119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.928250818351
  N      -3.093515      4.259245      4.693955
  Mo     -3.836175      2.804065      3.331299
  N      -4.292373      1.174796      4.673833
  C      -3.219656      0.449170      5.338280
  C      -2.070908      1.378296      5.680469
  N      -1.609155      2.093391      4.485895
  C      -0.885865      3.338265      4.788317
  C      -1.831714      4.373652      5.382578
  C      -0.829408      1.250306      3.567002
  C      -1.025750      1.774735      2.143513
  N      -2.442497      1.952573      1.949735
  H      -1.378597      5.376552      5.274772
  H      -1.960623      4.205760      6.469173
  H      -0.483999      3.716881      3.838763
  H      -0.029739      3.150406      5.464107
  H      -0.578903      1.075248      1.418562
  H      -0.513425      2.740264      2.007454
  H      -1.222362      0.226200      3.616523
  H       0.237267      1.220971      3.862526
  H      -3.576593      0.009729      6.286709
  H      -2.862359     -0.400385      4.722213
  H      -2.424399      2.121948      6.407039
  H      -1.243732      0.810931      6.153917
  C      -9.885750      0.341454      7.473959
  C      -8.846751      1.360458      7.894941
  O      -9.148084      2.541727      8.087408
  N      -7.581524      0.850263      8.050300
  C      -6.420818      1.515813      8.465542
  C      -5.237658      0.760390      8.560334
  C      -4.046040      1.359218      8.955227
  C      -4.030064      2.715347      9.259738
  F      -2.837400      3.282563      9.576499
  C      -5.184280      3.501172      9.170615
  C      -5.155620      4.980542      9.414850
  O      -4.489008      5.481171     10.308257
  C      -5.968586      5.844659      8.436929
  C      -5.758404      5.364618      7.023465
  C      -6.818938      4.848735      6.258628
  C      -6.529119      4.156810      5.085423
  N      -5.276934      3.989575      4.656584
  C      -4.243284      4.581934      5.324705
  C      -4.456477      5.277898      6.530130
  C      -6.378709      2.881628      8.773082
  C      -3.474624     -3.445413      8.040171
  C      -3.392381     -3.624405      6.538800
  O      -4.298850     -4.148295      5.892510
  N      -2.243529     -3.127538      5.965409
  C      -1.883365     -3.074809      4.606255
  C      -0.565078     -2.688777      4.306743
  C      -0.141594     -2.582933      2.987443
  C      -1.045384     -2.842477      1.965236
  F      -0.588750     -2.747510      0.685323
  C      -2.366542     -3.219076      2.219474
  C      -3.407492     -3.479002      1.160037
  O      -4.238901     -4.357952      1.328259
  C      -3.476096     -2.534099     -0.040232
  C      -3.835697     -1.159772      0.478277
  C      -5.179094     -0.854460      0.771762
  C      -5.464992      0.331625      1.439981
  N      -4.510089      1.191245      1.809921
  C      -3.208775      0.950103      1.464274
  C      -2.842470     -0.237686      0.794801
  C      -2.769637     -3.351118      3.557819
  C      -6.860204     -6.522994     13.285701
  C      -6.945773     -6.881886     11.815963
  O      -6.943687     -8.049371     11.429979
  N      -7.029878     -5.796746     10.969288
  C      -7.133590     -5.771903      9.567801
  C      -7.223193     -6.932682      8.774573
  C      -7.330479     -6.810739      7.392951
  C      -7.343565     -5.555929      6.796721
  F      -7.461903     -5.512490      5.448159
  C      -7.245893     -4.376873      7.551755
  C      -7.203284     -2.981705      7.014050
  O      -7.147865     -2.042266      7.812287
  C      -7.211752     -2.755386      5.517269
  C      -6.999404     -1.329674      5.090181
  C      -8.058220     -0.557886      4.591928
  C      -7.763835      0.728897      4.141404
  N      -6.550141      1.279604      4.159176
  C      -5.511447      0.563074      4.675328
  C      -5.728714     -0.766403      5.140826
  C      -7.147584     -4.523171      8.944547
  H     -10.318097      0.658171      6.515288
  H      -9.486947     -0.674429      7.369106
  H     -10.693050      0.344169      8.219371
  H      -7.453638     -0.143042      7.824094
  H      -5.262376     -0.301102      8.309091
  H      -3.119096      0.787858      9.016258
  H      -5.635375      6.880835      8.588256
  H      -7.035588      5.792065      8.706651
  H      -7.846654      4.903058      6.616650
  H      -7.305874      3.663433      4.502195
  H      -3.613960      5.672325      7.100168
  H      -7.294572      3.458225      8.690557
  H      -2.518629     -3.175574      8.507501
  H      -4.208089     -2.654059      8.256862
  H      -3.852957     -4.373684      8.486190
  H      -1.547370     -2.761639      6.608611
  H       0.136386     -2.473957      5.116020
  H       0.883108     -2.303762      2.742047
  H      -2.510450     -2.512770     -0.561331
  H      -4.249815     -2.924880     -0.712819
  H      -5.979576     -1.549775      0.520083
  H      -6.483736      0.589250      1.729294
  H      -1.797752     -0.451504      0.572917
  H      -3.791352     -3.655207      3.768126
  H      -5.974953     -7.011990     13.713606
  H      -6.806711     -5.444073     13.480998
  H      -7.741411     -6.934765     13.797188
  H      -7.015345     -4.882777     11.412743
  H      -7.208295     -7.910248      9.248856
  H      -7.404533     -7.695510      6.760256
  H      -8.165531     -3.147211      5.126163
  H      -6.431704     -3.406162      5.093423
  H      -9.071891     -0.955538      4.530794
  H      -8.561981      1.354420      3.723615
  H      -4.898113     -1.379384      5.486819
  H      -7.073001     -3.606113      9.533232
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.926345291800
  N      -3.083862      4.268567      4.729912
  Mo     -3.824219      2.818585      3.328891
  N      -4.311198      1.180722      4.668645
  C      -3.239314      0.439111      5.346179
  C      -2.063467      1.336716      5.719682
  N      -1.558701      2.056800      4.542538
  C      -0.848637      3.307363      4.866864
  C      -1.817912      4.351145      5.441501
  C      -0.790932      1.213760      3.607674
  C      -0.989273      1.743800      2.174086
  N      -2.412455      1.938724      1.947319
  H      -1.352617      5.350067      5.350361
  H      -1.970546      4.180228      6.524338
  H      -0.425081      3.689989      3.928279
  H      -0.007953      3.120371      5.562387
  H      -0.540664      1.042377      1.451858
  H      -0.466026      2.703969      2.043667
  H      -1.194239      0.193843      3.650815
  H       0.276073      1.170713      3.899820
  H      -3.616674      0.000544      6.286528
  H      -2.891110     -0.413967      4.730023
  H      -2.413624      2.080607      6.447607
  H      -1.259639      0.744876      6.202765
  C      -9.925360      0.350899      7.476071
  C      -8.880625      1.372540      7.876686
  O      -9.175817      2.558589      8.048053
  N      -7.617909      0.859544      8.043092
  C      -6.458676      1.526158      8.461065
  C      -5.276614      0.769932      8.565392
  C      -4.088049      1.368788      8.969003
  C      -4.074652      2.724512      9.275512
  F      -2.884781      3.290451      9.605128
  C      -5.227773      3.511294      9.178742
  C      -5.198403      4.989309      9.435431
  O      -4.537188      5.478168     10.339424
  C      -5.995746      5.870570      8.459184
  C      -5.775273      5.406257      7.042777
  C      -6.833039      4.916620      6.258404
  C      -6.541504      4.235379      5.078978
  N      -5.284781      4.046628      4.663391
  C      -4.245126      4.617808      5.359752
  C      -4.466987      5.305498      6.566377
  C      -6.418596      2.892659      8.768401
  C      -3.470992     -3.427158      8.000143
  C      -3.393695     -3.625274      6.500747
  O      -4.306618     -4.147507      5.862757
  N      -2.241730     -3.146522      5.918853
  C      -1.885764     -3.105289      4.557887
  C      -0.562011     -2.741018      4.255479
  C      -0.139447     -2.643091      2.935480
  C      -1.049420     -2.888147      1.915418
  F      -0.593359     -2.801147      0.634669
  C      -2.376364     -3.243041      2.171454
  C      -3.419443     -3.486722      1.109334
  O      -4.263856     -4.354652      1.273462
  C      -3.465625     -2.542117     -0.092932
  C      -3.816792     -1.163512      0.420345
  C      -5.161670     -0.840935      0.686971
  C      -5.449141      0.348615      1.348282
  N      -4.491365      1.196287      1.746513
  C      -3.179653      0.934800      1.425930
  C      -2.817525     -0.253525      0.758320
  C      -2.779039     -3.368918      3.511250
  C      -6.798276     -6.495212     13.308278
  C      -6.888937     -6.859629     11.840202
  O      -6.879144     -8.028324     11.458011
  N      -6.986941     -5.778017     10.990520
  C      -7.098529     -5.758503      9.589585
  C      -7.182155     -6.922464      8.800330
  C      -7.297087     -6.805699      7.418843
  C      -7.323989     -5.552861      6.818978
  F      -7.447241     -5.514162      5.470657
  C      -7.233443     -4.370770      7.570061
  C      -7.204987     -2.977522      7.027128
  O      -7.150861     -2.033774      7.820760
  C      -7.224268     -2.758075      5.529629
  C      -7.020151     -1.333618      5.097638
  C      -8.085341     -0.569935      4.602207
  C      -7.799103      0.716889      4.148588
  N      -6.588430      1.272809      4.161792
  C      -5.539774      0.564625      4.672515
  C      -5.750924     -0.764732      5.141528
  C      -7.126687     -4.511829      8.962735
  H     -10.359757      0.651648      6.513739
  H      -9.531701     -0.668682      7.389131
  H     -10.730687      0.371114      8.223333
  H      -7.491888     -0.137137      7.828823
  H      -5.299449     -0.292275      8.315156
  H      -3.161773      0.797185      9.037854
  H      -5.654012      6.901604      8.626523
  H      -7.065949      5.825343      8.717250
  H      -7.863943      4.982597      6.605023
  H      -7.321129      3.761162      4.484533
  H      -3.627224      5.680689      7.153123
  H      -7.334250      3.468894      8.681264
  H      -2.511253     -3.161685      8.462290
  H      -4.195714     -2.624925      8.208352
  H      -3.858373     -4.345721      8.458467
  H      -1.538792     -2.784728      6.556988
  H       0.144285     -2.536481      5.063248
  H       0.889191     -2.380790      2.687870
  H      -2.493731     -2.532822     -0.602822
  H      -4.235897     -2.924115     -0.774551
  H      -5.965075     -1.526108      0.417503
  H      -6.471133      0.616905      1.614500
  H      -1.771517     -0.480483      0.556504
  H      -3.805368     -3.656302      3.723920
  H      -5.906562     -6.975298     13.732840
  H      -6.752867     -5.415245     13.499806
  H      -7.673126     -6.912761     13.825962
  H      -6.977521     -4.862498     11.430865
  H      -7.156173     -7.898406      9.277460
  H      -7.365970     -7.693002      6.789117
  H      -8.178630     -3.155453      5.145657
  H      -6.444906     -3.406318      5.102429
  H      -9.096854     -0.973676      4.545254
  H      -8.600395      1.337820      3.729897
  H      -4.916756     -1.373791      5.485782
  H      -7.056974     -3.592353      9.548239
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.929620135586
  N      -3.097056      4.266799      4.711843
  Mo     -3.832829      2.797113      3.340761
  N      -4.300325      1.181891      4.678576
  C      -3.220864      0.448772      5.341075
  C      -2.049219      1.353599      5.701254
  N      -1.553697      2.073665      4.523296
  C      -0.859472      3.333171      4.834165
  C      -1.830833      4.367561      5.411158
  C      -0.791190      1.237417      3.583831
  C      -1.012608      1.756457      2.154383
  N      -2.436933      1.930077      1.949592
  H      -1.376298      5.370373      5.311670
  H      -1.973894      4.199839      6.495526
  H      -0.447431      3.714124      3.889509
  H      -0.011453      3.163594      5.525424
  H      -0.564280      1.057168      1.429898
  H      -0.504951      2.723286      2.013020
  H      -1.181577      0.212682      3.639167
  H       0.281066      1.208794      3.857989
  H      -3.586203      0.009016      6.285061
  H      -2.874271     -0.401429      4.720600
  H      -2.396583      2.097211      6.430847
  H      -1.241040      0.764005      6.179673
  C      -9.867052      0.318110      7.476216
  C      -8.837993      1.351325      7.886963
  O      -9.150282      2.531918      8.065269
  N      -7.568565      0.854353      8.051045
  C      -6.416192      1.532965      8.468627
  C      -5.227501      0.787565      8.573355
  C      -4.043654      1.396997      8.974912
  C      -4.041317      2.753521      9.277512
  F      -2.855566      3.330807      9.602339
  C      -5.201525      3.529694      9.179955
  C      -5.185003      5.008428      9.429033
  O      -4.526780      5.509145     10.328735
  C      -5.994073      5.873948      8.449045
  C      -5.777240      5.397514      7.035860
  C      -6.835324      4.897610      6.259401
  C      -6.545119      4.215287      5.079685
  N      -5.290270      4.031197      4.660007
  C      -4.252201      4.605377      5.351115
  C      -4.469963      5.298078      6.553637
  C      -6.387703      2.900146      8.773073
  C      -3.467021     -3.424119      8.030238
  C      -3.390369     -3.615211      6.529995
  O      -4.300437     -4.141343      5.890727
  N      -2.242420     -3.126126      5.948676
  C      -1.888251     -3.082451      4.587562
  C      -0.568136     -2.707998      4.281467
  C      -0.148839     -2.612172      2.960140
  C      -1.058277     -2.870752      1.942758
  F      -0.604331     -2.787539      0.660945
  C      -2.381948     -3.235292      2.203200
  C      -3.426141     -3.497169      1.146973
  O      -4.269029     -4.363188      1.327747
  C      -3.489266     -2.560295     -0.059908
  C      -3.840397     -1.181423      0.451207
  C      -5.183760     -0.858688      0.724198
  C      -5.468994      0.336043      1.377898
  N      -4.509542      1.185673      1.765740
  C      -3.200824      0.918922      1.445360
  C      -2.839840     -0.269224      0.781787
  C      -2.780965     -3.356863      3.544034
  C      -6.848482     -6.525688     13.284797
  C      -6.933881     -6.885155     11.815195
  O      -6.928075     -8.052703     11.429439
  N      -7.022528     -5.800498     10.968377
  C      -7.127355     -5.776322      9.566984
  C      -7.212762     -6.937588      8.774022
  C      -7.321296     -6.816336      7.392431
  C      -7.339272     -5.561738      6.795927
  F      -7.460175     -5.519203      5.447633
  C      -7.245751     -4.382074      7.550747
  C      -7.208394     -2.986870      7.013002
  O      -7.162624     -2.046762      7.811303
  C      -7.213131     -2.760518      5.516168
  C      -7.006404     -1.333570      5.091121
  C      -8.068166     -0.567421      4.592303
  C      -7.779416      0.722135      4.146125
  N      -6.568931      1.278161      4.168070
  C      -5.525630      0.566600      4.681616
  C      -5.737717     -0.764631      5.144091
  C      -7.146785     -4.527747      8.943575
  H     -10.303927      0.620804      6.515208
  H      -9.458418     -0.694939      7.381390
  H     -10.673720      0.320375      8.222316
  H      -7.430291     -0.139400      7.833226
  H      -5.242166     -0.275032      8.326332
  H      -3.112517      0.833379      9.044023
  H      -5.660185      6.909346      8.605122
  H      -7.062480      5.821976      8.713060
  H      -7.865005      4.958799      6.610652
  H      -7.324456      3.734874      4.489203
  H      -3.628725      5.683817      7.131534
  H      -7.307679      3.469146      8.682711
  H      -2.508456     -3.154422      8.492385
  H      -4.196312     -2.627769      8.242615
  H      -3.847978     -4.347041      8.485105
  H      -1.541795     -2.759485      6.586605
  H       0.138067     -2.495182      5.087154
  H       0.877261     -2.342967      2.709464
  H      -2.523048     -2.548858     -0.580123
  H      -4.264984     -2.949571     -0.731099
  H      -5.987867     -1.547121      0.465172
  H      -6.489695      0.604379      1.651133
  H      -1.794523     -0.493401      0.572699
  H      -3.803959     -3.652805      3.759897
  H      -5.961167     -7.011419     13.712146
  H      -6.798742     -5.446550     13.479854
  H      -7.727835     -6.940549     13.796986
  H      -7.010619     -4.886343     11.411530
  H      -7.193958     -7.914998      9.248493
  H      -7.392667     -7.701504      6.759985
  H      -8.163861     -3.156503      5.121887
  H      -6.429046     -3.407193      5.093726
  H      -9.079375     -0.970770      4.527817
  H      -8.579043      1.345614      3.728349
  H      -4.905048     -1.375684      5.487877
  H      -7.075563     -3.610289      9.532072
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.928867698170
  N      -3.079014      4.234276      4.738529
  Mo     -3.808850      2.771745      3.386109
  N      -4.255635      1.189771      4.678387
  C      -3.178416      0.456597      5.318152
  C      -2.014379      1.359441      5.674691
