277524      2.170452
  H      -8.485141     -5.294168      2.583789
  H      -9.223613     -4.408784      3.920967
  H      -8.287822     -5.229664      6.003236
  H      -5.589687     -6.458184      5.745367
  H      -6.480968     -6.016120      7.201521
  H      -6.788841     -8.380357      7.453070
  H      -6.448687     -8.660027      5.739773
  H      -9.082400     -7.653253      6.944053
  H      -8.870458     -9.034971      5.847637
  H      -9.619021     -6.712447      4.723513
  H      -8.222432     -7.526457      4.004698
  H      -6.255111     -3.914048      5.984877
  H      -5.623817     -3.329847      4.402275
  H      -4.245744      0.275041      7.745484
  H      -4.312991      1.516543      9.006812
  H      -2.744226      0.848233      8.501243
  H      -4.972370     -0.739449      9.929429
  H      -3.549104     -0.082654     10.732581
  H      -2.053559     -1.544197      9.378778
  H      -3.242302     -2.467526     10.301890
  H      -3.322924     -1.796293      7.310290
  H      -4.692237     -2.540541      8.154745
  H      -4.614734     -4.958959      8.426628
  H      -3.563790     -4.484574      9.787282
  H      -1.771549     -5.976012      9.013844
  H      -3.276106     -6.890361      9.155614
  H      -3.691961     -6.860518      6.795285
  H      -2.010849     -7.370133      6.997976
  H      -0.346284     -6.252375      5.888674
  H      -1.156307     -3.785995      4.452755
  H       0.055985     -4.955741      3.973826
  H       1.788335     -3.876656      5.279969
  H       0.847830     -2.462551      4.768230
  H      -0.436736     -2.505784      6.890304
  H       1.233413     -2.785460      7.424210
  H       0.881538     -5.197704      7.496412
  H      -0.643124     -4.559261      8.150514
  H      -4.051111     -4.175966      6.157615
  H      -2.550890     -3.247472      5.944222
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.807746367670
  N      -3.278750     -3.634008      2.140754
  C      -3.149401     -4.396931      0.895093
  C      -2.795406     -5.838008      1.234379
  N      -3.731900     -6.348930      2.274578
  C      -5.043434     -6.736782      1.683791
  C      -6.137373     -6.677125      2.742301
  N      -6.001814     -5.423777      3.467564
  Mo     -4.133873     -4.730947      3.604969
  N      -2.855041     -5.721872      4.781856
  C      -2.218998     -6.882972      4.147652
  C      -3.146795     -7.453832      3.087010
  H      -2.007446     -7.691663      4.870505
  H      -1.242451     -6.625023      3.688638
  H      -3.987757     -7.965671      3.575346
  H      -2.626443     -8.180480      2.435488
  H      -7.109809     -6.770070      2.222563
  H      -6.063265     -7.558261      3.411452
  H      -5.265722     -6.005841      0.895024
  H      -4.969477     -7.740222      1.225473
  H      -2.352761     -4.025189      0.227902
  H      -4.076905     -4.368219      0.284364
  H      -1.786367     -5.861357      1.670110
  H      -2.811742     -6.494120      0.344502
  C      -4.325252      3.995996     -0.346024
  C      -4.261985      2.484168     -0.139823
  C      -5.548834      1.911101      0.452667
  C      -5.524081      0.392765      0.630364
  N      -4.415327     -0.097462      1.447819
  C      -4.549109      0.290672      2.848791
  C      -3.333043     -0.140752      3.659959
  C      -2.980611     -1.618927      3.468149
  C      -3.059360     -2.157374      2.029983
  C      -1.779269     -1.846701      1.199504
  C      -0.520076     -2.644933      1.607800
  C       0.698536     -1.820012      1.112597
  C       0.097585     -0.577240      0.425907
  C      -1.249912     -0.401796      1.129894
  C      -4.307960     -1.550931      1.350952
  C      -7.738357     -0.078105      8.754527
  C      -7.736331      0.518197      7.346977
  C      -8.151949     -0.471179      6.251638
  C      -7.087459     -1.531834      5.976420
  N      -7.528009     -2.580501      5.061680
  C      -7.933501     -2.050120      3.750126
  C      -7.973275     -3.150177      2.686281
  C      -8.302892     -4.485780      3.334637
  C      -7.134048     -4.919223      4.255852
  C      -7.673961     -5.883468      5.351326
  C      -6.576975     -6.554493      6.223997
  C      -6.994379     -8.034076      6.379901
  C      -8.493328     -8.046536      6.048933
  C      -8.598375     -7.038297      4.899847
  C      -6.574055     -3.662701      4.977061
  C      -3.769197      0.603862      8.729983
  C      -3.879212     -0.482701      9.800793
  C      -3.108910     -1.766048      9.474072
  C      -3.569105     -2.433901      8.178662
  N      -2.946464     -3.733884      7.940995
  C      -3.558977     -4.789873      8.742725
  C      -2.787937     -6.093943      8.587547
  C      -2.699750     -6.506638      7.116959
  C      -2.296937     -5.382445      6.121653
  C      -0.742755     -5.222289      6.031332
  C      -0.306482     -4.331525      4.837978
  C       0.782293     -3.382902      5.359103
  C       0.412527     -3.197249      6.832469
  C      -0.016315     -4.604277      7.265452
  C      -2.995002     -4.073803      6.521223
  H      -3.390543      4.385278     -0.775202
  H      -4.496755      4.518105      0.608260
  H      -5.146706      4.272316     -1.025422
  H      -3.418532      2.227303      0.519666
  H      -4.055335      1.983391     -1.101807
  H      -5.764865      2.408395      1.413429
  H      -6.400189      2.155576     -0.205476
  H      -6.503292      0.051557      1.042829
  H      -5.423711     -0.076868     -0.362451
  H      -5.473382     -0.155932      3.286684
  H      -4.663620      1.382374      2.912321
  H      -3.534476      0.043133      4.728839
  H      -2.484960      0.503591      3.390564
  H      -3.706158     -2.228446      4.045449
  H      -1.988516     -1.833650      3.894059
  H      -2.020830     -2.109286      0.152722
  H      -0.526166     -3.661606      1.191916
  H      -0.489955     -2.763823      2.697429
  H       1.321929     -1.513361      1.966600
  H       1.348423     -2.395181      0.437894
  H       0.744964      0.308862      0.498205
  H      -0.068929     -0.775179     -0.646140
  H      -1.066584     -0.013175      2.144079