  N      -1.525823      2.086942      4.506801
  C      -0.846742      3.345488      4.816828
  C      -1.814416      4.351856      5.419248
  C      -0.771901      1.272394      3.555086
  C      -1.018006      1.803239      2.145787
  N      -2.439239      1.954146      1.979105
  H      -1.375817      5.362324      5.325892
  H      -1.939612      4.168118      6.503289
  H      -0.451634      3.738255      3.869332
  H       0.012024      3.186323      5.498170
  H      -0.572418      1.119154      1.404725
  H      -0.528319      2.780069      2.008332
  H      -1.148039      0.241544      3.609292
  H       0.306658      1.255281      3.806037
  H      -3.536333      0.008478      6.261540
  H      -2.835000     -0.386030      4.686321
  H      -2.357272      2.096950      6.412861
  H      -1.206177      0.762386      6.144442
  C     -10.090350      0.447075      7.322768
  C      -9.000377      1.392897      7.782466
  O      -9.247612      2.569712      8.059688
  N      -7.754143      0.823340      7.874380
  C      -6.560693      1.415046      8.309610
  C      -5.405837      0.611548      8.334899
  C      -4.187301      1.137277      8.752364
  C      -4.115053      2.468410      9.147621
  F      -2.897092      2.967498      9.482148
  C      -5.239166      3.301706      9.126773
  C      -5.155302      4.761275      9.463394
  O      -4.472570      5.185009     10.384186
  C      -5.945829      5.702309      8.539838
  C      -5.739606      5.286131      7.106966
  C      -6.798865      4.808538      6.321234
  C      -6.507735      4.151498      5.126845
  N      -5.254970      3.981141      4.702810
  C      -4.222087      4.544457      5.395262
  C      -4.433350      5.205936      6.612297
  C      -6.461072      2.755036      8.705557
  C      -3.441065     -3.432859      8.036792
  C      -3.368072     -3.610666      6.534992
  O      -4.278421     -4.134502      5.893843
  N      -2.222921     -3.113052      5.955238
  C      -1.872017     -3.060639      4.593633
  C      -0.554512     -2.679190      4.284194
  C      -0.140785     -2.577002      2.961333
  C      -1.053501     -2.834780      1.946566
  F      -0.605536     -2.743372      0.663075
  C      -2.375191     -3.203390      2.211154
  C      -3.427265     -3.459830      1.162475
  O      -4.266478     -4.329607      1.344843
  C      -3.500012     -2.520902     -0.041961
  C      -3.849030     -1.147308      0.482826
  C      -5.189127     -0.827916      0.772289
  C      -5.468702      0.361657      1.438713
  N      -4.504950      1.207634      1.819512
  C      -3.202719      0.944350      1.484302
  C      -2.845114     -0.234561      0.811268
  C      -2.767443     -3.333107      3.552854
  C      -6.781783     -6.399103     13.356846
  C      -6.879006     -6.773201     11.891623
  O      -6.885947     -7.944768     11.518247
  N      -6.962792     -5.696727     11.033954
  C      -7.076162     -5.686420      9.632872
  C      -7.178346     -6.855372      8.853233
  C      -7.296679     -6.748119      7.471239
  C      -7.308580     -5.499946      6.861313
  F      -7.438466     -5.470255      5.513395
  C      -7.197690     -4.313260      7.602235
  C      -7.154202     -2.925094      7.047567
  O      -7.082917     -1.975749      7.833514
  C      -7.180362     -2.717222      5.547927
  C      -6.968398     -1.296304      5.106569
  C      -8.027381     -0.520747      4.616731
  C      -7.731815      0.767223      4.166763
  N      -6.516020      1.313739      4.176638
  C      -5.479745      0.587933      4.678348
  C      -5.695409     -0.739404      5.142630
  C      -7.087894     -4.444527      8.995797
  H     -10.532637      0.846221      6.399616
  H      -9.736636     -0.573956      7.138943
  H     -10.877916      0.430902      8.089005
  H      -7.672863     -0.157557      7.580934
  H      -5.474281     -0.429292      8.013867
  H      -3.282345      0.528663      8.761252
  H      -5.591320      6.721958      8.746446
  H      -7.013909      5.655609      8.806084
  H      -7.827188      4.853415      6.679110
  H      -7.285286      3.680289      4.526136
  H      -3.589423      5.580970      7.193401
  H      -7.354583      3.370833      8.673057
  H      -2.482189     -3.163667      8.498589
  H      -4.172902     -2.641404      8.258257
  H      -3.816797     -4.361312      8.484153
  H      -1.522112     -2.748347      6.594069
  H       0.154072     -2.467376      5.088054
  H       0.883274     -2.303006      2.707542
  H      -2.538807     -2.503622     -0.571602
  H      -4.280855     -2.909598     -0.707304
  H      -5.995120     -1.515988      0.517899
  H      -6.486347      0.627417      1.726674
  H      -1.801313     -0.452355      0.588273
  H      -3.788827     -3.632818      3.771385
  H      -5.896376     -6.888292     13.784215
  H      -6.721271     -5.318463     13.540238
  H      -7.661816     -6.800641     13.878398
  H      -6.940505     -4.778217     11.467679
  H      -7.165118     -7.827702      9.338185
  H      -7.381020     -7.639390      6.849042
  H      -8.140825     -3.108211      5.172810
  H      -6.407947     -3.376206      5.121375
  H      -9.043204     -0.914018      4.565185
  H      -8.531666      1.397930      3.760898
  H      -4.864659     -1.354890      5.483411
  H      -7.004071     -3.521353      9.573562
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.930750643269
  N      -3.125175      4.235172      4.678207
  Mo     -3.845706      2.743967      3.363130
  N      -4.307692      1.199071      4.660239
  C      -3.234235      0.475326      5.317538
  C      -2.074145      1.384467      5.669157
  N      -1.574150      2.090371      4.492124
  C      -0.894476      3.353434      4.779582
  C      -1.862487      4.370285      5.360706
  C      -0.816859      1.258759      3.557948
  C      -1.061596      1.766489      2.139876
  N      -2.483406      1.912106      1.975144
  H      -1.424195      5.379663      5.249597
  H      -1.989190      4.206859      6.448401
  H      -0.496313      3.727003      3.825712
  H      -0.036792      3.207994      5.466202
  H      -0.614882      1.071513      1.409084
  H      -0.573204      2.742145      1.986819
  H      -1.190765      0.227512      3.630411
  H       0.261932      1.247265      3.810240
  H      -3.599149      0.037977      6.264272
  H      -2.884372     -0.374605      4.698672
  H      -2.421069      2.133976      6.393269
  H      -1.271717      0.792317      6.155816
  C      -9.708641      0.255587      7.553543
  C      -8.705407      1.313504      7.964147
  O      -9.039764      2.492993      8.106369
  N      -7.430353      0.844096      8.161932
  C      -6.299020      1.561775      8.570775
  C      -5.088428      0.856672      8.702909
  C      -3.925941      1.512846      9.092933
  C      -3.965373      2.877883      9.350613
  F      -2.799420      3.501525      9.661400
  C      -5.147404      3.614413      9.220069
  C      -5.179427      5.100100      9.411636
  O      -4.534630      5.658934     10.286492
  C      -6.017176      5.895817      8.395681
  C      -5.798169      5.366267      7.000789
  C      -6.850988      4.843916      6.234723
  C      -6.554572      4.149759      5.061791
  N      -5.300310      3.976259      4.641290
  C      -4.272134      4.559209      5.323268
  C      -4.489494      5.260357      6.517847
  C      -6.312544      2.936785      8.832310
  C      -3.382916     -3.388651      8.121800
  C      -3.344713     -3.568478      6.618732
  O      -4.278647     -4.075469      5.997530
  N      -2.201063     -3.094060      6.015614
  C      -1.868065     -3.063226      4.648242
  C      -0.552870     -2.693650      4.314678
  C      -0.156958     -2.615899      2.984438
  C      -1.084592     -2.886313      1.986567
  F      -0.654708     -2.818469      0.695395
  C      -2.404116     -3.243153      2.275148
  C      -3.473075     -3.510313      1.246741
  O      -4.308467     -4.380322      1.448959
  C      -3.553823     -2.592735      0.027325
  C      -3.902586     -1.212548      0.534174
  C      -5.241554     -0.883122      0.816617
  C      -5.517902      0.317729      1.464893
  N      -4.551384      1.168403      1.831034
  C      -3.250442      0.892915      1.502407
  C      -2.896052     -0.298688      0.852445
  C      -2.778108     -3.347177      3.623751
  C      -6.953725     -6.556203     13.191061
  C      -7.027473     -6.915298     11.720709
  O      -7.030356     -8.083058     11.335495
  N      -7.094928     -5.829987     10.872797
  C      -7.184804     -5.804835      9.470244
  C      -7.276050     -6.965105      8.676602
  C      -7.372222     -6.842476      7.294185
  C      -7.370457     -5.587869      6.697495
  F      -7.487753     -5.544155      5.348919
  C      -7.267088     -4.409249      7.452617
  C      -7.211313     -3.013729      6.917335
  O      -7.182329     -2.074652      7.718137
  C      -7.178757     -2.780198      5.421781
  C      -6.984116     -1.345165      5.013661
  C      -8.047980     -0.586958      4.507174
  C      -7.774001      0.715872      4.088995
  N      -6.570740      1.289239      4.130011
  C      -5.528631      0.581272      4.645470
  C      -5.726646     -0.755221      5.095515
  C      -7.183394     -4.556234      8.846505
  H     -10.122602      0.530311      6.573284
  H      -9.283429     -0.752682      7.493171
  H     -10.534527      0.263398      8.278410
  H      -7.270946     -0.154185      7.979223
  H      -5.067279     -0.209914      8.478734
  H      -2.978576      0.980067      9.183024
  H      -5.711155      6.945918      8.502848
  H      -7.082240      5.828793      8.669516
  H      -7.882260      4.908918      6.580700
  H      -7.329998      3.664570      4.470512
  H      -3.649412      5.664893      7.084272
  H      -7.248294      3.475032      8.719900
  H      -2.409489     -3.137858      8.563035
  H      -4.094582     -2.584230      8.359584
  H      -3.766417     -4.309982      8.577388
  H      -1.484836     -2.734562      6.640102
  H       0.167856     -2.472513      5.105156
  H       0.864791     -2.351180      2.712104
  H      -2.594962     -2.581485     -0.507407
  H      -4.337309     -2.993095     -0.627833
  H      -6.050134     -1.570595      0.568869
  H      -6.535012      0.593270      1.742282
  H      -1.852778     -0.523032      0.634512
  H      -3.797234     -3.636061      3.859510
  H      -6.076377     -7.051448     13.627973
  H      -6.894268     -5.477592     13.386373
  H      -7.842967     -6.961242     13.693946
  H      -7.078012     -4.916051     11.316211
  H      -7.273362     -7.942609      9.151157
  H      -7.450814     -7.726684      6.661241
  H      -8.115103     -3.183812      5.001764
  H      -6.375232     -3.415669      5.016494
  H      -9.052309     -1.003258      4.422912
  H      -8.581062      1.334410      3.678738
  H      -4.889303     -1.355959      5.446985
  H      -7.107337     -3.639660      9.435727
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.932534283266
  N      -3.097264      4.239654      4.679965
  Mo     -3.809988      2.741156      3.368816
  N      -4.278326      1.190068      4.667037
  C      -3.197700      0.463134      5.319212
  C      -2.034908      1.375860      5.667457
  N      -1.539882      2.090333      4.489084
  C      -0.861198      3.358035      4.781431
  C      -1.833537      4.375754      5.366295
  C      -0.781032      1.260881      3.547599
  C      -1.031358      1.771158      2.126559
  N      -2.457101      1.917105      1.965179
  H      -1.397753      5.386513      5.259044
  H      -1.961274      4.209012      6.453190
  H      -0.464611      3.736420      3.829072
  H      -0.002027      3.210288      5.465335
  H      -0.586252      1.079099      1.392387
  H      -0.544595      2.747506      1.974789
  H      -1.152057      0.229362      3.617439
  H       0.297665      1.251206      3.799207
  H      -3.555234      0.023216      6.266863
  H      -2.850886     -0.385030      4.695870
  H      -2.379194      2.121273      6.396550
  H      -1.228714      0.784501      6.148467
  C      -9.841087      0.326032      7.525299
  C      -8.808961      1.360003      7.925840
  O      -9.117574      2.544456      8.083790
  N      -7.541298      0.861623      8.105607
  C      -6.390465      1.548517      8.516122
  C      -5.194732      0.815213      8.632382
  C      -4.016815      1.439440      9.029287
  C      -4.025113      2.800458      9.309923
  F      -2.844662      3.392997      9.626496
  C      -5.190796      3.564759      9.194034
  C      -5.190270      5.048253      9.402783
  O      -4.540144      5.583347     10.288486
  C      -6.009675      5.871493      8.394953
  C      -5.787182      5.359153      6.994600
  C      -6.837691      4.846273      6.217175
  C      -6.538371      4.156174      5.042049
  N      -5.281236      3.979397      4.627115
  C      -4.251790      4.556421      5.324043
  C      -4.476097      5.253310      6.520230
  C      -6.371581      2.919404      8.798893
  C      -3.395805     -3.378024      8.108141
  C      -3.354611     -3.558938      6.605257
  O      -4.288018     -4.064338      5.982768
  N      -2.209077     -3.088637      6.003616
  C      -1.873851     -3.059016      4.636892
  C      -0.555973     -2.695851      4.307685
  C      -0.155522     -2.619986      2.978845
  C      -1.081022     -2.885607      1.977778
  F      -0.644928     -2.821605      0.688456
  C      -2.403888     -3.235578      2.261323
  C      -3.467933     -3.502757      1.227235
  O      -4.323406     -4.350279      1.441302
  C      -3.543885     -2.582083      0.009427
  C      -3.884081     -1.199090      0.515915
  C      -5.222096     -0.857247      0.787931
  C      -5.493805      0.345156      1.434775
  N      -4.523959      1.188070      1.813588
  C      -3.224082      0.899677      1.493750
  C      -2.873683     -0.293092      0.841605
  C      -2.782645     -3.338341      3.609419
  C      -6.898249     -6.594012     13.221510
  C      -6.985261     -6.941812     11.749135
  O      -6.998929     -8.106679     11.355476
  N      -7.051957     -5.849900     10.909770
  C      -7.152911     -5.813712      9.508206
  C      -7.259383     -6.967424      8.706917
  C      -7.365714     -6.833876      7.326218
  C      -7.360722     -5.574825      6.739062
  F      -7.482114     -5.519774      5.391061
  C      -7.243598     -4.402631      7.501971
  C      -7.183895     -3.004339      6.975137
  O      -7.125995     -2.071680      7.781262
  C      -7.185617     -2.763737      5.479492
  C      -6.980200     -1.331409      5.067586
  C      -8.044879     -0.559340      4.583314
  C      -7.762803      0.739668      4.160093
  N      -6.552449      1.298181      4.179674
  C      -5.507404      0.577977      4.670860
  C      -5.713020     -0.758240      5.121286
  C      -7.147349     -4.560487      8.893788
  H     -10.267714      0.615960      6.555773
  H      -9.438441     -0.690700      7.450424
  H     -10.653551      0.346008      8.264744
  H      -7.405782     -0.135383      7.905552
  H      -5.196866     -0.248508      8.393105
  H      -3.081441      0.884226      9.108400
  H      -5.689771      6.915566      8.519756
  H      -7.077448      5.814805      8.660487
  H      -7.870100      4.909029      6.560011
  H      -7.313151      3.673097      4.448494
  H      -3.639247      5.653681      7.094462
  H      -7.294782      3.480684      8.696464
  H      -2.423081     -3.128188      8.551474
  H      -4.107079     -2.572482      8.343883
  H      -3.781430     -4.298817      8.563278
  H      -1.492103     -2.732436      6.629145
  H       0.163444     -2.478853      5.100490
  H       0.868679     -2.361249      2.709981
  H      -2.585494     -2.577579     -0.525108
  H      -4.330366     -2.976011     -0.646236
  H      -6.034832     -1.537015      0.532683
  H      -6.510967      0.627582      1.703185
  H      -1.830692     -0.523516      0.627731
  H      -3.803917     -3.624704      3.842258
  H      -6.020924     -7.098112     13.648219
  H      -6.830309     -5.517274     13.424229
  H      -7.786349     -6.996962     13.728087
  H      -7.025851     -4.939417     11.359767
  H      -7.259212     -7.948449      9.174178
  H      -7.454108     -7.712831      6.687260
  H      -8.137001     -3.153391      5.080753
  H      -6.401591     -3.408187      5.052582
  H      -9.056005     -0.962976      4.518585
  H      -8.568362      1.368365      3.762128
  H      -4.877295     -1.369979      5.455499
  H      -7.059989     -3.648845      9.489083
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.934305865450
  N      -3.066263      4.242212      4.700585
  Mo     -3.772120      2.745325      3.394225
  N      -4.259717      1.197821      4.674821
  C      -3.177862      0.464301      5.324242
  C      -2.013967      1.376090      5.671630
  N      -1.521050      2.094969      4.492383
  C      -0.834105      3.359029      4.793254
  C      -1.803214      4.374709      5.390588
  C      -0.761976      1.266430      3.546015
  C      -1.013322      1.785859      2.126657
  N      -2.440549      1.938906      1.974437