  H      -1.941043      0.285551      0.627526
  H      -5.194041     -2.045348      1.816172
  H      -4.306215     -1.824405      0.283312
  H      -8.742265     -0.441208      9.023486
  H      -7.044607     -0.926862      8.840319
  H      -7.437796      0.667195      9.505121
  H      -8.418341      1.382949      7.321650
  H      -6.733373      0.915278      7.113720
  H      -8.359848      0.087354      5.326483
  H      -9.092610     -0.972396      6.538268
  H      -6.174350     -1.025664      5.582540
  H      -6.793635     -2.024261      6.916729
  H      -8.929829     -1.595363      3.861863
  H      -7.243493     -1.242216      3.425691
  H      -8.700180     -2.880388      1.906367
  H      -6.990202     -3.237125      2.195080
  H      -8.482624     -5.265138      2.580510
  H      -9.227186     -4.399668      3.927411
  H      -8.288909     -5.238466      6.003859
  H      -5.589884     -6.452145      5.749250
  H      -6.507100     -6.060887      7.204749
  H      -6.770398     -8.439592      7.376998
  H      -6.455561     -8.658679      5.648571
  H      -9.071676     -7.683551      6.915198
  H      -8.875178     -9.045223      5.790444
  H      -9.628221     -6.701240      4.716540
  H      -8.238734     -7.502998      3.970636
  H      -6.249903     -3.917877      5.994969
  H      -5.640281     -3.312262      4.410175
  H      -4.232773      0.292789      7.782227
  H      -4.270162      1.529012      9.050082
  H      -2.715364      0.846254      8.521143
  H      -4.941471     -0.730473      9.963246
  H      -3.509059     -0.085490     10.759726
  H      -2.030977     -1.547335      9.388915
  H      -3.218096     -2.468412     10.315444
  H      -3.310631     -1.786021      7.327177
  H      -4.682159     -2.524067      8.174982
  H      -4.622996     -4.943114      8.433694
  H      -3.571096     -4.477964      9.796586
  H      -1.788523     -5.979380      9.031743
  H      -3.298389     -6.886283      9.158216
  H      -3.695525     -6.854975      6.799766
  H      -2.013950     -7.361334      7.008696
  H      -0.353875     -6.241801      5.881471
  H      -1.174558     -3.761144      4.476768
  H       0.036243     -4.925002      3.978246
  H       1.775031     -3.857638      5.285110
  H       0.829766     -2.438718      4.795122
  H      -0.442553     -2.506678      6.922222
  H       1.231135     -2.789935      7.444093
  H       0.880033     -5.203181      7.495051
  H      -0.641836     -4.571377      8.161176
  H      -4.055082     -4.170036      6.172119
  H      -2.556191     -3.239722      5.954608
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.807897714446
  N      -3.283786     -3.631347      2.137321
  C      -3.140936     -4.399654      0.896809
  C      -2.791056     -5.840127      1.244633
  N      -3.737000     -6.345332      2.278947
  C      -5.045797     -6.729063      1.680395
  C      -6.145343     -6.669609      2.733674
  N      -6.008833     -5.418689      3.463120
  Mo     -4.142639     -4.722728      3.602545
  N      -2.864853     -5.708851      4.785448
  C      -2.233017     -6.876289      4.157884
  C      -3.161125     -7.449030      3.099296
  H      -2.024522     -7.681991      4.885104
  H      -1.255221     -6.624386      3.697880
  H      -4.006712     -7.952562      3.588213
  H      -2.642980     -8.182852      2.453856
  H      -7.115598     -6.757054      2.208926
  H      -6.077422     -7.553306      3.399530
  H      -5.262268     -5.995301      0.892619
  H      -4.971750     -7.731341      1.219475
  H      -2.336099     -4.030476      0.237362
  H      -4.061083     -4.372891      0.275159
  H      -1.785372     -5.864072      1.687948
  H      -2.801796     -6.499778      0.357310
  C      -4.309159      3.995774     -0.372036
  C      -4.241521      2.484966     -0.160138
  C      -5.539265      1.905754      0.401409
  C      -5.513327      0.387495      0.580704
  N      -4.416278     -0.100450      1.414275
  C      -4.565330      0.297575      2.810273
  C      -3.360202     -0.130738      3.639901
  C      -3.004007     -1.609082      3.458703
  C      -3.066893     -2.155209      2.022337
  C      -1.779589     -1.847985      1.202913
  C      -0.527065     -2.648891      1.622540
  C       0.696314     -1.838637      1.115106
  C       0.104515     -0.585544      0.437506
  C      -1.244291     -0.405297      1.138233
  C      -4.309442     -1.554399      1.327980
  C      -7.741478     -0.156360      8.815038
  C      -7.739138      0.470694      7.421081
  C      -8.151587     -0.495440      6.304389
  C      -7.085024     -1.548804      6.010611
  N      -7.523633     -2.585999      5.082668
  C      -7.920376     -2.040067      3.774977
  C      -7.969577     -3.131029      2.701975
  C      -8.305844     -4.470666      3.339067
  C      -7.139182     -4.918649      4.257488
  C      -7.681393     -5.890330      5.345477
  C      -6.584537     -6.571697      6.210363
  C      -6.986151     -8.058500      6.325501
  C      -8.488656     -8.070461      6.012138
  C      -8.610058     -7.039415      4.884690
  C      -6.573578     -3.670863      4.988848
  C      -3.732743      0.635797      8.715557
  C      -3.863522     -0.448238      9.786836
  C      -3.101130     -1.739054      9.470146
  C      -3.567936     -2.413814      8.180776
  N      -2.944865     -3.714129      7.944284
  C      -3.552287     -4.766737      8.755481
  C      -2.791490     -6.076715      8.593264
  C      -2.713081     -6.489139      7.121959
  C      -2.306671     -5.368094      6.125577
  C      -0.751887     -5.214491      6.037863
  C      -0.306328     -4.332962      4.840850
  C       0.788121     -3.390130      5.360780
  C       0.413318     -3.192012      6.831152
  C      -0.025891     -4.593556      7.270742
  C      -3.002688     -4.059499      6.525763
  H      -3.366380      4.389893     -0.778635
  H      -4.508154      4.519264      0.576142
  H      -5.114845      4.265073     -1.072854
  H      -3.413275      2.235256      0.521017
  H      -4.007181      1.982593     -1.114933
  H      -5.781529      2.402988      1.356041
  H      -6.375941      2.145654     -0.276973