  H      -1.368191      5.386357      5.292285
  H      -1.930070      4.198072      6.475944
  H      -0.439182      3.744345      3.843243
  H       0.026685      3.199758      5.471769
  H      -0.574175      1.098105      1.385273
  H      -0.524190      2.761582      1.980405
  H      -1.134276      0.235576      3.610819
  H       0.315811      1.254427      3.799288
  H      -3.530695      0.020159      6.270559
  H      -2.833385     -0.380676      4.695677
  H      -2.354180      2.119222      6.404746
  H      -1.206937      0.782571      6.148009
  C      -9.929067      0.343949      7.427978
  C      -8.885723      1.362466      7.839396
  O      -9.183752      2.545724      8.023197
  N      -7.621792      0.847618      8.001611
  C      -6.458709      1.506000      8.425602
  C      -5.277761      0.746753      8.522596
  C      -4.087480      1.338214      8.933191
  C      -4.069241      2.691342      9.251122
  F      -2.877998      3.251477      9.585095
  C      -5.220077      3.481106      9.157712
  C      -5.193654      4.958923      9.408550
  O      -4.536563      5.459555     10.309203
  C      -5.997233      5.820235      8.421080
  C      -5.770047      5.337475      7.012437
  C      -6.817779      4.847049      6.217850
  C      -6.514127      4.169011      5.037208
  N      -5.254594      3.987279      4.629425
  C      -4.226621      4.551618      5.342317
  C      -4.456142      5.232346      6.546148
  C      -6.413020      2.869084      8.744426
  C      -3.383771     -3.385867      8.111570
  C      -3.341983     -3.575625      6.609901
  O      -4.274346     -4.087176      5.991751
  N      -2.201648     -3.101934      6.002357
  C      -1.876887     -3.067612      4.633236
  C      -0.561423     -2.703242      4.295715
  C      -0.172347     -2.619341      2.963891
  C      -1.107241     -2.874313      1.968802
  F      -0.682381     -2.797916      0.676262
  C      -2.429457     -3.221623      2.260353
  C      -3.505068     -3.469666      1.233332
  O      -4.367955     -4.310311      1.448673
  C      -3.575746     -2.547276      0.015591
  C      -3.901602     -1.161378      0.524138
  C      -5.235619     -0.803195      0.797220
  C      -5.493843      0.398766      1.449525
  N      -4.514525      1.231700      1.830734
  C      -3.219107      0.929214      1.504843
  C      -2.881540     -0.266343      0.851025
  C      -2.795171     -3.337849      3.611644
  C      -6.853931     -6.561478     13.265990
  C      -6.949140     -6.912431     11.794784
  O      -6.967285     -8.078221     11.403993
  N      -7.017501     -5.822361     10.953315
  C      -7.125184     -5.788808      9.552125
  C      -7.238283     -6.943825      8.753744
  C      -7.349210     -6.812506      7.373119
  C      -7.343120     -5.554463      6.783784
  F      -7.465204     -5.501116      5.435379
  C      -7.221189     -4.381102      7.543953
  C      -7.161425     -2.984270      7.013400
  O      -7.096221     -2.050165      7.816979
  C      -7.169504     -2.751428      5.515471
  C      -6.963162     -1.323929      5.090900
  C      -8.027417     -0.556073      4.598396
  C      -7.743490      0.736387      4.158409
  N      -6.533512      1.294990      4.177494
  C      -5.490629      0.581242      4.678340
  C      -5.695371     -0.751431      5.137428
  C      -7.119180     -4.536685      8.935448
  H     -10.364712      0.655587      6.469949
  H      -9.534646     -0.674651      7.329026
  H     -10.733672      0.355091      8.175940
  H      -7.499922     -0.142697      7.772514
  H      -5.301782     -0.312873      8.262131
  H      -3.163530      0.762433      8.998627
  H      -5.667111      6.857736      8.572557
  H      -7.066940      5.767738      8.679826
  H      -7.852207      4.909774      6.554681
  H      -7.288555      3.698423      4.434077
  H      -3.621472      5.618998      7.132984
  H      -7.325124      3.450806      8.657629
  H      -2.412856     -3.126481      8.553421
  H      -4.101541     -2.583858      8.342178
  H      -3.762771     -4.306963      8.571951
  H      -1.481353     -2.745260      6.623779
  H       0.164952     -2.492490      5.083857
  H       0.850004     -2.360474      2.688090
  H      -2.619568     -2.550770     -0.522482
  H      -4.368322     -2.932998     -0.637721
  H      -6.056592     -1.472336      0.540249
  H      -6.508308      0.689971      1.719730
  H      -1.840838     -0.507204      0.637079
  H      -3.816071     -3.622643      3.851195
  H      -5.975515     -7.066472     13.689379
  H      -6.782703     -5.484430     13.466002
  H      -7.740285     -6.961413     13.777988
  H      -6.987251     -4.910961     11.401149
  H      -7.238207     -7.923985      9.222824
  H      -7.441177     -7.692436      6.735985
  H      -8.122110     -3.142830      5.121500
  H      -6.388210     -3.398398      5.089831
  H      -9.038598     -0.960276      4.535526
  H      -8.546113      1.360839      3.747627
  H      -4.860608     -1.359287      5.480499
  H      -7.026973     -3.624178      9.528690
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.936054762580
  N      -3.047757      4.242628      4.690019
  Mo     -3.732988      2.738641      3.397958
  N      -4.243121      1.207951      4.666547
  C      -3.162176      0.471699      5.316874
  C      -2.003924      1.388913      5.658947
  N      -1.517906      2.108354      4.475459
  C      -0.823220      3.368847      4.781041
  C      -1.789642      4.380671      5.385647
  C      -0.748069      1.278444      3.536652
  C      -0.993144      1.799222      2.118604
  N      -2.419447      1.952617      1.973678
  H      -1.358793      5.394163      5.291917
  H      -1.916320      4.198380      6.470119
  H      -0.429268      3.757300      3.832115
  H       0.038038      3.199958      5.455618
  H      -0.555506      1.113474      1.374747
  H      -0.504959      2.775659      1.974856
  H      -1.118055      0.246622      3.600531
  H       0.326692      1.270793      3.799989
  H      -3.510406      0.029183      6.265586
  H      -2.818047     -0.373193      4.688545
  H      -2.344604      2.131990      6.391639
  H      -1.192326      0.800719      6.133439
  C      -9.938929      0.312999      7.435078
  C      -8.892797      1.339410      7.819676
  O      -9.188353      2.526139      7.982951
  N      -7.628807      0.826766      7.984668
  C      -6.465822      1.487902      8.400472
  C      -5.285235      0.728851      8.498815
  C      -4.094785      1.322997      8.905401
  C      -4.077497      2.677095      9.220904
  F      -2.886787      3.238870      9.553869
  C      -5.229043      3.466053      9.127167
  C      -5.206648      4.944539      9.377993
  O      -4.552893      5.448117     10.279436
  C      -6.012889      5.801248      8.388696
  C      -5.774689      5.318657      6.982467
  C      -6.813361      4.828345      6.177880
  C      -6.496694      4.153284      4.999617
  N      -5.233492      3.976907      4.600089
  C      -4.215365      4.542608      5.322111
  C      -4.456741      5.215295      6.527313
  C      -6.421294      2.851944      8.714440
  C      -3.400682     -3.402504      8.118703
  C      -3.352409     -3.588280      6.617023
  O      -4.277326     -4.109937      5.996090
  N      -2.214724     -3.104696      6.012958
  C      -1.889164     -3.065393      4.644157
  C      -0.574689     -2.695734      4.308007
  C      -0.186189     -2.608673      2.976044
  C      -1.120575     -2.863124      1.980473
  F      -0.694397     -2.784150      0.688302
  C      -2.443141     -3.212115      2.270628
  C      -3.521044     -3.454583      1.245548
  O      -4.393211     -4.285479      1.466586
  C      -3.590117     -2.531863      0.028040
  C      -3.906832     -1.144842      0.539028
  C      -5.238022     -0.772313      0.809871
  C      -5.486894      0.430852      1.462288
  N      -4.500629      1.257523      1.844068
  C      -3.208627      0.943875      1.513497
  C      -2.879896     -0.257249      0.867157
  C      -2.806747     -3.334553      3.622192
  C      -6.854519     -6.592759     13.270198
  C      -6.957218     -6.933527     11.797013
  O      -6.991182     -8.096709     11.399439
  N      -7.013009     -5.837718     10.962314
  C      -7.123282     -5.794335      9.561363
  C      -7.255496     -6.943015      8.757005
  C      -7.369931     -6.801900      7.377511
  C      -7.348366     -5.540695      6.795550
  F      -7.475785     -5.478008      5.447689
  C      -7.206327     -4.373299      7.561611
  C      -7.133430     -2.973736      7.039609
  O      -7.050155     -2.045576      7.848753
  C      -7.157200     -2.731254      5.543098
  C      -6.950530     -1.302961      5.123263
  C      -8.018902     -0.530172      4.646873
  C      -7.737395      0.762058      4.206112
  N      -6.524508      1.314713      4.206386
  C      -5.478473      0.595598      4.688192
  C      -5.680658     -0.734080      5.153924
  C      -7.101069     -4.538781      8.951873
  H     -10.384974      0.606753      6.476231
  H      -9.545125     -0.707282      7.351198
  H     -10.736493      0.337178      8.190339
  H      -7.506916     -0.166313      7.766372
  H      -5.309924     -0.332436      8.243697
  H      -3.170392      0.747913      8.971679
  H      -5.691026      6.841425      8.539670
  H      -7.083170      5.741545      8.643721
  H      -7.851290      4.888246      6.504558
  H      -7.265797      3.682504      4.389894
  H      -3.627648      5.600705      7.122870
  H      -7.334561      3.432326      8.627855
  H      -2.434857     -3.130841      8.564441
  H      -4.131019     -2.611606      8.348658
  H      -3.767785     -4.330273      8.574957
  H      -1.496985     -2.745984      6.636182
  H       0.151258     -2.485378      5.096642
  H       0.835776     -2.347754      2.700604
  H      -2.636162     -2.539045     -0.513767
  H      -4.387230     -2.912749     -0.622586
  H      -6.065529     -1.432122      0.549618
  H      -6.499484      0.730998      1.727849
  H      -1.840632     -0.505380      0.655191
  H      -3.827040     -3.622223      3.860681
  H      -5.981789     -7.111566     13.688624
  H      -6.769042     -5.517955     13.476676
  H      -7.744872     -6.984409     13.781655
  H      -6.970964     -4.929569     11.415851
  H      -7.268147     -7.925760      9.220437
  H      -7.477334     -7.676636      6.735655
  H      -8.115584     -3.115761      5.156764
  H      -6.383543     -3.378747      5.104697
  H      -9.031974     -0.931195      4.596406
  H      -8.542426      1.390227      3.805827
  H      -4.843457     -1.344541      5.486831
  H      -6.994654     -3.631216      9.550301
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.924329668440
  N      -3.030233      4.207513      4.750374
  Mo     -3.757671      2.701908      3.497645
  N      -4.219457      1.174970      4.750507
  C      -3.122797      0.431226      5.350002
  C      -1.953051      1.350977      5.633007
  N      -1.548852      2.075604      4.408780
  C      -0.810515      3.307249      4.684530
  C      -1.723456      4.308147      5.368647
  C      -0.830622      1.262913      3.403691
  C      -1.157581      1.848821      1.985998
  N      -2.589446      1.992560      1.955610
  H      -1.286349      5.317489      5.263433
  H      -1.783386      4.105366      6.455216
  H      -0.474234      3.710960      3.720117
  H       0.090417      3.103620      5.293059
  H      -0.771531      1.182682      1.197318
  H      -0.680862      2.829349      1.832620
  H      -1.195611      0.229078      3.460412
  H       0.255406      1.252142      3.611442
  H      -3.432265     -0.024676      6.310304
  H      -2.802993     -0.404501      4.697610
  H      -2.244174      2.094391      6.386073
  H      -1.113182      0.762782      6.053961
  C     -10.133292      0.461256      7.262109
  C      -8.992488      1.398576      7.623853
  O      -9.175222      2.611355      7.776945
  N      -7.769058      0.793528      7.791277
  C      -6.584345      1.391724      8.235460
  C      -5.429416      0.589337      8.327205
  C      -4.232257      1.132175      8.777078
  C      -4.183249      2.470208      9.147551
  F      -2.983327      2.979876      9.528590
  C      -5.305478      3.302441      9.064932
  C      -5.211947      4.764498      9.395449
  O      -4.544385      5.166492     10.336845
  C      -5.930941      5.750977      8.461028
  C      -5.686337      5.340586      7.040155
  C      -6.728703      5.014277      6.140567
  C      -6.434309      4.398817      4.914278
  N      -5.166082      4.115334      4.581781
  C      -4.172031      4.513215      5.429681
  C      -4.365566      5.144276      6.647229
  C      -6.505421      2.745080      8.598933
  C      -3.405710     -3.417745      8.132232
  C      -3.311255     -3.582396      6.629937
  O      -4.214132     -4.107489      5.975843
  N      -2.162581     -3.074752      6.062879
  C      -1.808478     -3.016894      4.701495
  C      -0.496250     -2.624360      4.377920
  C      -0.100764     -2.520506      3.045633
  C      -1.025132     -2.780875      2.039484
  F      -0.592853     -2.687393      0.749961
  C      -2.342214     -3.152289      2.324431
  C      -3.442239     -3.410240      1.335003
  O      -4.289507     -4.253448      1.606609
  C      -3.613198     -2.517947      0.104985
  C      -3.947337     -1.146766      0.642602
  C      -5.284293     -0.850492      1.021048
  C      -5.567852      0.332872      1.702408
  N      -4.593696      1.191645      2.019711
  C      -3.326127      0.964292      1.562689
  C      -2.941243     -0.189851      0.880336
  C      -2.709176     -3.290973      3.672781
  C      -6.823364     -6.582995     13.285916
  C      -6.908737     -6.919266     11.810500
  O      -6.918667     -8.081351     11.408228
  N      -6.977868     -5.821228     10.979981
  C      -7.077604     -5.773005      9.578557
  C      -7.182784     -6.919709      8.766743
  C      -7.286290     -6.772648      7.386367
  C      -7.280796     -5.507791      6.812767
  F      -7.393089     -5.434092      5.462828
  C      -7.167666     -4.343735      7.586776
  C      -7.115756     -2.946371      7.064057
  O      -7.049959     -2.003066      7.862614
  C      -7.129813     -2.719525      5.569101
  C      -6.939861     -1.291037      5.163396
  C      -7.995559     -0.501636      4.675766
  C      -7.687817      0.797146      4.261615
  N      -6.472052      1.326406      4.297274
  C      -5.452129      0.584259      4.782630
  C      -5.670011     -0.740021      5.223992
  C      -7.072143     -4.513735      8.976784
  H     -10.583867      0.770349      6.314850
  H      -9.831194     -0.590202      7.187990
  H     -10.910524      0.564868      8.032063
  H      -7.699321     -0.209565      7.566707
  H      -5.475697     -0.460993      8.033328
  H      -3.326328      0.527871      8.839102
  H      -5.526684      6.745024      8.699061
  H      -7.010811      5.770444      8.679091
  H      -7.770284      5.155893      6.428140
  H      -7.231596      4.044764      4.264915
  H      -3.524512      5.436005      7.278278
  H      -7.399561      3.355847      8.518930
  H      -2.457889     -3.137208      8.610076
  H      -4.155845     -2.641530      8.349827
  H      -3.771644     -4.357138      8.565897
  H      -1.465126     -2.713649      6.707387
  H       0.221087     -2.408911      5.173010
  H       0.919018     -2.242283      2.779024
  H      -2.707174     -2.484524     -0.513029
  H      -4.438596     -2.947540     -0.476304
  H      -6.086865     -1.558963      0.816393
  H      -6.573055      0.575490      2.043291
  H      -1.910969     -0.346123      0.563606
  H      -3.729136     -3.597450      3.902615
  H      -5.944509     -7.087718     13.708729
  H      -6.758950     -5.507727     13.497634
  H      -7.710258     -6.992937     13.788973
  H      -6.955891     -4.914364     11.437265
  H      -7.182207     -7.905101      9.224601
  H      -7.371448     -7.645174      6.738220
  H      -8.076670     -3.123570      5.174661
  H      -6.337675     -3.353347      5.137707
  H      -9.011152     -0.891504      4.599438
  H      -8.462130      1.453966      3.849307
  H      -4.844219     -1.366047      5.557313
  H      -6.986630     -3.607804      9.581006
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.934514974158
  N      -3.032923      4.207768      4.709406
  Mo     -3.752686      2.689703      3.467125
  N      -4.242593      1.171461      4.729613
  C      -3.148466      0.426202      5.336917
  C      -1.981169      1.348893      5.619310
  N      -1.569953      2.075867      4.400065
  C      -0.829266      3.311997      4.685589
  C      -1.743855      4.320903      5.351637
  C      -0.825679      1.264880      3.416811
  C      -1.117882      1.852262      2.011382
  N      -2.549920      1.989205      1.945571
  H      -1.306739      5.330257      5.244637
  H      -1.821280      4.128209      6.438989
  H      -0.480335      3.710863      3.723900
  H       0.063264      3.106702      5.305818
  H      -0.710034      1.192948      1.229670
  H      -0.640458      2.834736      1.878977