  H      -6.497488      0.045650      0.980364
  H      -5.398105     -0.082816     -0.410247
  H      -5.496104     -0.143351      3.240837
  H      -4.678138      1.390011      2.864895
  H      -3.577872      0.057693      4.704707
  H      -2.507895      0.512361      3.380634
  H      -3.734938     -2.216961      4.031442
  H      -2.016375     -1.820693      3.896165
  H      -2.012336     -2.110407      0.154035
  H      -0.541231     -3.672909      1.225193
  H      -0.497921     -2.747525      2.714539
  H       1.334684     -1.543570      1.962087
  H       1.329741     -2.420717      0.430659
  H       0.757980      0.295334      0.518444
  H      -0.060184     -0.773122     -0.636638
  H      -1.063276     -0.020291      2.154336
  H      -1.930926      0.286172      0.635400
  H      -5.199722     -2.045688      1.789240
  H      -4.298698     -1.834827      0.262214
  H      -8.744480     -0.529523      9.073924
  H      -7.044193     -1.003510      8.885596
  H      -7.446690      0.574624      9.582056
  H      -8.423509      1.333870      7.414072
  H      -6.736840      0.875579      7.197768
  H      -8.357812      0.081662      5.390115
  H      -9.091988     -1.004140      6.578551
  H      -6.174352     -1.035392      5.621775
  H      -6.787738     -2.052708      6.944045
  H      -8.911774     -1.575013      3.888398
  H      -7.219494     -1.237342      3.460408
  H      -8.696718     -2.850127      1.926357
  H      -6.988461     -3.220148      2.207213
  H      -8.488321     -5.241820      2.576827
  H      -9.230632     -4.385270      3.931249
  H      -8.292464     -5.248602      6.004660
  H      -5.594527     -6.444439      5.748603
  H      -6.529847     -6.105429      7.205356
  H      -6.744340     -8.492656      7.306174
  H      -6.452872     -8.655098      5.566865
  H      -9.057663     -7.726510      6.892384
  H      -8.870276     -9.065165      5.738289
  H      -9.642523     -6.701432      4.718952
  H      -8.258863     -7.485413      3.943578
  H      -6.248549     -3.934576      6.003941
  H      -5.639216     -3.320546      4.421889
  H      -4.189124      0.327155      7.763360
  H      -4.229058      1.565843      9.028778
  H      -2.674780      0.868868      8.517247
  H      -4.929888     -0.686409      9.937241
  H      -3.501225     -0.052927     10.749556
  H      -2.021938     -1.527721      9.383251
  H      -3.214798     -2.434757     10.316365
  H      -3.318894     -1.768899      7.324044
  H      -4.680796     -2.506702      8.186429
  H      -4.622095     -4.913964      8.463323
  H      -3.547547     -4.452955      9.808888
  H      -1.789221     -5.970387      9.033044
  H      -3.304657     -6.866559      9.164840
  H      -3.713163     -6.829674      6.808929
  H      -2.034463     -7.349144      7.009775
  H      -0.367799     -6.237008      5.895217
  H      -1.169053     -3.757912      4.474968
  H       0.034192     -4.932992      3.984546
  H       1.777008     -3.874124      5.294268
  H       0.847027     -2.449942      4.791315
  H      -0.438059     -2.495504      6.912800
  H       1.232006     -2.785932      7.443543
  H       0.866210     -5.196473      7.506587
  H      -0.654020     -4.551537      8.164260
  H      -4.064228     -4.160129      6.185458
  H      -2.570812     -3.226315      5.952029
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.808044504746
  N      -3.268107     -3.638815      2.146319
  C      -3.111014     -4.407267      0.907705
  C      -2.776980     -5.850802      1.259459
  N      -3.736847     -6.348516      2.285240
  C      -5.043540     -6.718214      1.672659
  C      -6.154974     -6.654052      2.713567
  N      -6.012193     -5.410647      3.453888
  Mo     -4.143412     -4.725082      3.603728
  N      -2.876058     -5.713434      4.794274
  C      -2.251245     -6.890472      4.177394
  C      -3.175882     -7.456496      3.111314
  H      -2.059267     -7.695381      4.909947
  H      -1.265942     -6.651321      3.725760
  H      -4.029396     -7.952924      3.593456
  H      -2.658279     -8.194900      2.470544
  H      -7.119720     -6.723102      2.175969
  H      -6.108146     -7.545147      3.370695
  H      -5.245000     -5.978133      0.886664
  H      -4.973878     -7.718825      1.207324
  H      -2.292320     -4.043971      0.261850
  H      -4.020683     -4.373246      0.271295
  H      -1.775617     -5.884712      1.711492
  H      -2.785661     -6.510549      0.372318
  C      -4.336642      3.980650     -0.383521
  C      -4.253479      2.471753     -0.164097
  C      -5.547406      1.881748      0.394777
  C      -5.510265      0.363826      0.574688
  N      -4.413252     -0.116330      1.412518
  C      -4.568615      0.285940      2.805860
  C      -3.367268     -0.136359      3.644032
  C      -3.004912     -1.612531      3.466899
  C      -3.055229     -2.161860      2.030854
  C      -1.763978     -1.851884      1.219558
  C      -0.509053     -2.635420      1.660311
  C       0.709026     -1.839257      1.119205
  C       0.112240     -0.585777      0.443844
  C      -1.237499     -0.406608      1.144079
  C      -4.297428     -1.569742      1.329531
  C      -7.786946     -0.265338      8.888764
  C      -7.760642      0.406184      7.515727
  C      -8.159044     -0.521260      6.361812
  C      -7.090668     -1.566837      6.050029
  N      -7.522959     -2.584893      5.098778
  C      -7.912879     -2.016743      3.798875
  C      -7.962170     -3.093072      2.709795
  C      -8.302884     -4.442667      3.324664
  C      -7.142598     -4.905421      4.244666
  C      -7.692325     -5.877170      5.327832
  C      -6.596101     -6.566193      6.188185
  C      -6.971287     -8.060914      6.251517
  C      -8.478257     -8.079804      5.961760
  C      -8.626780     -7.021542      4.862282
  C      -6.570566     -3.665901      4.985124
  C      -3.659026      0.692609      8.643420
  C      -3.832441     -0.377030      9.723692
  C      -3.092632     -1.688312      9.436205
  C      -3.567896     -2.381628      8.160001
  N      -2.947167     -3.686266      7.937048
  C      -3.557103     -4.725821      8.762634
  C      -2.809747     -6.044659      8.608204
  C      -2.736189     -6.470820      7.140203
  C      -2.318129     -5.363738      6.133661
  C      -0.762074     -5.224747      6.046692
  C      -0.305876     -4.366328      4.836677
  C       0.795779     -3.425601      5.344624
  C       0.417119     -3.199506      6.809932
  C      -0.033374     -4.590453      7.271528
  C      -3.007167     -4.047439      6.522677
  H      -3.395503      4.383670     -0.785205
  H      -4.548809      4.506232      0.560662
  H      -5.140079      4.237444     -1.091622
  H      -3.425106      2.234104      0.521371
  H      -4.009947      1.966780     -1.115153
  H      -5.796447      2.377817      1.348229
  H      -6.384810      2.114075     -0.285424
  H      -6.493764      0.015848      0.971910
  H      -5.387589     -0.106632     -0.415395
  H      -5.500466     -0.155392      3.234553
  H      -4.684391      1.378312      2.856878
  H      -3.594620      0.053025      4.706535
  H      -2.514543      0.508803      3.390992
  H      -3.739185     -2.222526      4.034049
  H      -2.020041     -1.821184      3.911622
  H      -1.984077     -2.127831      0.171148
  H      -0.523072     -3.674982      1.306140
  H      -0.475298     -2.688790      2.755514
  H       1.370550     -1.545379      1.948590
  H       1.320285     -2.431845      0.423690
  H       0.764229      0.296257      0.524043
  H      -0.052706     -0.772640     -0.630314
  H      -1.060239     -0.012880      2.157565
  H      -1.927789      0.277039      0.635537
  H      -5.186360     -2.065547      1.788325
  H      -4.280941     -1.851513      0.264224
  H      -8.794183     -0.646623      9.118157
  H      -7.090468     -1.113982      8.947540
  H      -7.507350      0.442043      9.683297
  H      -8.443439      1.270560      7.526442
  H      -6.754081      0.816019      7.321041
  H      -8.350333      0.086069      5.463428
  H      -9.104108     -1.036904      6.605508
  H      -6.177623     -1.044655      5.678466
  H      -6.798133     -2.090267      6.973928
  H      -8.903349     -1.549977      3.915201
  H      -7.206999     -1.211720      3.500651
  H      -8.687709     -2.799945      1.937270
  H      -6.981233     -3.176629      2.213692
  H      -8.480155     -5.201262      2.548334
  H      -9.232414     -4.365900      3.910861
  H      -8.296982     -5.233377      5.990449
  H      -5.600368     -6.404914      5.749730
  H      -6.570069     -6.135408      7.199780
  H      -6.702998     -8.528838      7.209443
  H      -6.443799     -8.618833      5.459717
  H      -9.035334     -7.762929      6.859895
  H      -8.855767     -9.070728      5.669091
  H      -9.663471     -6.684024      4.723895
  H      -8.292052     -7.445020      3.905406
  H      -6.238510     -3.939164      5.994662
  H      -5.640133     -3.311054      4.414898
  H      -4.105054      0.384242      7.686338
  H      -4.140176      1.636625      8.937875
  H      -2.592937      0.901000      8.461764
  H      -4.906605     -0.590140      9.856535
  H      -3.480355      0.021439     10.688918
  H      -2.009682     -1.498082      9.348744
  H      -3.221628     -2.365904     10.295174
  H      -3.328129     -1.749018      7.291793
  H      -4.680283     -2.474743      8.176719
  H      -4.630765     -4.866088      8.482003
  H      -3.540455     -4.401149      9.813066
  H      -1.806138     -5.946312      9.047247
  H      -3.330930     -6.824973      9.185602
  H      -3.739899     -6.802961      6.829670
  H      -2.067224     -7.339243      7.035510
  H      -0.386524     -6.252828      5.921303
  H      -1.162339     -3.789416      4.460107
  H       0.030902     -4.982431      3.990447
  H       1.779896     -3.920810      5.290353
  H       0.866119     -2.495829      4.759433
  H      -0.430120     -2.496535      6.876019
  H       1.236138     -2.788171      7.418393
  H       0.853434     -5.196514      7.518986
  H      -0.662883     -4.529128      8.162949
  H      -4.068871     -4.148588      6.183101
  H      -2.573240     -3.222002      5.940017
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.808126023479
  N      -3.270499     -3.634239      2.147395
  C      -3.110562     -4.401830      0.909080
  C      -2.783244     -5.846870      1.260495
  N      -3.745481     -6.343379      2.283795
  C      -5.051433     -6.709939      1.668448
  C      -6.164680     -6.644659      2.706949
  N      -6.020760     -5.404400      3.451468
  Mo     -4.151067     -4.720003      3.602614
  N      -2.883937     -5.709618      4.793516
  C      -2.262121     -6.887595      4.175761
  C      -3.188253     -7.452308      3.110483
  H      -2.069285     -7.692870      4.907475
  H      -1.277612     -6.649289      3.722139
  H      -4.043539     -7.945729      3.592652
  H      -2.672242     -8.192749      2.470913
  H      -7.128754     -6.709082      2.167790
  H      -6.121690     -7.537635      3.361993
  H      -5.249318     -5.969019      0.882362
  H      -4.982920     -7.710636      1.203172
  H      -2.287810     -4.040779      0.267557
  H      -4.017055     -4.364193      0.267980
  H      -1.782951     -5.884953      1.714291
  H      -2.792335     -6.505421      0.372498
  C      -4.325372      3.975601     -0.411099
  C      -4.245291      2.467565     -0.184659
  C      -5.540195      1.883475      0.378209
  C      -5.506370      0.366141      0.563705
  N      -4.412647     -0.112569      1.406781
  C      -4.573739      0.290553      2.799209
  C      -3.376719     -0.130875      3.643174
  C      -3.015596     -1.607800      3.470609
  C      -3.055892     -2.157537      2.034024
  C      -1.759612     -1.848201      1.231135
  C      -0.507769     -2.630614      1.680470
  C       0.712553     -1.843091      1.132252
  C       0.121354     -0.581497      0.465837
  C      -1.231535     -0.403256      1.160325
  C      -4.293658     -1.565629      1.323645
  C      -7.793985     -0.282143      8.910806
  C      -7.729061      0.396093      7.542175
  C      -8.134809     -0.514924      6.377440
  C      -7.079411     -1.573837      6.065913
  N      -7.522755     -2.588690      5.117031