  H      -1.189205      0.230294      3.459969
  H       0.254318      1.258436      3.652101
  H      -3.460313     -0.021321      6.298365
  H      -2.829302     -0.414438      4.690619
  H      -2.281509      2.092326      6.368054
  H      -1.138743      0.768351      6.044714
  C      -9.991139      0.352611      7.437661
  C      -8.903272      1.365054      7.742515
  O      -9.151400      2.572794      7.817866
  N      -7.655359      0.824900      7.948536
  C      -6.489073      1.483227      8.360551
  C      -5.312537      0.718651      8.487000
  C      -4.128580      1.311128      8.911031
  C      -4.113927      2.664565      9.222742
  F      -2.927250      3.222049      9.578627
  C      -5.259417      3.459364      9.102778
  C      -5.215199      4.933725      9.365616
  O      -4.566232      5.405426     10.287916
  C      -5.965355      5.841280      8.378439
  C      -5.711835      5.376785      6.971623
  C      -6.750895      5.001946      6.096838
  C      -6.451156      4.355109      4.891315
  N      -5.183906      4.090068      4.547111
  C      -4.179989      4.522962      5.366909
  C      -4.386215      5.179818      6.576021
  C      -6.443717      2.852258      8.660834
  C      -3.446733     -3.425542      8.124864
  C      -3.355261     -3.598115      6.623397
  O      -4.260360     -4.122827      5.973951
  N      -2.207830     -3.091692      6.054106
  C      -1.848160     -3.033534      4.693557
  C      -0.536138     -2.630259      4.383772
  C      -0.129789     -2.515828      3.057032
  C      -1.041710     -2.779750      2.041750
  F      -0.602047     -2.670492      0.756192
  C      -2.356857     -3.167969      2.308844
  C      -3.429037     -3.432544      1.289590
  O      -4.283946     -4.279534      1.528567
  C      -3.550359     -2.531339      0.061130
  C      -3.899158     -1.161353      0.592121
  C      -5.239038     -0.862004      0.936057
  C      -5.533318      0.316258      1.619284
  N      -4.569011      1.179755      1.967494
  C      -3.290085      0.948885      1.536425
  C      -2.899393     -0.212831      0.862232
  C      -2.738152     -3.312962      3.653709
  C      -6.883552     -6.655573     13.250142
  C      -6.961205     -6.986333     11.773002
  O      -6.967033     -8.146975     11.366405
  N      -7.028490     -5.885309     10.946452
  C      -7.121758     -5.831743      9.544483
  C      -7.220861     -6.975436      8.728217
  C      -7.317499     -6.823270      7.347860
  C      -7.311984     -5.556685      6.778244
  F      -7.415575     -5.482576      5.428074
  C      -7.205544     -4.393677      7.557110
  C      -7.153147     -2.991610      7.047508
  O      -7.087608     -2.061477      7.860992
  C      -7.166830     -2.740396      5.553881
  C      -6.969502     -1.305706      5.160975
  C      -8.030936     -0.513338      4.696901
  C      -7.735459      0.792196      4.299027
  N      -6.518123      1.327990      4.319201
  C      -5.483072      0.580532      4.772712
  C      -5.696337     -0.750865      5.209193
  C      -7.115852     -4.570226      8.947363
  H     -10.450016      0.584523      6.469661
  H      -9.634850     -0.684477      7.427187
  H     -10.775931      0.461643      8.199412
  H      -7.547990     -0.182983      7.779462
  H      -5.331842     -0.343801      8.239833
  H      -3.207470      0.733488      8.998292
  H      -5.591762      6.858069      8.565342
  H      -7.044766      5.837759      8.599641
  H      -7.792921      5.137658      6.386027
  H      -7.244133      3.970075      4.253397
  H      -3.547925      5.490723      7.200474
  H      -7.351653      3.436921      8.551374
  H      -2.497629     -3.143388      8.599158
  H      -4.195563     -2.647915      8.340775
  H      -3.812455     -4.362417      8.563736
  H      -1.512782     -2.727356      6.699335
  H       0.171773     -2.410948      5.186268
  H       0.889401     -2.225401      2.801401
  H      -2.619031     -2.499990     -0.519752
  H      -4.355174     -2.951563     -0.554486
  H      -6.038415     -1.566855      0.707377
  H      -6.546877      0.556557      1.933079
  H      -1.863349     -0.379184      0.573088
  H      -3.755639     -3.628960      3.870814
  H      -6.005744     -7.160219     13.675220
  H      -6.822255     -5.581003     13.466364
  H      -7.772042     -7.069168     13.747380
  H      -7.010427     -4.980233     11.407500
  H      -7.220362     -7.962511      9.182367
  H      -7.396965     -7.693762      6.696254
  H      -8.117241     -3.132777      5.156034
  H      -6.380130     -3.372738      5.112802
  H      -9.046832     -0.904632      4.632414
  H      -8.523837      1.449222      3.913815
  H      -4.865098     -1.379031      5.524445
  H      -7.034752     -3.666647      9.555810
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.939273359557
  N      -3.017434      4.221522      4.688814
  Mo     -3.737595      2.699468      3.451851
  N      -4.258997      1.185072      4.725779
  C      -3.161657      0.431589      5.330498
  C      -1.990358      1.351745      5.602981
  N      -1.588994      2.087736      4.385764
  C      -0.834506      3.322675      4.691532
  C      -1.745011      4.336239      5.355196
  C      -0.824008      1.279849      3.414628
  C      -1.084466      1.874673      2.027679
  N      -2.517656      2.011326      1.927567
  H      -1.306746      5.346089      5.257347
  H      -1.837933      4.140772      6.441014
  H      -0.476481      3.725958      3.735802
  H       0.050358      3.099088      5.315265
  H      -0.661505      1.223614      1.247465
  H      -0.603704      2.857532      1.918824
  H      -1.191512      0.245734      3.438547
  H       0.249210      1.271488      3.677823
  H      -3.464018     -0.010454      6.295129
  H      -2.851931     -0.411732      4.683200
  H      -2.290668      2.092506      6.354514
  H      -1.138068      0.778582      6.016732
  C      -9.922208      0.269287      7.485784
  C      -8.868729      1.319292      7.770963
  O      -9.154995      2.518102      7.831862
  N      -7.609724      0.813382      7.979858
  C      -6.453743      1.491375      8.381266
  C      -5.274494      0.734736      8.508494
  C      -4.091603      1.335819      8.925193
  C      -4.082904      2.692048      9.227969
  F      -2.897822      3.258207      9.575665
  C      -5.234227      3.478918      9.105694
  C      -5.204951      4.955004      9.359311
  O      -4.565811      5.442179     10.280599
  C      -5.969032      5.842264      8.362030
  C      -5.712493      5.378579      6.952302
  C      -6.754396      4.990424      6.095634
  C      -6.458098      4.334695      4.897536
  N      -5.197258      4.085481      4.534990
  C      -4.168695      4.539163      5.329977
  C      -4.382466      5.194572      6.544234
  C      -6.416696      2.861909      8.670884
  C      -3.478915     -3.445890      8.121399
  C      -3.391101     -3.618307      6.619435
  O      -4.291756     -4.151515      5.972728
  N      -2.249196     -3.103938      6.048486
  C      -1.889017     -3.038449      4.688408
  C      -0.579450     -2.619488      4.390170
  C      -0.165886     -2.491979      3.068394
  C      -1.067402     -2.759759      2.046471
  F      -0.619943     -2.637735      0.764739
  C      -2.380352     -3.166888      2.298233
  C      -3.424600     -3.438019      1.251005
  O      -4.287455     -4.286326      1.459814
  C      -3.500969     -2.524912      0.027652
  C      -3.860476     -1.155661      0.554106
  C      -5.199886     -0.856523      0.878734
  C      -5.499977      0.315237      1.566084
  N      -4.544837      1.186892      1.932015
  C      -3.256917      0.955721      1.512470
  C      -2.866133     -0.213964      0.846462
  C      -2.771268     -3.322859      3.640459
  C      -6.894243     -6.648760     13.261608
  C      -6.974621     -6.982185     11.785183
  O      -6.977446     -8.143600     11.380652
  N      -7.047517     -5.882954     10.956953
  C      -7.143360     -5.832334      9.554861
  C      -7.239035     -6.977996      8.741315
  C      -7.335920     -6.828779      7.360601
  C      -7.333750     -5.563794      6.787748
  F      -7.437866     -5.495633      5.438034
  C      -7.231974     -4.397561      7.563950
  C      -7.181095     -2.995630      7.055656
  O      -7.115818     -2.069699      7.873902
  C      -7.192486     -2.737847      5.561949
  C      -6.988981     -1.301940      5.169564
  C      -8.051257     -0.515005      4.706287
  C      -7.765156      0.792079      4.310287
  N      -6.548506      1.337750      4.327934
  C      -5.505259      0.593097      4.777285
  C      -5.715165     -0.740662      5.216984
  C      -7.142556     -4.572082      8.955223
  H     -10.392733      0.479678      6.516219
  H      -9.531012     -0.755581      7.482601
  H     -10.704194      0.358123      8.253317
  H      -7.481608     -0.192548      7.820128
  H      -5.293730     -0.330266      8.270291
  H      -3.167332      0.763338      9.012878
  H      -5.612668      6.866988      8.540280
  H      -7.047168      5.820382      8.587088
  H      -7.794710      5.118663      6.394847
  H      -7.249421      3.935483      4.264299
  H      -3.544894      5.502810      7.170095
  H      -7.328499      3.441133      8.556982
  H      -2.530748     -3.154931      8.592311
  H      -4.233601     -2.674798      8.338900
  H      -3.835355     -4.385162      8.562686
  H      -1.557096     -2.734918      6.694185
  H       0.121053     -2.398227      5.198588
  H       0.851837     -2.188909      2.821449
  H      -2.549381     -2.496824     -0.519172
  H      -4.287884     -2.933236     -0.618554
  H      -5.996232     -1.560696      0.636927
  H      -6.519327      0.548727      1.871953
  H      -1.826837     -0.391557      0.578221
  H      -3.785198     -3.652400      3.847912
  H      -6.013576     -7.149712     13.685154
  H      -6.836037     -5.573655     13.476049
  H      -7.779983     -7.064610     13.761859
  H      -7.031078     -4.976904     11.416219
  H      -7.235367     -7.964139      9.197523
  H      -7.412493     -7.700939      6.710920
  H      -8.143236     -3.126545      5.160368
  H      -6.406782     -3.370302      5.121746
  H      -9.065070     -0.911632      4.643386
  H      -8.564021      1.442218      3.934440
  H      -4.881220     -1.365636      5.532789
  H      -7.063440     -3.667277      9.561962
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.941827918587
  N      -3.023323      4.221535      4.673161
  Mo     -3.737185      2.697314      3.441229
  N      -4.284325      1.189617      4.707800
  C      -3.190322      0.425707      5.306223
  C      -2.018777      1.341758      5.581793
  N      -1.626398      2.089295      4.368010
  C      -0.856542      3.315440      4.694607
  C      -1.762644      4.330158      5.358748
  C      -0.844150      1.285239      3.405367
  C      -1.078041      1.894908      2.030119
  N      -2.509472      2.034174      1.909583
  H      -1.321042      5.339593      5.274397
  H      -1.869361      4.126111      6.441760
  H      -0.487870      3.724146      3.745742
  H       0.019258      3.069399      5.321537
  H      -0.646321      1.253532      1.245620
  H      -0.595325      2.878643      1.939792
  H      -1.218355      0.252427      3.413617
  H       0.222694      1.269782      3.693224
  H      -3.490405     -0.020181      6.269786
  H      -2.885901     -0.414391      4.652085
  H      -2.319549      2.075537      6.340599
  H      -1.159674      0.770783      5.982743
  C      -9.913925      0.302340      7.536160
  C      -8.852095      1.338965      7.836616
  O      -9.127650      2.538985      7.913661
  N      -7.596039      0.821870      8.030605
  C      -6.433315      1.494370      8.418970
  C      -5.253383      0.736621      8.531917
  C      -4.064076      1.337067      8.932508
  C      -4.049687      2.694780      9.230858
  F      -2.859843      3.261512      9.560548
  C      -5.201856      3.481793      9.119931
  C      -5.176729      4.959045      9.364553
  O      -4.534011      5.459265     10.275906
  C      -5.964186      5.825210      8.367241
  C      -5.719735      5.351428      6.957817
  C      -6.765148      4.948058      6.121120
  C      -6.468393      4.291570      4.924810
  N      -5.212289      4.065154      4.539431
  C      -4.175517      4.536465      5.307675
  C      -4.393598      5.179823      6.530923
  C      -6.390519      2.864596      8.703241
  C      -3.453721     -3.436012      8.142691
  C      -3.378709     -3.600717      6.638759
  O      -4.287853     -4.122138      5.994718
  N      -2.236640     -3.092981      6.062906
  C      -1.882382     -3.028024      4.701539
  C      -0.572753     -2.611205      4.401070
  C      -0.159686     -2.490860      3.078993
  C      -1.062286     -2.761936      2.059697
  F      -0.609771     -2.653505      0.778274
  C      -2.377994     -3.164141      2.312807
  C      -3.416732     -3.440614      1.260613
  O      -4.281044     -4.288526      1.464467
  C      -3.477613     -2.530666      0.033200
  C      -3.846672     -1.159287      0.548677
  C      -5.186460     -0.861921      0.865751
  C      -5.488987      0.310577      1.548222
  N      -4.539380      1.189094      1.914990
  C      -3.248147      0.959732      1.500917
  C      -2.857574     -0.215440      0.846004
  C      -2.767290     -3.314611      3.656171
  C      -6.910742     -6.619044     13.249631
  C      -6.985782     -6.960347     11.774746
  O      -6.981617     -8.123839     11.376207
  N      -7.062475     -5.865822     10.940705
  C      -7.154326     -5.823134      9.538035
  C      -7.240548     -6.973745      8.730372
  C      -7.332925     -6.832255      7.348604
  C      -7.335200     -5.570431      6.768939
  F      -7.435404     -5.509618      5.418991
  C      -7.242794     -4.399443      7.538859
  C      -7.194248     -3.001274      7.021774
  O      -7.141158     -2.069150      7.834178
  C      -7.196078     -2.753192      5.526667
  C      -6.996180     -1.317817      5.129776
  C      -8.061427     -0.539043      4.663303
  C      -7.787908      0.773958      4.279282
  N      -6.576214      1.332731      4.303045
  C      -5.528300      0.592450      4.749820
  C      -5.727856     -0.744638      5.184924
  C      -7.158576     -4.566190      8.931712
  H     -10.383377      0.539414      6.571752
  H      -9.529993     -0.724392      7.509371
  H     -10.692044      0.379706      8.308953
  H      -7.476310     -0.185340      7.862611
  H      -5.278949     -0.328005      8.294438
  H      -3.139239      0.763879      9.008773
  H      -5.622733      6.858053      8.527956
  H      -7.038141      5.786816      8.608794
  H      -7.803666      5.065629      6.430689
  H      -7.256774      3.881864      4.294236
  H      -3.554186      5.488818      7.154090
  H      -7.302321      3.445471      8.594917
  H      -2.499594     -3.155766      8.607944
  H      -4.199880     -2.660047      8.370487
  H      -3.814971     -4.374374      8.581903
  H      -1.538806     -2.729937      6.705787
  H       0.129482     -2.390689      5.208154
  H       0.859121     -2.193242      2.829745
  H      -2.518121     -2.505702     -0.498014
  H      -4.255276     -2.939038     -0.624542
  H      -5.980629     -1.569009      0.624819
  H      -6.509587      0.539523      1.855658
  H      -1.815832     -0.398593      0.590253
  H      -3.781079     -3.643384      3.866067
  H      -6.028399     -7.113117     13.677746
  H      -6.858804     -5.542584     13.458829
  H      -7.795418     -7.037142     13.749881
  H      -7.051636     -4.957272     11.395163
  H      -7.233371     -7.957420      9.191839
  H      -7.402439     -7.708168      6.703199
  H      -8.142077     -3.147308      5.119453
  H      -6.403864     -3.385188      5.096941
  H      -9.071653     -0.944121      4.596547
  H      -8.597583      1.417993      3.916790
  H      -4.889892     -1.361138      5.507172
  H      -7.086091     -3.657860      9.533810
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.943105016344
  N      -3.029476      4.240508      4.642938
  Mo     -3.734940      2.703976      3.425674
  N      -4.290925      1.199671      4.701857
  C      -3.193149      0.430602      5.287907
  C      -2.020016      1.345655      5.558499
  N      -1.645543      2.102601      4.342350
  C      -0.867116      3.326570      4.680286
  C      -1.774334      4.343938      5.342648
  C      -0.855164      1.294632      3.382161
  C      -1.079308      1.902549      2.006614
  N      -2.512649      2.049016      1.871093
  H      -1.331274      5.353177      5.267386
  H      -1.891053      4.134153      6.423394
  H      -0.491696      3.738154      3.735536
  H       0.002417      3.066171      5.309041
  H      -0.646179      1.262848      1.220666
  H      -0.594563      2.885607      1.919694
  H      -1.236022      0.264177      3.388325
  H       0.207549      1.273525      3.684389
  H      -3.484253     -0.017518      6.252624
  H      -2.896402     -0.407368      4.627388
  H      -2.316170      2.073169      6.325462
  H      -1.152006      0.778058      5.943107