  C      -7.919887     -2.018460      3.820423
  C      -7.983341     -3.093484      2.730719
  C      -8.316994     -4.443783      3.347064
  C      -7.147408     -4.906958      4.252542
  C      -7.686704     -5.885748      5.335162
  C      -6.580978     -6.576470      6.182056
  C      -6.939909     -8.075097      6.224447
  C      -8.448962     -8.105759      5.948021
  C      -8.621634     -7.029715      4.869180
  C      -6.572685     -3.670555      4.996124
  C      -3.659894      0.697984      8.606730
  C      -3.849875     -0.361790      9.694012
  C      -3.111643     -1.677664      9.425138
  C      -3.575816     -2.376916      8.148678
  N      -2.951547     -3.680928      7.933313
  C      -3.562679     -4.719038      8.758710
  C      -2.815242     -6.037282      8.606952
  C      -2.745284     -6.467697      7.140542
  C      -2.324387     -5.362621      6.132791
  C      -0.767673     -5.226250      6.044765
  C      -0.311060     -4.363978      4.837700
  C       0.797922     -3.433174      5.347045
  C       0.421510     -3.208205      6.813054
  C      -0.036338     -4.597777      7.271401
  C      -3.010039     -4.044097      6.519675
  H      -3.382904      4.375161     -0.812802
  H      -4.538535      4.505445      0.530349
  H      -5.127055      4.230405     -1.121709
  H      -3.417024      2.231608      0.501487
  H      -4.003768      1.957452     -1.133321
  H      -5.785961      2.383852      1.330037
  H      -6.377915      2.115295     -0.301685
  H      -6.492217      0.021652      0.958574
  H      -5.380874     -0.107907     -0.424173
  H      -5.507238     -0.150561      3.224218
  H      -4.689415      1.382860      2.849466
  H      -3.608704      0.061310      4.704200
  H      -2.522225      0.512406      3.391855
  H      -3.755711     -2.215728      4.032169
  H      -2.034972     -1.817368      3.924112
  H      -1.972382     -2.123510      0.181040
  H      -0.523515     -3.674189      1.338974
  H      -0.475722     -2.669931      2.776423
  H       1.385310     -1.559945      1.955944
  H       1.310793     -2.438366      0.427935
  H       0.775455      0.297774      0.556953
  H      -0.038938     -0.757919     -0.610591
  H      -1.059736     -0.011924      2.175414
  H      -1.918410      0.281922      0.649482
  H      -5.184798     -2.063735      1.774899
  H      -4.268006     -1.846174      0.258254
  H      -8.816417     -0.628383      9.127369
  H      -7.129415     -1.155982      8.970355
  H      -7.496653      0.409316      9.712610
  H      -8.388943      1.278115      7.548664
  H      -6.709455      0.780321      7.364757
  H      -8.311721      0.101992      5.482642
  H      -9.088548     -1.018779      6.611534
  H      -6.159455     -1.062817      5.694348
  H      -6.793221     -2.099202      6.990328
  H      -8.906791     -1.546236      3.945218
  H      -7.212709     -1.216954      3.516851
  H      -8.718039     -2.799131      1.967449
  H      -7.008776     -3.177425      2.222211
  H      -8.502882     -5.200788      2.571554
  H      -9.239400     -4.368258      3.944503
  H      -8.287573     -5.246141      6.005094
  H      -5.587301     -6.398024      5.744717
  H      -6.559630     -6.161468      7.200321
  H      -6.657875     -8.554935      7.172431
  H      -6.413793     -8.614748      5.419882
  H      -9.000688     -7.813183      6.857522
  H      -8.817689     -9.095247      5.639988
  H      -9.662472     -6.696516      4.754489
  H      -8.302600     -7.436391      3.899491
  H      -6.240750     -3.948516      6.004281
  H      -5.641813     -3.314823      4.427097
  H      -4.090069      0.381063      7.645316
  H      -4.146359      1.643963      8.885368
  H      -2.591348      0.906070      8.440470
  H      -4.925928     -0.569884      9.817103
  H      -3.505888      0.043888     10.659041
  H      -2.027174     -1.491936      9.348156
  H      -3.253452     -2.348447     10.287411
  H      -3.330165     -1.747142      7.280392
  H      -4.688218     -2.471211      8.156850
  H      -4.635272     -4.859081      8.475320
  H      -3.548528     -4.393737      9.809067
  H      -1.810259     -5.937167      9.042484
  H      -3.334737     -6.815571      9.188575
  H      -3.750247     -6.797178      6.832167
  H      -2.079352     -7.338468      7.037678
  H      -0.393734     -6.254241      5.914930
  H      -1.165159     -3.779491      4.467028
  H       0.019072     -4.977326      3.987123
  H       1.778027     -3.935878      5.291136
  H       0.875407     -2.502919      4.763890
  H      -0.421815     -2.500792      6.880784
  H       1.242962     -2.802933      7.422124
  H       0.847416     -5.208408      7.518178
  H      -0.665923     -4.535116      8.162585
  H      -4.070812     -4.140712      6.176816
  H      -2.570239     -3.221054      5.938462
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.808169761290
  N      -3.264796     -3.639153      2.154847
  C      -3.107999     -4.401565      0.912387
  C      -2.783993     -5.848705      1.257335
  N      -3.744622     -6.347383      2.281289
  C      -5.052999     -6.709225      1.667292
  C      -6.164135     -6.643136      2.707474
  N      -6.017134     -5.405536      3.456187
  Mo     -4.143176     -4.729744      3.607563
  N      -2.876101     -5.726074      4.791015
  C      -2.258341     -6.903294      4.169556
  C      -3.187855     -7.460931      3.102567
  H      -2.068071     -7.711841      4.898395
  H      -1.273196     -6.666896      3.716309
  H      -4.043524     -7.955116      3.583733
  H      -2.674030     -8.199262      2.458902
  H      -7.129387     -6.704287      2.169729
  H      -6.122307     -7.537979      3.360367
  H      -5.249538     -5.966307      0.882562
  H      -4.987748     -7.709396      1.200413
  H      -2.285399     -4.039771      0.271523
  H      -4.015589     -4.359319      0.272509
  H      -1.782796     -5.891048      1.709034
  H      -2.796300     -6.503399      0.366429
  C      -4.323521      3.970002     -0.395187
  C      -4.251018      2.460998     -0.171577
  C      -5.540206      1.886041      0.413926
  C      -5.512132      0.368610      0.599481