  C      -9.879595      0.276467      7.556221
  C      -8.827575      1.322306      7.861897
  O      -9.118830      2.517150      7.961428
  N      -7.563335      0.817466      8.039533
  C      -6.401510      1.498389      8.421311
  C      -5.215880      0.747913      8.527455
  C      -4.026823      1.354801      8.918539
  C      -4.017152      2.713210      9.213117
  F      -2.828468      3.287801      9.533362
  C      -5.173772      3.493351      9.109304
  C      -5.157277      4.971748      9.348891
  O      -4.509781      5.481758     10.250917
  C      -5.960190      5.822989      8.352065
  C      -5.725357      5.342849      6.942952
  C      -6.778416      4.919569      6.122672
  C      -6.488338      4.258397      4.926461
  N      -5.236607      4.051992      4.522450
  C      -4.181845      4.551016      5.275073
  C      -4.401782      5.187431      6.502355
  C      -6.363282      2.869160      8.704422
  C      -3.486450     -3.455050      8.149616
  C      -3.400091     -3.610216      6.645220
  O      -4.302185     -4.131073      5.990824
  N      -2.255859     -3.094732      6.080727
  C      -1.892065     -3.022002      4.722483
  C      -0.583738     -2.593238      4.434111
  C      -0.160211     -2.467933      3.115829
  C      -1.052011     -2.745087      2.088800
  F      -0.585812     -2.632214      0.812496
  C      -2.367975     -3.156996      2.330060
  C      -3.394441     -3.441009      1.267084
  O      -4.256530     -4.291719      1.463853
  C      -3.444542     -2.533354      0.036975
  C      -3.823203     -1.160849      0.543064
  C      -5.165132     -0.867015      0.855374
  C      -5.471756      0.308397      1.530473
  N      -4.528338      1.195804      1.891401
  C      -3.233606      0.968779      1.481448
  C      -2.839927     -0.211413      0.840271
  C      -2.766232     -3.313507      3.669684
  C      -6.935235     -6.660280     13.244861
  C      -7.008120     -6.989775     11.767243
  O      -7.004485     -8.150024     11.359409
  N      -7.082262     -5.888538     10.941763
  C      -7.171337     -5.834910      9.539294
  C      -7.257437     -6.979364      8.722704
  C      -7.348108     -6.827385      7.342125
  C      -7.348437     -5.561131      6.772035
  F      -7.448171     -5.489413      5.422719
  C      -7.255166     -4.396309      7.550791
  C      -7.203526     -2.994832      7.042647
  O      -7.149615     -2.068887      7.861088
  C      -7.208399     -2.737822      5.548904
  C      -7.004434     -1.301699      5.154693
  C      -8.072029     -0.517584      4.701534
  C      -7.798198      0.793884      4.313160
  N      -6.584357      1.347436      4.318919
  C      -5.534240      0.603121      4.753055
  C      -5.733700     -0.733003      5.194661
  C      -7.173210     -4.573472      8.942435
  H     -10.364119      0.528924      6.603768
  H      -9.481298     -0.743713      7.501634
  H     -10.647576      0.325522      8.341114
  H      -7.436759     -0.186484      7.861757
  H      -5.239558     -0.317213      8.294066
  H      -3.098641      0.786394      8.989828
  H      -5.631597      6.861702      8.501147
  H      -7.030905      5.770962      8.605148
  H      -7.814000      5.024601      6.445570
  H      -7.275380      3.833921      4.304449
  H      -3.561831      5.504914      7.121268
  H      -7.277690      3.445401      8.600316
  H      -2.536986     -3.172892      8.623020
  H      -4.238073     -2.684272      8.377413
  H      -3.845813     -4.397858      8.580630
  H      -1.564436     -2.731598      6.730426
  H       0.109927     -2.369507      5.247682
  H       0.858307     -2.162368      2.875348
  H      -2.478182     -2.509382     -0.480602
  H      -4.212993     -2.942929     -0.631100
  H      -5.956519     -1.578341      0.617901
  H      -6.492710      0.533160      1.839059
  H      -1.795729     -0.395958      0.592963
  H      -3.779369     -3.650702      3.871119
  H      -6.054018     -7.158505     13.670478
  H      -6.882705     -5.585563     13.462663
  H      -7.821094     -7.081570     13.740306
  H      -7.071179     -4.983611     11.403421
  H      -7.252339     -7.966497      9.176736
  H      -7.418271     -7.698264      6.689983
  H      -8.157547     -3.125391      5.143456
  H      -6.421183     -3.372315      5.113539
  H      -9.084636     -0.918973      4.644818
  H      -8.611473      1.438599      3.960195
  H      -4.894893     -1.350991      5.510108
  H      -7.100696     -3.669677      9.551358
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.944168590411
  N      -3.036836      4.268349      4.615261
  Mo     -3.736180      2.716385      3.407321
  N      -4.289884      1.206163      4.697924
  C      -3.186022      0.437156      5.271737
  C      -2.011393      1.354511      5.536917
  N      -1.655431      2.118410      4.315929
  C      -0.869998      3.339916      4.658425
  C      -1.779277      4.360589      5.320182
  C      -0.858802      1.309366      3.356094
  C      -1.074289      1.927809      1.977679
  N      -2.509324      2.078881      1.832614
  H      -1.332782      5.368425      5.251140
  H      -1.901770      4.145185      6.398906
  H      -0.489940      3.752375      3.715722
  H      -0.005469      3.068359      5.288403
  H      -0.639199      1.293397      1.188486
  H      -0.588845      2.911069      1.895651
  H      -1.246551      0.281522      3.357733
  H       0.200093      1.281049      3.669869
  H      -3.468929     -0.013187      6.237973
  H      -2.894141     -0.399155      4.606886
  H      -2.303548      2.076826      6.310476
  H      -1.134411      0.791590      5.906236
  C      -9.882709      0.277563      7.536155
  C      -8.829106      1.315977      7.865136
  O      -9.122074      2.507454      8.000379
  N      -7.562621      0.807587      8.022733
  C      -6.395705      1.480969      8.407791
  C      -5.211501      0.725667      8.499510
  C      -4.017422      1.323836      8.887324
  C      -3.999815      2.679602      9.192214
  F      -2.806844      3.247507      9.508972
  C      -5.153143      3.465078      9.104006
  C      -5.129190      4.942437      9.354765
  O      -4.471890      5.443966     10.254050
  C      -5.943629      5.800094      8.373668
  C      -5.724573      5.331102      6.958645
  C      -6.781050      4.897144      6.152117
  C      -6.488826      4.245601      4.952853
  N      -5.238326      4.060021      4.527740
  C      -4.193068      4.572200      5.257617
  C      -4.411627      5.195364      6.494132
  C      -6.349219      2.848963      8.705129
  C      -3.500147     -3.470246      8.164629
  C      -3.408090     -3.614192      6.659519
  O      -4.304566     -4.136890      5.998337
  N      -2.263414     -3.090038      6.102375
  C      -1.894445     -3.009934      4.745792
  C      -0.589220     -2.569098      4.462118
  C      -0.162316     -2.438743      3.145037
  C      -1.048364     -2.723465      2.114545
  F      -0.577217     -2.604429      0.840608
  C      -2.361366     -3.147019      2.352272
  C      -3.384527     -3.442880      1.288703
  O      -4.239857     -4.297475      1.489972
  C      -3.439962     -2.542061      0.054182
  C      -3.824652     -1.168508      0.551935
  C      -5.166110     -0.880338      0.872638
  C      -5.469777      0.301126      1.538535
  N      -4.528268      1.197995      1.876633
  C      -3.236719      0.977016      1.462614
  C      -2.845344     -0.210987      0.834394
  C      -2.761844     -3.307567      3.689699
  C      -6.956376     -6.655748     13.248726
  C      -7.023334     -6.986061     11.771100
  O      -7.016720     -8.146403     11.363686
  N      -7.095707     -5.885214     10.944709
  C      -7.179393     -5.832578      9.542083
  C      -7.261413     -6.977586      8.725705
  C      -7.348656     -6.826659      7.345060
  C      -7.348941     -5.560602      6.774127
  F      -7.447587     -5.490390      5.424832
  C      -7.258294     -4.395350      7.552832
  C      -7.205714     -2.992865      7.045256
  O      -7.153008     -2.068853      7.864780
  C      -7.206924     -2.732393      5.552416
  C      -7.001339     -1.295548      5.160091
  C      -8.069982     -0.508266      4.711201
  C      -7.793288      0.800742      4.316031
  N      -6.578807      1.349899      4.313885
  C      -5.528850      0.606431      4.749729
  C      -5.729717     -0.729586      5.195168
  C      -7.180585     -4.571632      8.944492
  H     -10.375340      0.560856      6.597272
  H      -9.482033     -0.739030      7.443690
  H     -10.643665      0.298280      8.328842
  H      -7.439818     -0.192552      7.825263
  H      -5.242082     -0.337084      8.257427
  H      -3.091216      0.750952      8.947492
  H      -5.621474      6.840083      8.526352
  H      -7.010937      5.737862      8.639153
  H      -7.814528      4.983271      6.486406
  H      -7.273233      3.810985      4.335085
  H      -3.568245      5.519728      7.105586
  H      -7.261286      3.429498      8.613695
  H      -2.553795     -3.185372      8.642511
  H      -4.257170     -2.705833      8.396056
  H      -3.854641     -4.418312      8.588280
  H      -1.576527     -2.726238      6.756489
  H       0.099599     -2.340230      5.278383
  H       0.853886     -2.123405      2.907800
  H      -2.472361     -2.517768     -0.461209
  H      -4.204995     -2.957595     -0.614143
  H      -5.956359     -1.597537      0.649972
  H      -6.487421      0.524121      1.858797
  H      -1.801431     -0.396917      0.585091
  H      -3.772491     -3.653332      3.887892
  H      -6.076044     -7.152525     13.677858
  H      -6.906155     -5.580852     13.466137
  H      -7.843474     -7.078042     13.741085
  H      -7.087331     -4.979978     11.405790
  H      -7.256992     -7.964420      9.180380
  H      -7.416830     -7.697988      6.693276
  H      -8.156282     -3.117115      5.145153
  H      -6.420783     -3.368329      5.117111
  H      -9.083869     -0.907247      4.656982
  H      -8.606354      1.445409      3.962195
  H      -4.891683     -1.348053      5.510082
  H      -7.111143     -3.667273      9.553106
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.945346852345
  N      -3.037186      4.276246      4.603998
  Mo     -3.730665      2.718290      3.407828
  N      -4.305715      1.211966      4.690185
  C      -3.207358      0.435691      5.260331
  C      -2.033315      1.349589      5.526045
  N      -1.683602      2.117796      4.303155
  C      -0.883656      3.328737      4.652410
  C      -1.782813      4.352138      5.316437
  C      -0.882838      1.303892      3.348452
  C      -1.079165      1.932233      1.972482
  N      -2.511192      2.099051      1.818788
  H      -1.326683      5.355862      5.257063
  H      -1.913313      4.128242      6.392235
  H      -0.495221      3.740647      3.712737
  H      -0.026319      3.040618      5.283983
  H      -0.644034      1.300892      1.181718
  H      -0.585768      2.912118      1.900838
  H      -1.281652      0.280710      3.343483
  H       0.170531      1.264148      3.676311
  H      -3.492032     -0.017144      6.225933
  H      -2.918294     -0.398879      4.592459
  H      -2.320408      2.068983      6.303748
  H      -1.154292      0.785019      5.886648
  C      -9.922990      0.325377      7.538624
  C      -8.851248      1.339757      7.882682
  O      -9.121329      2.536456      8.020499
  N      -7.594172      0.807613      8.037180
  C      -6.416025      1.462070      8.417671
  C      -5.240511      0.691966      8.498585
  C      -4.036317      1.275292      8.877071
  C      -3.999633      2.630501      9.183714
  F      -2.797089      3.183496      9.491010
  C      -5.143399      3.430743      9.105186
  C      -5.100491      4.908729      9.356485
  O      -4.433254      5.401607     10.253207
  C      -5.918261      5.776031      8.386246
  C      -5.709137      5.315672      6.967110
  C      -6.770701      4.885084      6.161212
  C      -6.483673      4.242854      4.955801
  N      -5.234021      4.060872      4.523341
  C      -4.188238      4.575986      5.251148
  C      -4.400120      5.186401      6.493324
  C      -6.349933      2.829071      8.715916
  C      -3.453692     -3.455540      8.196067
  C      -3.378818     -3.592749      6.689953
  O      -4.288058     -4.102749      6.036127
  N      -2.233019     -3.079942      6.124093
  C      -1.873508     -3.001749      4.764743
  C      -0.566949     -2.571800      4.470839
  C      -0.149342     -2.445577      3.150235
  C      -1.045473     -2.723351      2.126231
  F      -0.582959     -2.608596      0.848762
  C      -2.359351     -3.135771      2.374339
  C      -3.395371     -3.425773      1.321770
  O      -4.256137     -4.271938      1.535376
  C      -3.453969     -2.531904      0.083049
  C      -3.833088     -1.154792      0.574213
  C      -5.174758     -0.860625      0.894042
  C      -5.475476      0.326749      1.551516
  N      -4.530929      1.223370      1.878583
  C      -3.237691      0.998369      1.464970
  C      -2.849994     -0.197476      0.849033
  C      -2.750812     -3.292200      3.714839
  C      -6.959201     -6.618462     13.243963
  C      -7.019372     -6.959529     11.768467
  O      -7.008358     -8.122762     11.369464
  N      -7.091114     -5.864792     10.933904
  C      -7.169785     -5.822479      9.530481
  C      -7.247628     -6.973694      8.722444
  C      -7.331924     -6.833391      7.340413
  C      -7.333398     -5.571666      6.759907
  F      -7.430069     -5.512113      5.409610
  C      -7.245758     -4.400428      7.530095
  C      -7.195205     -3.001008      7.012674
  O      -7.142993     -2.070515      7.825329
  C      -7.190839     -2.749571      5.518614
  C      -6.997376     -1.312688      5.123351
  C      -8.072016     -0.534808      4.670642
  C      -7.804924      0.777489      4.280333
  N      -6.595326      1.337654      4.286782
  C      -5.541161      0.605140      4.730023
  C      -5.732337     -0.734914      5.167499
  C      -7.170912     -4.566012      8.923202
  H     -10.404635      0.628296      6.599548
  H      -9.541306     -0.697352      7.437254
  H     -10.687565      0.353025      8.327704
  H      -7.490070     -0.195532      7.838390
  H      -5.284360     -0.369509      8.250636
  H      -3.116558      0.691236      8.928125
  H      -5.595048      6.814900      8.542575
  H      -6.984073      5.713125      8.658655
  H      -7.802959      4.966493      6.500367
  H      -7.270242      3.812538      4.338184
  H      -3.553956      5.511331      7.101075
  H      -7.256275      3.420280      8.634191
  H      -2.499536     -3.182435      8.665373
  H      -4.200969     -2.685423      8.439696
  H      -3.812397     -4.402716      8.617818
  H      -1.536111     -2.726548      6.773309
  H       0.129868     -2.348028      5.281762
  H       0.867356     -2.138338      2.904773
  H      -2.487375     -2.512907     -0.435677
  H      -4.221615     -2.948948     -0.580938
  H      -5.967422     -1.576743      0.676997
  H      -6.491553      0.554162      1.873055
  H      -1.806716     -0.389342      0.602692
  H      -3.762476     -3.629789      3.920591
  H      -6.079271     -7.109788     13.680145
  H      -6.912737     -5.541909     13.453927
  H      -7.847121     -7.039641     13.735810
  H      -7.086956     -4.956364     11.388797
  H      -7.242772     -7.957036      9.184593
  H      -7.397309     -7.709728      6.695090
  H      -8.135726     -3.142923      5.108768
  H      -6.397724     -3.381031      5.089786
  H      -9.082030     -0.942216      4.611761
  H      -8.622989      1.417088      3.927872
  H      -4.890749     -1.346392      5.487162
  H      -7.104613     -3.656917      9.525161
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.946414243773
  N      -3.043600      4.290335      4.582752
  Mo     -3.728580      2.716761      3.404514
  N      -4.306148      1.213715      4.691265
  C      -3.206326      0.436302      5.255911
  C      -2.033084      1.351726      5.515412
  N      -1.695173      2.122677      4.289076
  C      -0.893336      3.334927      4.635854
  C      -1.789631      4.360532      5.297789
  C      -0.895575      1.307133      3.332346
  C      -1.085393      1.938363      1.958749
  N      -2.516942      2.112274      1.798295
  H      -1.329188      5.362475      5.239760
  H      -1.923767      4.135956      6.372924
  H      -0.502971      3.743659      3.695926
  H      -0.037858      3.045670      5.269602
  H      -0.648902      1.307884      1.167965
  H      -0.588636      2.916616      1.892194
  H      -1.299564      0.286024      3.324191
  H       0.156321      1.262190      3.664030
  H      -3.486925     -0.016690      6.222762
  H      -2.919340     -0.398415      4.587303
  H      -2.315291      2.069889      6.295923
  H      -1.149216      0.789147      5.867160
  C      -9.896334      0.314163      7.546738
  C      -8.829015      1.331932      7.893135
  O      -9.104512      2.526393      8.037600
  N      -7.570261      0.805241      8.047000
  C      -6.396261      1.465656      8.425757
  C      -5.217056      0.701891      8.509195