  N      -4.413757     -0.113615      1.435605
  C      -4.570102      0.280164      2.831597
  C      -3.367799     -0.142187      3.666912
  C      -3.007926     -1.618737      3.486929
  C      -3.050879     -2.160819      2.047596
  C      -1.757812     -1.844607      1.242017
  C      -0.502734     -2.628991      1.678983
  C       0.714122     -1.838485      1.128296
  C       0.120293     -0.567501      0.481344
  C      -1.230992     -0.398463      1.181322
  C      -4.291984     -1.566093      1.343844
  C      -7.801975     -0.240601      8.894347
  C      -7.711298      0.420138      7.518362
  C      -8.121857     -0.497888      6.360306
  C      -7.075532     -1.570914      6.064565
  N      -7.522342     -2.586968      5.118241
  C      -7.923198     -2.019651      3.821340
  C      -7.983251     -3.096291      2.732928
  C      -8.313894     -4.447126      3.349856
  C      -7.144151     -4.905748      4.255160
  C      -7.685356     -5.880317      5.342236
  C      -6.579784     -6.564623      6.194502
  C      -6.934353     -8.064144      6.245494
  C      -8.440678     -8.105691      5.955993
  C      -8.616319     -7.028372      4.878731
  C      -6.570191     -3.666617      4.995627
  C      -3.677889      0.684537      8.555478
  C      -3.880847     -0.362978      9.652263
  C      -3.142699     -1.683070      9.405430
  C      -3.590722     -2.390781      8.128389
  N      -2.956199     -3.691441      7.921900
  C      -3.560800     -4.731600      8.748908
  C      -2.801933     -6.043449      8.603646
  C      -2.731741     -6.480795      7.139385
  C      -2.316335     -5.376429      6.128319
  C      -0.760318     -5.230143      6.038796
  C      -0.312299     -4.368809      4.828011
  C       0.788974     -3.426479      5.332376
  C       0.412068     -3.198641      6.797952
  C      -0.033778     -4.590198      7.262756
  C      -3.007504     -4.058229      6.509503
  H      -3.384475      4.363605     -0.810788
  H      -4.518568      4.499929      0.550253
  H      -5.134401      4.231475     -1.092959
  H      -3.412604      2.218204      0.499885
  H      -4.030403      1.950072     -1.124983
  H      -5.765261      2.388166      1.369944
  H      -6.387959      2.123345     -0.251676
  H      -6.497134      0.028156      1.000006
  H      -5.394811     -0.105527     -0.389291
  H      -5.499336     -0.168616      3.258098
  H      -4.690269      1.371639      2.889550
  H      -3.593272      0.046268      4.730211
  H      -2.515527      0.502710      3.412155
  H      -3.747775     -2.228885      4.045979
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  H      -1.974671     -2.110636      0.190385
  H      -0.518818     -3.670230      1.330146
  H      -0.465225     -2.675031      2.774639
  H       1.396896     -1.567467      1.947669
  H       1.302510     -2.427585      0.410516
  H       0.774320      0.310700      0.583391
  H      -0.042485     -0.728569     -0.597147
  H      -1.057120     -0.015644      2.199294
  H      -1.920021      0.290656      0.678495
  H      -5.180383     -2.068268      1.795303
  H      -4.269122     -1.840634      0.276795
  H      -8.833685     -0.560547      9.107316
  H      -7.158681     -1.129622      8.967237
  H      -7.493399      0.452028      9.690807
  H      -8.354868      1.314293      7.508633
  H      -6.683299      0.783591      7.346495
  H      -8.289240      0.111316      5.458529
  H      -9.081686     -0.989668      6.595572
  H      -6.145484     -1.072156      5.699516
  H      -6.804124     -2.093482      6.994994
  H      -8.911799     -1.550930      3.946792
  H      -7.220661     -1.215260      3.515186
  H      -8.717992     -2.804846      1.968251
  H      -7.008033     -3.178831      2.225272
  H      -8.497453     -5.204437      2.574325
  H      -9.236509     -4.373790      3.947259
  H      -8.288918     -5.236812      6.005992
  H      -5.585879     -6.387802      5.756080
  H      -6.560803     -6.142454      7.210125
  H      -6.660530     -8.534544      7.200789
  H      -6.396418     -8.609161      5.452523
  H      -9.002184     -7.823170      6.862813
  H      -8.798368     -9.097054      5.640891
  H      -9.658702     -6.698551      4.767076
  H      -8.300434     -7.434240      3.907178
  H      -6.237279     -3.944186      6.004047
  H      -5.640462     -3.309527      4.427583
  H      -4.093439      0.356487      7.591301
  H      -4.170170      1.632481      8.817178
  H      -2.607512      0.893499      8.401887
  H      -4.958341     -0.567405      9.768570
  H      -3.544013      0.053530     10.615252
  H      -2.056570     -1.500989      9.341586
  H      -3.299079     -2.345637     10.271690
  H      -3.340249     -1.762920      7.260078
  H      -4.702641     -2.490824      8.125973
  H      -4.630813     -4.881574      8.461572
  H      -3.552947     -4.402727      9.798294
  H      -1.796464     -5.932231      9.035610
  H      -3.313412     -6.822416      9.191750
  H      -3.735101     -6.816849      6.833543
  H      -2.061398     -7.348714      7.039684
  H      -0.378401     -6.255637      5.912674
  H      -1.171701     -3.793006      4.455309
  H       0.022298     -4.983038      3.980053
  H       1.773528     -3.920723      5.277803
  H       0.857234     -2.498399      4.744487
  H      -0.436693     -2.497612      6.863244
  H       1.230607     -2.784144      7.404872
  H       0.855208     -5.192119      7.512204
  H      -0.663629     -4.529124      8.154044
  H      -4.068009     -4.157435      6.161536
  H      -2.566205     -3.234985      5.929710
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.808187281566
  N      -3.257907     -3.638408      2.158004
  C      -3.097025     -4.403069      0.917332
  C      -2.777283     -5.850123      1.265835
  N      -3.743697     -6.345114      2.286043
  C      -5.051292     -6.702750      1.667907
  C      -6.164951     -6.633099      2.705041
  N      -6.016421     -5.396813      3.456453
  Mo     -4.140164     -4.726035      3.610543
  N      -2.878441     -5.725874      4.796626
  C      -2.264315     -6.906156      4.178249
  C      -3.194126     -7.460414      3.109772