  C      -4.015408      1.293630      8.882601
  C      -3.985556      2.650819      9.181518
  F      -2.785266      3.211730      9.483672
  C      -5.134235      3.444370      9.101599
  C      -5.098608      4.923379      9.345971
  O      -4.424267      5.423852     10.233155
  C      -5.920694      5.782998      8.373151
  C      -5.713012      5.316749      6.955662
  C      -6.774975      4.875647      6.153675
  C      -6.489765      4.235104      4.947325
  N      -5.239795      4.060438      4.510477
  C      -4.195494      4.584891      5.235278
  C      -4.404571      5.195651      6.477396
  C      -6.337825      2.833928      8.717781
  C      -3.440038     -3.444838      8.221065
  C      -3.371018     -3.580342      6.714517
  O      -4.288012     -4.078546      6.062824
  N      -2.222995     -3.076181      6.145494
  C      -1.866366     -3.001037      4.785329
  C      -0.559140     -2.576111      4.486983
  C      -0.144656     -2.454020      3.165257
  C      -1.044283     -2.730089      2.143705
  F      -0.585440     -2.619435      0.864682
  C      -2.358386     -3.137323      2.395865
  C      -3.399758     -3.424459      1.347356
  O      -4.261716     -4.269252      1.563800
  C      -3.456846     -2.534369      0.106300
  C      -3.835127     -1.154934      0.591812
  C      -5.175747     -0.861678      0.913684
  C      -5.476355      0.330012      1.563561
  N      -4.532333      1.231742      1.876947
  C      -3.240608      1.008775      1.460288
  C      -2.853091     -0.193740      0.854528
  C      -2.747060     -3.290592      3.737731
  C      -6.978517     -6.651556     13.226249
  C      -7.038628     -6.985668     11.749147
  O      -7.030792     -8.147077     11.344797
  N      -7.106516     -5.886789     10.919696
  C      -7.184502     -5.837206      9.516532
  C      -7.266297     -6.983857      8.702412
  C      -7.348681     -6.836050      7.320956
  C      -7.344945     -5.571251      6.747212
  F      -7.438333     -5.503240      5.396999
  C      -7.253382     -4.404910      7.523527
  C      -7.195552     -3.003797      7.012044
  O      -7.144632     -2.076290      7.828350
  C      -7.192247     -2.747962      5.518588
  C      -7.000091     -1.309712      5.126893
  C      -8.076237     -0.530677      4.680368
  C      -7.808819      0.781612      4.290116
  N      -6.598353      1.340685      4.292320
  C      -5.542019      0.607791      4.731340
  C      -5.734141     -0.733587      5.166223
  C      -7.180299     -4.577594      8.915719
  H     -10.382585      0.620832      6.611206
  H      -9.509673     -0.705877      7.436974
  H     -10.658512      0.332779      8.338457
  H      -7.461126     -0.197223      7.848367
  H      -5.255165     -0.360818      8.265507
  H      -3.092463      0.714802      8.935341
  H      -5.600869      6.823673      8.524001
  H      -6.985838      5.717807      8.647747
  H      -7.806685      4.950380      6.496267
  H      -7.276569      3.799015      4.333886
  H      -3.558475      5.532511      7.078489
  H      -7.248655      3.419196      8.635939
  H      -2.482250     -3.180024      8.687737
  H      -4.180382     -2.669640      8.468795
  H      -3.804705     -4.390143      8.642225
  H      -1.521509     -2.728600      6.792900
  H       0.140666     -2.353009      5.295544
  H       0.872429     -2.150535      2.916531
  H      -2.489845     -2.517748     -0.411907
  H      -4.224016     -2.953386     -0.556892
  H      -5.967589     -1.581309      0.705528
  H      -6.491184      0.557247      1.889294
  H      -1.810866     -0.386194      0.605115
  H      -3.759338     -3.624398      3.946464
  H      -6.100219     -7.147257     13.660775
  H      -6.929285     -5.576109     13.441196
  H      -7.867902     -7.072585     13.715579
  H      -7.099529     -4.980641     11.378974
  H      -7.265043     -7.969622      9.159421
  H      -7.416165     -7.708714      6.670914
  H      -8.137598     -3.140687      5.108289
  H      -6.399472     -3.378384      5.087691
  H      -9.086682     -0.937156      4.624432
  H      -8.627088      1.422109      3.939615
  H      -4.892170     -1.347724      5.480087
  H      -7.110259     -3.671881      9.522193
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.947500418438
  N      -3.046940      4.305625      4.561923
  Mo     -3.723922      2.714306      3.402026
  N      -4.299913      1.211088      4.695622
  C      -3.197461      0.433636      5.255776
  C      -2.023335      1.350304      5.508662
  N      -1.695903      2.123727      4.279628
  C      -0.896669      3.340019      4.621788
  C      -1.792235      4.368150      5.279271
  C      -0.901396      1.308913      3.316274
  C      -1.086960      1.943247      1.945009
  N      -2.517915      2.126409      1.777061
  H      -1.325404      5.367456      5.221696
  H      -1.930960      4.144777      6.354131
  H      -0.504964      3.744292      3.680966
  H      -0.042128      3.055407      5.259604
  H      -0.649541      1.311925      1.154872
  H      -0.585208      2.919046      1.882627
  H      -1.310951      0.290094      3.304323
  H       0.150769      1.257858      3.647348
  H      -3.474417     -0.019109      6.223711
  H      -2.912057     -0.402107      4.587666
  H      -2.300013      2.068296      6.291513
  H      -1.135458      0.788750      5.852332
  C      -9.869410      0.290733      7.555407
  C      -8.809683      1.316428      7.900419
  O      -9.093471      2.509048      8.042761
  N      -7.547946      0.798870      8.055489
  C      -6.378233      1.467250      8.431039
  C      -5.196181      0.709018      8.520133
  C      -3.997030      1.308847      8.888965
  C      -3.973190      2.668268      9.178151
  F      -2.774838      3.235777      9.475536
  C      -5.126090      3.456178      9.093878
  C      -5.094835      4.936014      9.329297
  O      -4.420164      5.442782     10.212874
  C      -5.924549      5.789701      8.358222
  C      -5.715950      5.322668      6.941341
  C      -6.776426      4.870437      6.142651
  C      -6.492757      4.231375      4.935939
  N      -5.241726      4.062896      4.497454
  C      -4.200896      4.596658      5.219417
  C      -4.407006      5.211751      6.459680
  C      -6.326626      2.837511      8.714233
  C      -3.443961     -3.446996      8.239400
  C      -3.374884     -3.578866      6.732427
  O      -4.291547     -4.076413      6.080220
  N      -2.227202     -3.073897      6.163832
  C      -1.870836     -2.997130      4.803956
  C      -0.564993     -2.568054      4.505139
  C      -0.151718     -2.442538      3.183720
  C      -1.050627     -2.719734      2.161660
  F      -0.593825     -2.605750      0.882399
  C      -2.362742     -3.132015      2.413890
  C      -3.405340     -3.420898      1.366546
  O      -4.268871     -4.263794      1.586384
  C      -3.464341     -2.531928      0.125411
  C      -3.840009     -1.150213      0.607401
  C      -5.179138     -0.857644      0.932877
  C      -5.478439      0.338486      1.575016
  N      -4.533353      1.244160      1.873444
  C      -3.244067      1.023429      1.451937
  C      -2.857974     -0.186782      0.856320
  C      -2.750799     -3.288558      3.755941
  C      -6.996742     -6.676892     13.214480
  C      -7.055862     -7.006009     11.736201
  O      -7.050557     -8.166047     11.327947
  N      -7.119699     -5.904232     10.910289
  C      -7.196055     -5.849766      9.507379
  C      -7.281628     -6.993228      8.689352
  C      -7.362294     -6.840505      7.308322
  C      -7.353076     -5.573727      6.738980
  F      -7.444851     -5.500260      5.388934
  C      -7.257599     -4.410781      7.519287
  C      -7.195046     -3.008173      7.012207
  O      -7.139222     -2.083812      7.831569
  C      -7.190614     -2.748649      5.519241
  C      -6.998024     -1.309224      5.130829
  C      -8.074258     -0.528624      4.688856
  C      -7.804796      0.783380      4.298914
  N      -6.593308      1.340551      4.298752
  C      -5.535955      0.606512      4.734841
  C      -5.730778     -0.735606      5.167582
  C      -7.186294     -4.588122      8.910781
  H     -10.359790      0.594146      6.621088
  H      -9.475208     -0.726272      7.443592
  H     -10.630509      0.302994      8.348332
  H      -7.431750     -0.203459      7.861126
  H      -5.229152     -0.355476      8.284102
  H      -3.071557      0.734515      8.946018
  H      -5.609013      6.831780      8.508240
  H      -6.989155      5.719663      8.633609
  H      -7.807739      4.938121      6.488312
  H      -7.279787      3.789991      4.326698
  H      -3.561571      5.561709      7.053664
  H      -7.241217      3.417114      8.630596
  H      -2.487082     -3.179996      8.706649
  H      -4.186989     -2.675163      8.489231
  H      -3.805167     -4.394838      8.658192
  H      -1.525657     -2.727118      6.811632
  H       0.134604     -2.343241      5.313422
  H       0.864269     -2.135067      2.935090
  H      -2.498624     -2.516517     -0.394709
  H      -4.232751     -2.952240     -0.535653
  H      -5.970520     -1.580562      0.734579
  H      -6.491395      0.566868      1.905685
  H      -1.817099     -0.380895      0.602352
  H      -3.762029     -3.625719      3.964522
  H      -6.120167     -7.176099     13.648479
  H      -6.945236     -5.602283     13.433041
  H      -7.887715     -7.097418     13.701337
  H      -7.110768     -4.999651     11.372547
  H      -7.284373     -7.980556      9.143075
  H      -7.432552     -7.710715      6.655304
  H      -8.135911     -3.140642      5.107758
  H      -6.398021     -3.378366      5.087286
  H      -9.085419     -0.933391      4.634800
  H      -8.621589      1.425580      3.948298
  H      -4.889397     -1.353313      5.476404
  H      -7.113261     -3.684710      9.520209
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.948604059129
  N      -3.043624      4.316267      4.551101
  Mo     -3.713171      2.710842      3.405643
  N      -4.291585      1.206710      4.702982
  C      -3.187517      0.427397      5.258518
  C      -2.011852      1.344064      5.507072
  N      -1.692536      2.121165      4.277864
  C      -0.895265      3.339444      4.619240
  C      -1.790343      4.369380      5.273664
  C      -0.901664      1.309992      3.308080
  C      -1.081530      1.950797      1.940120
  N      -2.511010      2.143613      1.765055
  H      -1.316058      5.365590      5.219173
  H      -1.935548      4.145883      6.347780
  H      -0.501430      3.741382      3.678613
  H      -0.042073      3.058159      5.260798
  H      -0.643002      1.319349      1.150280
  H      -0.574439      2.924118      1.883107
  H      -1.315841      0.293017      3.290433
  H       0.150659      1.253012      3.638648
  H      -3.461472     -0.026343      6.226523
  H      -2.904244     -0.408368      4.589638
  H      -2.283586      2.061266      6.292622
  H      -1.121005      0.782722      5.843186
  C      -9.858887      0.266459      7.558140
  C      -8.804954      1.301149      7.893256
  O      -9.096163      2.492588      8.030478
  N      -7.539966      0.792422      8.048404
  C      -6.373373      1.468367      8.420444
  C      -5.188606      0.715034      8.513056
  C      -3.991694      1.321641      8.878836
  C      -3.973385      2.682236      9.162767
  F      -2.777033      3.254872      9.457813
  C      -5.130204      3.465045      9.076947
  C      -5.103753      4.944258      9.312076
  O      -4.424077      5.453139     10.190906
  C      -5.934045      5.797599      8.341312
  C      -5.719711      5.331374      6.925120
  C      -6.775744      4.872563      6.125972
  C      -6.489751      4.233141      4.920749
  N      -5.236702      4.068132      4.485705
  C      -4.201523      4.606924      5.207332
  C      -4.408432      5.226474      6.445282
  C      -6.327729      2.840003      8.698394
  C      -3.434420     -3.438244      8.257140
  C      -3.371074     -3.572568      6.750003
  O      -4.293497     -4.064507      6.101866
  N      -2.222837     -3.075111      6.176400
  C      -1.871845     -3.000012      4.815235
  C      -0.565155     -2.576588      4.511611
  C      -0.156548     -2.450988      3.189060
  C      -1.060502     -2.722112      2.169878
  F      -0.608450     -2.609078      0.888976
  C      -2.373672     -3.128671      2.426488
  C      -3.422275     -3.409688      1.382821
  O      -4.289911     -4.248627      1.603865
  C      -3.477906     -2.521768      0.141119
  C      -3.847367     -1.136651      0.619511
  C      -5.185249     -0.840678      0.946367
  C      -5.481050      0.358626      1.582906
  N      -4.532201      1.263991      1.872725
  C      -3.245498      1.042513      1.446691
  C      -2.862946     -0.174674      0.859186
  C      -2.757320     -3.286177      3.770175
  C      -7.004346     -6.700482     13.208430
  C      -7.066077     -7.025102     11.729255
  O      -7.065714     -8.183951     11.317624
  N      -7.126204     -5.920781     10.906497
  C      -7.203442     -5.862216      9.503871
  C      -7.295459     -7.003000      8.683010
  C      -7.375781     -6.846340      7.302420
  C      -7.360078     -5.578161      6.736374
  F      -7.450850     -5.501072      5.386505
  C      -7.258601     -4.417703      7.519619
  C      -7.189453     -3.013747      7.016597
  O      -7.128997     -2.092449      7.838971
  C      -7.188083     -2.749508      5.524426
  C      -6.993884     -1.308899      5.140266
  C      -8.070263     -0.524931      4.706252
  C      -7.799212      0.787700      4.319676
  N      -6.586478      1.342186      4.315641
  C      -5.528294      0.604416      4.743585
  C      -5.724939     -0.738423      5.173162
  C      -7.187589     -4.599023      8.910568
  H     -10.357054      0.562148      6.625494
  H      -9.458208     -0.748153      7.447959
  H     -10.615806      0.276459      8.355181
  H      -7.417065     -0.210216      7.858457
  H      -5.217283     -0.350797      8.283439
  H      -3.063922      0.751335      8.938760
  H      -5.618676      6.839391      8.493923
  H      -6.999412      5.726623      8.612783
  H      -7.807789      4.936893      6.470544
  H      -7.275709      3.789301      4.312234
  H      -3.564731      5.583842      7.036817
  H      -7.245367      3.414601      8.614217
  H      -2.475246     -3.173774      8.721084
  H      -4.174255     -2.663665      8.508070
  H      -3.797355     -4.384434      8.678259
  H      -1.516481     -2.732636      6.821293
  H       0.138819     -2.355827      5.317213
  H       0.860012     -2.147980      2.937092
  H      -2.512923     -2.510831     -0.380100
  H      -4.248659     -2.940260     -0.518550
  H      -5.977999     -1.563796      0.754285
  H      -6.492109      0.590808      1.916032
  H      -1.823392     -0.372478      0.602553
  H      -3.769280     -3.619003      3.982038
  H      -6.129221     -7.204176     13.640168
  H      -6.948681     -5.626717     13.430088
  H      -7.896400     -7.119144     13.694902
  H      -7.113239     -5.017503     11.371208
  H      -7.302870     -7.991486      9.134190
  H      -7.450499     -7.714559      6.647254
  H      -8.134492     -3.139410      5.113802
  H      -6.397125     -3.378763      5.088844
  H      -9.082603     -0.927144      4.655904
  H      -8.615126      1.433481      3.973820
  H      -4.883741     -1.360132      5.474805
  H      -7.109393     -3.697631      9.522316
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.949774136310
  N      -3.034793      4.320313      4.547991
  Mo     -3.697432      2.703330      3.414928
  N      -4.278245      1.197536      4.712782
  C      -3.172744      0.415816      5.263699
  C      -1.994359      1.331056      5.509813
  N      -1.680448      2.113177      4.283309
  C      -0.887784      3.333648      4.626544
  C      -1.784789      4.364284      5.278052
  C      -0.894474      1.309703      3.304037
  C      -1.071697      1.959593      1.939978
  N      -2.499394      2.161448      1.759743
  H      -1.302951      5.357385      5.228218
  H      -1.937890      4.140668      6.351269
  H      -0.491834      3.735428      3.686860
  H      -0.035498      3.057753      5.272019
  H      -0.632595      1.328690      1.149536
  H      -0.559859      2.930771      1.887908
  H      -1.311923      0.294031      3.279599
  H       0.159267      1.246920      3.630209
  H      -3.444315     -0.039963      6.231100
  H      -2.892068     -0.419173      4.592988
  H      -2.261512      2.046777      6.298560
  H      -1.101994      0.768420      5.839384
  C      -9.855347      0.243113      7.561271
  C      -8.805118      1.286488      7.880906
  O      -9.101345      2.478095      8.006672
  N      -7.537457      0.785166      8.038726
  C      -6.373048      1.468756      8.406904
  C      -5.186024      0.719777      8.505855
  C      -3.991757      1.333002      8.870198
  C      -3.978458      2.695014      9.147235
  F      -2.784311      3.272192      9.440980
  C      -5.138265      3.473505      9.055989
  C      -5.116085      4.952487      9.288221
  O      -4.437881      5.464426     10.166821
  C      -5.949571      5.804403      8.318167
  C      -5.725877      5.340298      6.902707
  C      -6.775304      4.875595      6.101209
  C      -6.484327      4.233311      4.898725
  N      -5.228474      4.070898      4.471958
  C      -4.198846      4.614098      5.195470
  C      -4.410333      5.240594      6.429116
  C      -6.332562      2.842344      8.677342
  C      -3.433111     -3.436566      8.266101
  C      -3.371724     -3.575693      6.759184
  O      -4.295815     -4.068719      6.114165
  N      -2.224575     -3.080848      6.181822
  C      -1.878922     -3.004088      4.819468
  C      -0.572156     -2.582634      4.512930
  C      -0.168297     -2.451122      3.189647
  C      -1.076623     -2.714652      2.172559
  F      -0.628882     -2.596055      0.890710
  C      -2.390451     -3.119760      2.431867
  C      -3.442739     -3.392718      1.390028
  O      -4.316337     -4.225680      1.611832
  C      -3.495047     -2.503783      0.149001
  C      -3.856608     -1.115685      0.626410
  C      -5.193659     -0.813972      0.954625
  C      -5.484244      0.386561      1.588933
  N      -4.529357      1.288596      1.875189
  C      -3.245693      1.064892      1.442764
  C      -2.868242     -0.157718      0.860495
  C      -2.769218     -3.283500      3.776685
  C      -7.007035     -6.716324     13.210034
  C      -7.072180     -7.038447     11.730476
  O      -7.077891     -8.196701     11.317194
  N      -7.127997     -5.932766     10.909263
  C      -7.206300     -5.872247      9.506758
  C      -7.305783     -7.011623      8.684979
  C      -7.386101     -6.853168      7.304663
  C      -7.363315     -5.584562      6.739825
  F      -7.453520     -5.506344      5.390030
  C      -7.255023     -4.425190      7.524044
  C      -7.179555     -3.020600      7.022903
  O      -7.111962     -2.101252      7.846669
  C      -7.182775     -2.753600      5.531282
  C      -6.984847     -1.312614      5.150422
  C      -8.060494     -0.523958      4.724439
  C      -7.787590      0.789847      4.343594
  N      -6.573571      1.341136      4.337289
  C      -5.515758      0.597390      4.754849
  C      -5.713766     -0.746165      5.179742
  C      -7.183761     -4.608509      8.914731
  H     -10.361010      0.526435      6.628874
  H      -9.450349     -0.770533      7.458860
  H     -10.607876      0.256941      8.362480
  H      -7.408811     -0.218131      7.855695
  H      -5.210572     -0.347754      8.284088
  H      -3.062108      0.766314      8.935273
  H      -5.636033      6.846224      8.474776
  H      -7.015857      5.730237      8.584042
  H      -7.808647      4.938133      6.442678
  H      -7.267857      3.786730      4.289528
  H      -3.569601      5.602316      7.021775
  H      -7.252110      3.412822      8.588957
  H      -2.474239     -3.168297      8.728423
  H      -4.174849     -2.662677      8.514412
  H      -3.793470     -4.382180      8.690684
  H      -1.515509     -2.739624      6.824429
  H       0.135439     -2.367009      5.316736
  H       0.848121     -2.149296      2.935628
  H      -2.531355     -2.497319     -0.374258
  H      -4.269424     -2.918112     -0.509276
  H      -5.988990     -1.535051      0.765455
  H      -6.493076      0.623932      1.924178
  H      -1.829938     -0.359798      0.601650
  H      -3.781260     -3.614757      3.990603
  H      -6.133637     -7.224635     13.639851
  H      -6.946233     -5.643168     13.433269
  H      -7.900330     -7.131704     13.697032
  H      -7.110222     -5.030080     11.375010
  H      -7.318577     -8.000485      9.135175
  H      -7.466210     -7.720400      6.648818
  H      -8.130978     -3.140564      5.122811
  H      -6.394585     -3.383568      5.091793
  H      -9.074311     -0.922969      4.677663
  H      -8.602502      1.440634      4.004972
  H      -4.873005     -1.371939      5.474145
  H      -7.099993     -3.708251      9.527455
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.950993497540
  N      -3.022986      4.318601      4.553130
  Mo     -3.677720      2.693559      3.431193
  N      -4.263595      1.188130      4.725044
  C      -3.157889      0.403458      5.272361
  C      -1.977079      1.316481      5.518606
  N      -1.666018      2.104200      4.296266
  C      -0.877910      3.325873      4.644833
  C      -1.779260      4.356423      5.293866
  C      -0.883259      1.309173      3.308685
  C      -1.059792      1.969360      1.947991
  N      -2.485790      2.178823      1.765073
  H      -1.292318      5.347457      5.250633
  H      -1.941606      4.131707      6.365669
  H      -0.479041      3.730215      3.707362
  H      -0.027081      3.053485      5.293593
  H      -0.620855      1.340378      1.155654
  H      -0.544733      2.939106      1.900257
  H      -1.302553      0.294355      3.277741
  H       0.171789      1.241275      3.630049
  H      -3.428155     -0.054847      6.238929
  H      -2.880022     -0.429817      4.598728
  H      -2.241366      2.029623      6.310819
  H      -1.084386      0.751907      5.843434
  C      -9.857810      0.225052      7.564683
  C      -8.809197      1.274787      7.868933
  O      -9.107640      2.467577      7.979397
  N      -7.539484      0.778465      8.030065
  C      -6.376276      1.469280      8.392908
  C      -5.186306      0.725342      8.496648
  C      -3.994781      1.345660      8.858410
  C      -3.986845      2.708945      9.129126
  F      -2.795301      3.291609      9.421099
  C      -5.149681      3.482491      9.033327
  C      -5.134322      4.961713      9.263185
  O      -4.457272      5.478146     10.140225
  C      -5.970588      5.810424      8.291217
  C      -5.736417      5.346978      6.876981
  C      -6.778286      4.877852      6.071011
  C      -6.478254      4.231262      4.872073
  N      -5.219055      4.070970      4.456808
  C      -4.195889      4.617347      5.184362
  C      -4.416493      5.250302      6.412902
  C      -6.340817      2.844842      8.655571
  C      -3.430581     -3.436690      8.266816
  C      -3.371256     -3.582666      6.760480
  O      -4.297403     -4.077050      6.119063
  N      -2.224160     -3.093226      6.178963
  C      -1.884676     -3.015026      4.814920
  C      -0.576393     -2.600756      4.504929
  C      -0.178275     -2.463367      3.180320
  C      -1.093581     -2.713861      2.166436
  F      -0.649788     -2.590081      0.883621
  C      -2.409894     -3.112063      2.429376
  C      -3.467237     -3.372027      1.390043
  O      -4.349006     -4.196398      1.612564
  C      -3.515047     -2.480830      0.150143
  C      -3.867693     -1.090842      0.629529
  C      -5.203861     -0.780673      0.959383
  C      -5.486844      0.418995      1.595820
  N      -4.524683      1.315266      1.884212
  C      -3.244801      1.086701      1.444798
  C      -2.874457     -0.138527      0.863387
  C      -2.782059     -3.282401      3.775430
  C      -7.004942     -6.723903     13.216081
  C      -7.073621     -7.045440     11.736586
  O      -7.085105     -8.203653     11.323256
  N      -7.125681     -5.939509     10.915490
  C      -7.205180     -5.878924      9.512924
  C      -7.311232     -7.018121      8.691760
  C      -7.392006     -6.859690      7.311541
  C      -7.363515     -5.591431      6.746179
  F      -7.453856     -5.514145      5.396335
  C      -7.249402     -4.431860      7.529821
  C      -7.169493     -3.027292      7.028719
  O      -7.092630     -2.108709      7.852367
  C      -7.176736     -2.759181      5.537308
  C      -6.973533     -1.318515      5.159429
  C      -8.048026     -0.524572      4.740390
  C      -7.773924      0.791080      4.367791
  N      -6.558832      1.339424      4.361723
  C      -5.502263      0.588952      4.768455
  C      -5.700457     -0.755729      5.187014
  C      -7.177242     -4.615481      8.920500
  H     -10.369057      0.495983      6.631639
  H      -9.450522     -0.788595      7.472413
  H     -10.606698      0.245613      8.369189
  H      -7.407108     -0.225517      7.853827
  H      -5.206352     -0.343956      8.281972
  H      -3.062893      0.783077      8.927258
  H      -5.659901      6.852793      8.450137
  H      -7.037821      5.732726      8.551196
  H      -7.813562      4.939851      6.406860
  H      -7.257164      3.781391      4.259833
  H      -3.579781      5.613178      7.010465
  H      -7.262053      3.411368      8.563171
  H      -2.471513     -3.165906      8.727220
  H      -4.172679     -2.661356      8.510791
  H      -3.790565     -4.380113      8.696412
  H      -1.511401     -2.754534      6.818813
  H       0.136493     -2.394652      5.306520
  H       0.838968     -2.167057      2.923286
  H      -2.552492     -2.479463     -0.375068
  H      -4.293649     -2.888349     -0.507502
  H      -6.003378     -1.496863      0.769223
  H      -6.493192      0.662331      1.933287
  H      -1.837216     -0.344934      0.603296
  H      -3.795267     -3.608065      3.992221
  H      -6.133051     -7.236007     13.644448
  H      -6.939302     -5.651070     13.439493
  H      -7.899257     -7.135660     13.704283
  H      -7.103336     -5.036803     11.381051
  H      -7.328572     -8.006745      9.142244
  H      -7.476962     -7.726811      6.656143
  H      -8.127130     -3.142053      5.130900
  H      -6.392024     -3.390940      5.094388
  H      -9.063127     -0.920707      4.695685
  H      -8.588507      1.446998      4.038239
  H      -4.859992     -1.384655      5.475106
  H      -7.088837     -3.715502      9.533096
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.952261586394
  N      -3.009393      4.311038      4.561988
  Mo     -3.655477      2.681322      3.452242
  N      -4.247405      1.179481      4.737867
  C      -3.143091      0.391714      5.284017
  C      -1.960106      1.301518      5.532686
  N      -1.648982      2.094537      4.315021
  C      -0.866307      3.317302      4.670525
  C      -1.774973      4.347127      5.316150
  C      -0.869122      1.306900      3.320377
  C      -1.049171      1.975838      1.961742
  N      -2.473913      2.191840      1.779779
  H      -1.286197      5.337465      5.280528
  H      -1.947746      4.120932      6.386087
  H      -0.464103      3.725999      3.736013
  H      -0.017285      3.047540      5.322163
  H      -0.612445      1.349249      1.166267
  H      -0.532225      2.944734      1.916110
  H      -1.289102      0.292562      3.284959
  H       0.187426      1.234667      3.635452
  H      -3.414023     -0.068373      6.250002
  H      -2.868169     -0.439705      4.607338
  H      -2.223218      2.011418      6.328238
  H      -1.068742      0.733888      5.855424
  C      -9.860385      0.212323      7.571565
  C      -8.810446      1.266450      7.856081
  O      -9.107973      2.461392      7.946035
  N      -7.540233      0.772181      8.026000
  C      -6.378271      1.470020      8.383116
  C      -5.185477      0.731495      8.496353
  C      -3.997790      1.359602      8.856729
  C      -3.995670      2.724856      9.117242
  F      -2.807750      3.314279      9.409222
  C      -5.160545      3.493381      9.010949
  C      -5.153672      4.974413      9.233278
  O      -4.483525      5.498501     10.110873
  C      -5.994007      5.815901      8.256397
  C      -5.749460      5.351674      6.843796
  C      -6.784376      4.879709      6.031019
  C      -6.472659      4.227988      4.835712
  N      -5.209867      4.067893      4.434977
  C      -4.192265      4.616535      5.169881
  C      -4.425471      5.255841      6.391997
  C      -6.347860      2.848396      8.633403
  C      -3.430682     -3.444568      8.259392
  C      -3.370015     -3.599380      6.754187
  O      -4.295579     -4.098604      6.115067
  N      -2.224090     -3.110847      6.169966
  C      -1.890848     -3.027680      4.804098
  C      -0.581554     -2.618968      4.491181
  C      -0.190631     -2.471267      3.164944
  C      -1.113768     -2.706709      2.154736
  F      -0.674414     -2.572596      0.871144
  C      -2.431918     -3.100269      2.421217
  C      -3.494000     -3.346963      1.384746
  O      -4.383892     -4.162409      1.608711
  C      -3.537462     -2.454606      0.144780
  C      -3.881243     -1.064055      0.627674
  C      -5.216396     -0.743136      0.960403
  C      -5.489887      0.453662      1.603353
  N      -4.519835      1.342190      1.898849
  C      -3.243765      1.106016      1.451122
  C      -2.882446     -0.118007      0.865283
  C      -2.795614     -3.280803      3.768183
  C      -7.003334     -6.728741     13.225205
  C      -7.076418     -7.050379     11.745969
  O      -7.096765     -8.208784     11.333414
  N      -7.121839     -5.944556     10.924390
  C      -7.202346     -5.884302      9.521628
  C      -7.317188     -7.023472      8.701454
  C      -7.398026     -6.865278      7.321216
  C      -7.361413     -5.597670      6.754898
  F      -7.452072     -5.521242      5.404893
  C      -7.239012     -4.437901      7.537551
  C      -7.151668     -3.034380      7.035197
  O      -7.067107     -2.114873      7.857304
  C      -7.164874     -2.767194      5.543487
  C      -6.957459     -1.327503      5.167647
  C      -8.031539     -0.529311      4.754242
  C      -7.758324      0.788596      4.390428
  N      -6.542777      1.335296      4.386255
  C      -5.487463      0.579248      4.782780
  C      -5.683304     -0.766643      5.194462
  C      -7.166481     -4.621506      8.928359
  H     -10.375511      0.468017      6.636362
  H      -9.453384     -0.802741      7.495261
  H     -10.606019      0.245794      8.378690
  H      -7.406884     -0.233409      7.860215
  H      -5.200255     -0.340189      8.290802
  H      -3.063955      0.801187      8.933011
  H      -5.688814      6.859939      8.414956
  H      -7.061943      5.732933      8.511282
  H      -7.821982      4.942872      6.359137
  H      -7.245236      3.774895      4.218239
  H      -3.593639      5.617291      6.997579
  H      -7.270008      3.411568      8.532316
  H      -2.473027     -3.167668      8.719096
  H      -4.175752     -2.669304      8.495986
  H      -3.788617     -4.385828      8.695160
  H      -1.509274     -2.772486      6.807644
  H       0.136790     -2.424216      5.290673
  H       0.826768     -2.178734      2.904566
  H      -2.575820     -2.458589     -0.382262
  H      -4.320298     -2.854686     -0.512333
  H      -6.021387     -1.452157      0.766500
  H      -6.493467      0.702963      1.944024
  H      -1.846002     -0.328192      0.604439
  H      -3.809567     -3.602343      3.987945
  H      -6.134322     -7.246697     13.652379
  H      -6.929993     -5.656299     13.448124
  H      -7.899725     -7.134193     13.714879
  H      -7.092435     -5.041684     11.389270
  H      -7.341189     -8.011628      9.152533
  H      -7.489598     -7.732221      6.666453
  H      -8.117982     -3.146105      5.140176
  H      -6.384179     -3.401005      5.096821
  H      -9.047231     -0.924208      4.710580
  H      -8.573999      1.448074      4.070373
  H      -4.842092     -1.396638      5.477466
  H      -7.071660     -3.721792      9.540524
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.953474844678
  N      -2.997281      4.305724      4.568426
  Mo     -3.631691      2.670625      3.474128
  N      -4.229215      1.174348      4.752884
  C      -3.127019      0.383685      5.299758
  C      -1.943245      1.291211      5.550745
  N      -1.632910      2.088401      4.334658
  C      -0.854866      3.313519      4.694772
  C      -1.771610      4.342538      5.335728
  C      -0.855422      1.302470      3.335779
  C      -1.039626      1.974068      1.976869
  N      -2.464215      2.197717      1.797599
  H      -1.284157      5.333610      5.307499
  H      -1.954411      4.113207      6.403209
  H      -0.449073      3.725202      3.762952
  H      -0.008341      3.044733      5.349666
  H      -0.607168      1.348126      1.178767
  H      -0.520048      2.941515      1.931181
  H      -1.276489      0.288733      3.299790
  H       0.201810      1.227148      3.646924
  H      -3.399732     -0.076668      6.265599
  H      -2.853963     -0.446794      4.621432
  H      -2.205626      1.998173      6.349081
  H      -1.052860      0.721097      5.872099
  C      -9.851901      0.198363      7.573682
  C      -8.804244      1.257610      7.846945
  O      -9.103486      2.453192      7.918937
  N      -7.533518      0.767863      8.026980
  C      -6.376510      1.474111      8.380118
  C      -5.179544      0.744055      8.504023
  C      -3.997549      1.382380      8.863958
  C      -4.005111      2.749682      9.113732
  F      -2.822606      3.349557      9.407052
  C      -5.173875      3.509934      8.995728
  C      -5.180094      4.992974      9.209266
  O      -4.517311      5.527357     10.085696
  C      -6.021906      5.822695      8.223191
  C      -5.767360      5.354608      6.813500
  C      -6.794047      4.877440      5.992473
  C      -6.466288      4.223776      4.801893
  N      -5.198684      4.065634      4.413048
  C      -4.193219      4.616558      5.155913