  H      -2.079335     -7.714991      4.908352
  H      -1.276891     -6.674771      3.727321
  H      -4.053472     -7.949641      3.589544
  H      -2.682507     -8.201881      2.467885
  H      -7.128994     -6.691420      2.164339
  H      -6.127762     -7.528285      3.357740
  H      -5.242454     -5.959618      0.882048
  H      -4.988125     -7.703316      1.201573
  H      -2.270466     -4.043775      0.280049
  H      -4.001259     -4.360083      0.272668
  H      -1.778362     -5.893354      1.722696
  H      -2.786220     -6.506085      0.375738
  C      -4.330648      3.963277     -0.406986
  C      -4.254799      2.454817     -0.180605
  C      -5.545818      1.876366      0.397571
  C      -5.513033      0.359519      0.586689
  N      -4.414529     -0.116966      1.425656
  C      -4.570601      0.282972      2.820008
  C      -3.366810     -0.134653      3.655696
  C      -3.004843     -1.611999      3.482247
  C      -3.048253     -2.159465      2.045560
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  C      -0.494402     -2.605145      1.684338
  C       0.710864     -1.821402      1.099481
  C       0.103874     -0.557163      0.449859
  C      -1.243800     -0.391779      1.157740
  C      -4.291407     -1.569558      1.340931
  C      -7.815892     -0.262999      8.916966
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  N      -7.523833     -2.588628      5.134742
  C      -7.924188     -2.013873      3.840432
  C      -7.983735     -3.084207      2.745752
  C      -8.313375     -4.438969      3.354587
  C      -7.143933     -4.902286      4.258318
  C      -7.685435     -5.884501      5.339201
  C      -6.580693     -6.572408      6.190201
  C      -6.921401     -8.075815      6.210624
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  C      -8.614049     -7.030633      4.865209
  C      -6.571019     -3.667378      5.005228
  C      -3.643153      0.696070      8.548262
  C      -3.874720     -0.348131      9.642376
  C      -3.150341     -1.677898      9.406451
  C      -3.588339     -2.380012      8.123031
  N      -2.962093     -3.685543      7.922451
  C      -3.578174     -4.721399      8.747068
  C      -2.824836     -6.037434      8.609020
  C      -2.747793     -6.477520      7.145779
  C      -2.322723     -5.376531      6.135174
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  C       0.800358     -3.447503      5.353314
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  C      -0.042698     -4.601440      7.280943
  C      -3.009141     -4.054240      6.510519
  H      -3.390567      4.359347     -0.817986
  H      -4.532405      4.493979      0.536683
  H      -5.138714      4.221344     -1.109354
  H      -3.419859      2.215771      0.496497
  H      -4.026272      1.943192     -1.131880
  H      -5.779272      2.379832      1.350956
  H      -6.389767      2.108862     -0.274542
  H      -6.497548      0.016131      0.985204
  H      -5.391962     -0.116221     -0.400884
  H      -5.498973     -0.164526      3.249365
  H      -4.691654      1.374631      2.873054
  H      -3.590492      0.058058      4.718627
  H      -2.515786      0.510403      3.396980
  H      -3.742674     -2.220941      4.045137
  H      -2.023135     -1.820421      3.935072
  H      -1.970892     -2.123824      0.188668
  H      -0.505026     -3.656517      1.367220
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  H      -0.065220     -0.724898     -0.626623
  H      -1.066710      0.002582      2.170900
  H      -1.941387      0.286789      0.652161
  H      -5.178592     -2.071005      1.796106
  H      -4.269805     -1.849348      0.275221
  H      -8.854380     -0.569872      9.115800
  H      -7.186173     -1.162225      8.988565
  H      -7.506478      0.418130      9.723024
  H      -8.331867      1.311202      7.538743
  H      -6.666185      0.759291      7.390957
  H      -8.260649      0.122450      5.479494
  H      -9.077923     -0.977338      6.599173
  H      -6.135754     -1.087650      5.726332
  H      -6.810231     -2.104437      7.016559
  H      -8.912012     -1.544699      3.968507
  H      -7.221273     -1.208250      3.538193
  H      -8.717858     -2.788628      1.981971
  H      -7.007622     -3.163543      2.239371
  H      -8.494481     -5.192505      2.575001
  H      -9.236478     -4.370792      3.951623
  H      -8.291495     -5.245388      6.004616
  H      -5.583998     -6.378379      5.766260
  H      -6.578374     -6.168054      7.213560
  H      -6.641118     -8.563881      7.155217
  H      -6.381155     -8.599592      5.404499
  H      -8.989079     -7.860736      6.838389
  H      -8.779777     -9.111874      5.594526
  H      -9.658589     -6.703648      4.765887
  H      -8.305028     -7.420949      3.884844
  H      -6.234756     -3.950214      6.011686
  H      -5.644799     -3.304663      4.436599
  H      -4.053533      0.374877      7.579437
  H      -4.122691      1.651916      8.805237
  H      -2.567860      0.887520      8.406131
  H      -4.956203     -0.538309      9.744702
  H      -3.545004      0.064564     10.609484
  H      -2.061016     -1.509909      9.357998
  H      -3.327527     -2.336992     10.271208
  H      -3.320251     -1.753024      7.259072
  H      -4.700976     -2.470485      8.105262
  H      -4.647002     -4.866128      8.451570
  H      -3.576390     -4.391506      9.795965
  H      -1.821614     -5.930252      9.046967
  H      -3.343717     -6.812699      9.195591
  H      -3.750712     -6.810489      6.834950
  H      -2.079945     -7.348075      7.050984
  H      -0.388852     -6.266143      5.930614
  H      -1.158946     -3.798739      4.466685
  H       0.027410     -4.998893      3.998061
  H       1.781258     -3.949689      5.304558
  H       0.879306     -2.520694      4.764778
  H      -0.426158     -2.506322      6.875594
  H       1.235724     -2.805543      7.427412
  H       0.839495     -5.210009      7.538366
  H      -0.678407     -4.533278      8.167625
  H      -4.069265     -4.149488      6.159513
  H      -2.562629     -3.233603      5.930697
146
Coordinates from ORCA-job /scratch/magstr/orcajob__5661701-vy8R/orca E -6353.808203921781
  N      -3.261255     -3.639800      2.160644
  C      -3.096624     -4.406491      0.922024
  C      -2.776977     -5.852866      1.273790
  N      -3.746644     -6.345772      2.291698
  C      -5.052986     -6.701981      1.670310
  C      -6.168346     -6.632500      2.705574
  N      -6.020912     -5.396513      3.457774
  Mo     -4.144534     -4.725149      3.614410
  N      -2.881414     -5.721494      4.801885
  C      -2.269917     -6.904655      4.186553
  C      -3.200912     -7.459862      3.119276
  H      -2.086448     -7.711994      4.918896
  H      -1.282162     -6.676635      3.734651
  H      -4.062170     -7.944624      3.599914
  H      -2.690943     -8.205232      2.480466
  H      -7.131696     -6.690449      2.163562
  H      -6.131837     -7.528022      3.357413
  H      -5.241824     -5.958138      0.884642
  H      -4.989837     -7.702125      1.203096
  H      -2.268354     -4.047747      0.286467
  H      -3.999062     -4.365142      0.274977
  H      -1.779216     -5.895122      1.733209
  H      -2.783243     -6.509984      0.384527
  C      -4.312001      3.964256     -0.400654
  C      -4.239598      2.455215     -0.177060
  C      -5.535404      1.876868      0.390274
  C      -5.505388      0.359737      0.578828
  N      -4.410819     -0.118512      1.421493
  C      -4.571385      0.281559      2.815228
  C      -3.369673     -0.135290      3.654598
  C      -3.007467     -1.612561      3.482655
  C      -3.048847     -2.162001      2.046779
  C      -1.755555     -1.849389      1.241016
  C      -0.500262     -2.630571      1.679297
  C       0.711405     -1.858341      1.093341
  C       0.118938     -0.574612      0.467529
  C      -1.226088     -0.404392      1.179223
  C      -4.289124     -1.571216      1.337734
  C      -7.865353     -0.323088      8.936803
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  C      -6.586672     -6.575754      6.184217
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  C      -6.576733     -3.665755      5.002820
  C      -3.611146      0.721808      8.545942
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  C      -3.153015     -1.660181      9.404769
  C      -3.582591     -2.364164      8.119500
  N      -2.951965     -3.668179      7.921783
  C      -3.561646     -4.703180      8.752973
  C      -2.805685     -6.018264      8.615228
  C      -2.734549     -6.463323      7.152825
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  C      -0.763008     -5.226056      6.040340
  C      -0.315736     -4.366943      4.827592
  C       0.797388     -3.435544      5.326385
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  C      -0.028155     -4.590039      7.261192
  C      -3.003711     -4.042421      6.510875
  H      -3.369016      4.359689     -0.805492
  H      -4.518123      4.493172      0.543042
  H      -5.115763      4.225039     -1.106921
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  H      -4.004366      1.945656     -1.127821
  H      -5.776367      2.379736      1.342184
  H      -6.373709      2.110388     -0.288428
  H      -6.491537      0.017589      0.973876
  H      -5.381872     -0.115540     -0.408694
  H      -5.500078     -0.167105      3.242658
  H      -4.693966      1.373079      2.867576
  H      -3.597302      0.057623      4.716513
  H      -2.517812      0.509814      3.398938
  H      -3.746281     -2.221002      4.044653
  H      -2.026496     -1.820847      3.936966
  H      -1.971885     -2.117876      0.189765
  H      -0.524429     -3.680122      1.356952
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  H       1.427280     -1.604818      1.889839
  H       1.263492     -2.454982      0.353145
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  H      -0.052662     -0.720309     -0.611698
  H      -1.043721     -0.025360      2.197347
  H      -1.916957      0.288130      0.683574
  H      -5.178462     -2.071390      1.790717
  H      -4.264522     -1.851817      0.272326
  H      -8.906079     -0.635267      9.114403
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  H      -7.569357      0.342754      9.760526
  H      -8.362975      1.278809      7.583868
  H      -6.695563      0.729248      7.446620
  H      -8.266427      0.128479      5.502388
  H      -9.096768     -0.991571      6.591721
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  H      -6.820692     -2.112712      7.020150
  H      -8.921123     -1.544138      3.971574
  H      -7.230731     -1.203160      3.542387
  H      -8.722031     -2.782681      1.981287
  H      -7.011741     -3.156108      2.240759
  H      -8.497500     -5.187224      2.568980
  H      -9.241979     -4.369484      3.946437
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  H      -5.590960     -6.377953      5.760034
  H      -6.582936     -6.179450      7.210765
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  H      -8.787299     -9.111016      5.578165
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  H      -4.085962      1.680950      8.799402
  H      -2.531550      0.903187      8.424906
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  H      -3.562729      0.080615     10.605772
  H      -2.062537     -1.497463      9.366627
  H      -3.341866     -2.315384     10.269879
  H      -3.313096     -1.736829      7.256014
  H      -4.694743     -2.457857      8.097270
  H      -4.632033     -4.852055      8.464142
  H      -3.554816     -4.369633      9.800557
  H      -1.800754     -5.907536      9.047754
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  H      -3.737963     -6.801535      6.848644
  H      -2.063982     -7.331787      7.057755
  H      -0.386742     -6.253602      5.912700
  H      -1.172013     -3.782668      4.461102
  H       0.007671     -4.982973      3.976096
  H       1.776838     -3.939467      5.267111
  H       0.871934     -2.508255      4.738021
  H      -0.411150     -2.493161      6.862173
  H       1.255460     -2.797367      7.396329
  H       0.855816     -5.199658      7.509957
  H      -0.655317     -4.521370      8.153748
  H      -4.065359     -4.140298      6.166636
  H      -2.561568     -3.223252      5.925579