  C      -4.441555      5.260080      6.372588
  C      -6.355341      2.854722      8.617854
  C      -3.422601     -3.448589      8.253520
  C      -3.365423     -3.608154      6.748846
  O      -4.293840     -4.106573      6.113168
  N      -2.219256     -3.125042      6.160449
  C      -1.892783     -3.040080      4.792464
  C      -0.581584     -2.643004      4.472877
  C      -0.199550     -2.491768      3.143947
  C      -1.132760     -2.712218      2.139484
  F      -0.699586     -2.576230      0.853687
  C      -2.452951     -3.094150      2.413072
  C      -3.524373     -3.328310      1.384054
  O      -4.424146     -4.131149      1.616584
  C      -3.567493     -2.436537      0.143149
  C      -3.900464     -1.045748      0.630116
  C      -5.231485     -0.713823      0.969582
  C      -5.492146      0.481405      1.619288
  N      -4.514841      1.362926      1.917139
  C      -3.245378      1.117201      1.461410
  C      -2.895920     -0.105535      0.868806
  C      -2.806932     -3.278743      3.761877
  C      -6.999012     -6.736383     13.226492
  C      -7.077316     -7.057387     11.747347
  O      -7.105219     -8.215700     11.334886
  N      -7.118440     -5.951156     10.926194
  C      -7.201412     -5.889579      9.523547
  C      -7.323415     -7.027550      8.702587
  C      -7.405489     -6.867415      7.322479
  C      -7.363622     -5.599500      6.757339
  F      -7.455195     -5.521036      5.407340
  C      -7.234815     -4.441038      7.540916
  C      -7.142619     -3.038340      7.039335
  O      -7.046648     -2.119016      7.861195
  C      -7.156962     -2.771254      5.547050
  C      -6.944245     -1.332367      5.172792
  C      -8.016543     -0.530548      4.760615
  C      -7.742013      0.788822      4.404082
  N      -6.525481      1.333323      4.405124
  C      -5.471817      0.573642      4.797170
  C      -5.668864     -0.773756      5.202280
  C      -7.160514     -4.626495      8.931451
  H     -10.367972      0.442830      6.636056
  H      -9.442259     -0.816566      7.509140
  H     -10.597110      0.238921      8.380891
  H      -7.397297     -0.238464      7.869476
  H      -5.186295     -0.329677      8.307116
  H      -3.060661      0.830331      8.948604
  H      -5.725502      6.869789      8.377860
  H      -7.090434      5.732936      8.473707
  H      -7.834938      4.938678      6.309978
  H      -7.230770      3.766139      4.177618
  H      -3.615753      5.622909      6.985918
  H      -7.280250      3.412266      8.507331
  H      -2.463272     -3.172274      8.710153
  H      -4.165116     -2.670307      8.488109
  H      -3.782496     -4.386993      8.693998
  H      -1.500254     -2.789800      6.794996
  H       0.144240     -2.460045      5.268337
  H       0.818784     -2.208483      2.877177
  H      -2.608373     -2.447044     -0.388566
  H      -4.356291     -2.830303     -0.510407
  H      -6.043322     -1.414839      0.775095
  H      -6.492308      0.736747      1.965963
  H      -1.861343     -0.320083      0.604391
  H      -3.822212     -3.591902      3.987276
  H      -6.131780     -7.259107     13.651474
  H      -6.919361     -5.664383     13.449397
  H      -7.896415     -7.137089     13.718221
  H      -7.082646     -5.048631     11.391188
  H      -7.351555     -8.016016      9.152701
  H      -7.502102     -7.733136      6.666823
  H      -8.112512     -3.145044      5.144101
  H      -6.379852     -3.408437      5.099103
  H      -9.032642     -0.924042      4.714654
  H      -8.557413      1.450992      4.088629
  H      -4.828309     -1.405369      5.483551
  H      -7.060355     -3.727882      9.544368
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.954529189833
  N      -2.984330      4.294287      4.577738
  Mo     -3.608887      2.659378      3.501818
  N      -4.212209      1.172132      4.771639
  C      -3.114633      0.377511      5.324698
  C      -1.929176      1.280463      5.580498
  N      -1.614689      2.080428      4.365707
  C      -0.843478      3.308565      4.729590
  C      -1.770853      4.336317      5.361498
  C      -0.841352      1.292218      3.364641
  C      -1.035306      1.958159      2.003350
  N      -2.460235      2.189979      1.829262
  H      -1.287521      5.329215      5.340502
  H      -1.966272      4.104393      6.425990
  H      -0.433660      3.722298      3.800037
  H      -0.000083      3.041878      5.388793
  H      -0.610760      1.330322      1.202968
  H      -0.512776      2.924034      1.953275
  H      -1.262491      0.278553      3.333646
  H       0.217131      1.215665      3.669859
  H      -3.393230     -0.080211      6.290580
  H      -2.843555     -0.453413      4.646584
  H      -2.192095      1.985238      6.380564
  H      -1.042592      0.705610      5.904468
  C      -9.837765      0.177469      7.587342
  C      -8.793517      1.246195      7.835094
  O      -9.095418      2.442453      7.869742
  N      -7.522660      0.764367      8.036019
  C      -6.373338      1.483243      8.382030
  C      -5.172024      0.764076      8.526499
  C      -3.998146      1.415612      8.887166
  C      -4.018125      2.786161      9.118196
  F      -2.843450      3.399994      9.416033
  C      -5.190265      3.536304      8.977857
  C      -5.211603      5.022949      9.175739
  O      -4.564041      5.570372     10.054536
  C      -6.049360      5.837955      8.173920
  C      -5.782247      5.364660      6.768471
  C      -6.803327      4.887387      5.933170
  C      -6.461306      4.229332      4.747944
  N      -5.189047      4.064689      4.376441
  C      -4.188123      4.616285      5.136569
  C      -4.452897      5.265042      6.345105
  C      -6.363615      2.867821      8.597313
  C      -3.418952     -3.456289      8.236536
  C      -3.361850     -3.626372      6.733307
  O      -4.289882     -4.129448      6.100913
  N      -2.215935     -3.146463      6.141663
  C      -1.895363     -3.058614      4.771760
  C      -0.581523     -2.675410      4.446200
  C      -0.209099     -2.517383      3.114672
  C      -1.153114     -2.718047      2.116075
  F      -0.726290     -2.576517      0.828151
  C      -2.475637     -3.086515      2.395915
  C      -3.557131     -3.303701      1.374974
  O      -4.468503     -4.092362      1.615599
  C      -3.596781     -2.413788      0.131408
  C      -3.917705     -1.023830      0.623686
  C      -5.245778     -0.678779      0.968209
  C      -5.495879      0.512317      1.629536
  N      -4.511752      1.382782      1.938799
  C      -3.242920      1.124439      1.476190
  C      -2.905161     -0.091038      0.869836
  C      -2.819553     -3.278161      3.746400
  C      -6.992170     -6.753262     13.227793
  C      -7.077675     -7.070981     11.748208
  O      -7.117203     -8.228412     11.334079
  N      -7.111321     -5.962966     10.929419
  C      -7.197021     -5.897283      9.526945
  C      -7.329004     -7.032460      8.703406
  C      -7.412684     -6.867728      7.323549
  C      -7.362981     -5.598819      6.761694
  F      -7.457262     -5.515198      5.411802
  C      -7.224478     -4.443232      7.547963
  C      -7.125020     -3.042102      7.048390
  O      -7.020217     -2.121758      7.870104
  C      -7.144218     -2.775043      5.555272
  C      -6.929703     -1.336936      5.182865
  C      -8.001584     -0.533334      4.772198
  C      -7.728600      0.788606      4.425418
  N      -6.511594      1.332448      4.432274
  C      -5.458577      0.570356      4.817475
  C      -5.654598     -0.778136      5.215881
  C      -7.148470     -4.632993      8.938177
  H     -10.353654      0.396949      6.643486
  H      -9.424389     -0.837446      7.550345
  H     -10.583403      0.236271      8.393067
  H      -7.383374     -0.244667      7.897996
  H      -5.168828     -0.312941      8.345386
  H      -3.058357      0.871295      8.987952
  H      -5.762751      6.888563      8.322768
  H      -7.119164      5.741865      8.417809
  H      -7.848026      4.953496      6.236042
  H      -7.217620      3.771053      4.114009
  H      -3.634063      5.623477      6.971004
  H      -7.290811      3.418557      8.469285
  H      -2.459320     -3.176161      8.690369
  H      -4.161113     -2.675630      8.464644
  H      -3.779377     -4.390549      8.685254
  H      -1.494406     -2.811451      6.773380
  H       0.152029     -2.507884      5.237880
  H       0.810354     -2.244610      2.841332
  H      -2.639592     -2.432630     -0.403720
  H      -4.391316     -2.800314     -0.519246
  H      -6.065068     -1.369288      0.767407
  H      -6.494030      0.773066      1.978642
  H      -1.871643     -0.309229      0.603996
  H      -3.837044     -3.581058      3.977411
  H      -6.128211     -7.284254     13.649189
  H      -6.902530     -5.682375     13.452282
  H      -7.891534     -7.147027     13.721543
  H      -7.065962     -5.061778     11.396097
  H      -7.363630     -8.021881      9.150944
  H      -7.516988     -7.730729      6.665476
  H      -8.102668     -3.144427      5.154371
  H      -6.370781     -3.414219      5.104093
  H      -9.017141     -0.927699      4.723281
  H      -8.545576      1.451781      4.116150
  H      -4.813250     -1.409587      5.495461
  H      -7.040854     -3.736759      9.553264
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.955523475586
  N      -2.967630      4.297473      4.577379
  Mo     -3.579356      2.655242      3.517794
  N      -4.184748      1.168658      4.788814
  C      -3.086824      0.371661      5.341283
  C      -1.900178      1.274861      5.593682
  N      -1.592475      2.078393      4.377695
  C      -0.825333      3.310508      4.741392
  C      -1.758025      4.336543      5.370102
  C      -0.823868      1.289993      3.371066
  C      -1.020798      1.952901      2.008914
  N      -2.446108      2.193363      1.838139
  H      -1.275164      5.329878      5.355527
  H      -1.960987      4.099378      6.432055
  H      -0.414394      3.723806      3.812265
  H       0.016689      3.046756      5.403922
  H      -0.601643      1.321555      1.208503
  H      -0.493405      2.916243      1.956730
  H      -1.246539      0.276742      3.342625
  H       0.235818      1.212943      3.672526
  H      -3.365016     -0.084726      6.307496
  H      -2.817401     -0.460250      4.663847
  H      -2.158968      1.978851      6.395963
  H      -1.011558      0.699992      5.912078
  C      -9.817486      0.137290      7.581562
  C      -8.784124      1.219943      7.813619
  O      -9.098056      2.413234      7.832634
  N      -7.510242      0.753161      8.027186
  C      -6.370625      1.485424      8.372436
  C      -5.164112      0.778127      8.530659
  C      -3.998465      1.442667      8.895015
  C      -4.032840      2.814621      9.116340
  F      -2.865844      3.441050      9.419403
  C      -5.210984      3.552997      8.961574
  C      -5.247209      5.039773      9.151966
  O      -4.614493      5.596471     10.035843
  C      -6.084119      5.841993      8.140908
  C      -5.799847      5.367419      6.739837
  C      -6.806487      4.884337      5.893017
  C      -6.445919      4.231231      4.713538
  N      -5.167198      4.072238      4.351473
  C      -4.187048      4.623463      5.122517
  C      -4.467367      5.272409      6.328196
  C      -6.375123      2.871529      8.576328
  C      -3.408856     -3.465455      8.238332
  C      -3.357118     -3.638057      6.734940
  O      -4.287169     -4.142128      6.106971
  N      -2.215648     -3.154607      6.137500
  C      -1.904056     -3.062172      4.765946
  C      -0.591490     -2.681511      4.431380
  C      -0.230398     -2.516939      3.097710
  C      -1.182884     -2.709559      2.105462
  F      -0.768020     -2.560907      0.814330
  C      -2.503577     -3.076044      2.393764
  C      -3.595931     -3.285610      1.382903
  O      -4.515297     -4.062979      1.634362
  C      -3.635896     -2.400063      0.136460
  C      -3.942902     -1.007386      0.628529
  C      -5.264146     -0.652049      0.981836
  C      -5.499043      0.539625      1.647369
  N      -4.505854      1.402066      1.951191
  C      -3.246385      1.134880      1.480336
  C      -2.922592     -0.082548      0.868197
  C      -2.836965     -3.273604      3.746607
  C      -6.996418     -6.770552     13.228120
  C      -7.091227     -7.084994     11.748288
  O      -7.146698     -8.241233     11.332627
  N      -7.113978     -5.975463     10.931392
  C      -7.203380     -5.906075      9.529464
  C      -7.350638     -7.037907      8.704196
  C      -7.435943     -6.869155      7.324750
  C      -7.373187     -5.599845      6.765450
  F      -7.470028     -5.512479      5.416004
  C      -7.219182     -4.447369      7.553625
  C      -7.104646     -3.046942      7.057795
  O      -6.993578     -2.129366      7.882674
  C      -7.129067     -2.774568      5.565172
  C      -6.910670     -1.335638      5.195834
  C      -7.980795     -0.528202      4.790205
  C      -7.704736      0.795195      4.451256
  N      -6.486168      1.335700      4.459442
  C      -5.433553      0.569501      4.836139
  C      -5.633743     -0.780223      5.228690
  C      -7.142068     -4.641116      8.943397
  H     -10.339633      0.340731      6.637750
  H      -9.393357     -0.873529      7.554199
  H     -10.560755      0.196822      8.389564
  H      -7.360226     -0.255619      7.898713
  H      -5.149842     -0.299985      8.357965
  H      -3.054753      0.907411      9.006760
  H      -5.811138      6.896386      8.289050
  H      -7.154848      5.734528      8.376197
  H      -7.855745      4.944492      6.181326
  H      -7.193665      3.770301      4.071302
  H      -3.656042      5.633542      6.961975
  H      -7.306398      3.412914      8.436807
  H      -2.447937     -3.182529      8.687725
  H      -4.151483     -2.685924      8.468501
  H      -3.765845     -4.399567      8.690393
  H      -1.491450     -2.818238      6.765444
  H       0.149109     -2.520081      5.217740
  H       0.787454     -2.245273      2.817022
  H      -2.682316     -2.427006     -0.404496
  H      -4.437184     -2.783584     -0.507779
  H      -6.091137     -1.334830      0.786055
  H      -6.492858      0.807628      2.003362
  H      -1.892540     -0.308172      0.595069
  H      -3.853286     -3.574615      3.984169
  H      -6.137424     -7.312602     13.645578
  H      -6.892943     -5.701171     13.453808
  H      -7.898661     -7.154093     13.724646
  H      -7.055504     -5.075676     11.399254
  H      -7.395346     -8.027814      9.149820
  H      -7.551719     -7.729442      6.665046
  H      -8.090618     -3.138384      5.166388
  H      -6.359809     -3.415771      5.109688
  H      -8.997254     -0.920004      4.740822
  H      -8.519922      1.462818      4.147453
  H      -4.793897     -1.415669      5.504427
  H      -7.022206     -3.747612      9.560050
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.956367979382
  N      -2.946839      4.293251      4.590441
  Mo     -3.548910      2.647572      3.546418
  N      -4.162462      1.163195      4.816519
  C      -3.068437      0.362137      5.374449
  C      -1.878196      1.261606      5.627636
  N      -1.568671      2.066712      4.412876
  C      -0.806649      3.302045      4.777897
  C      -1.745774      4.328161      5.398110
  C      -0.804676      1.276656      3.403691
  C      -1.002239      1.932355      2.038612
  N      -2.426482      2.183583      1.866867
  H      -1.261612      5.320936      5.391783
  H      -1.962423      4.087216      6.456575
  H      -0.391219      3.712809      3.849479
  H       0.031509      3.043122      5.447382
  H      -0.588418      1.293885      1.241180
  H      -0.468068      2.892075      1.981824
  H      -1.228547      0.263587      3.381044
  H       0.256285      1.199909      3.701620
  H      -3.352271     -0.090232      6.340266
  H      -2.800473     -0.472646      4.700316
  H      -2.134097      1.966294      6.430504
  H      -0.991068      0.683894      5.944585
  C      -9.811553      0.102931      7.579512
  C      -8.788392      1.198655      7.795063
  O      -9.111770      2.389530      7.785737
  N      -7.512242      0.746769      8.026145
  C      -6.381275      1.494099      8.367411
  C      -5.169313      0.799746      8.541388
  C      -4.011983      1.478885      8.906626
  C      -4.061060      2.852640      9.114148
  F      -2.902367      3.492828      9.420782
  C      -5.245089      3.578286      8.942945
  C      -5.297178      5.065228      9.124201
  O      -4.678369      5.632563     10.011498
  C      -6.125205      5.853910      8.096428
  C      -5.816324      5.374519      6.702674
  C      -6.806777      4.891109      5.838439
  C      -6.428000      4.239879      4.665679
  N      -5.142904      4.082163      4.319511
  C      -4.177790      4.628773      5.111993
  C      -4.476671      5.277108      6.313107
  C      -6.399663      2.882571      8.554646
  C      -3.392206     -3.470140      8.224626
  C      -3.351870     -3.647510      6.721193
  O      -4.287295     -4.151255      6.101385
  N      -2.212379     -3.171194      6.114452
  C      -1.911208     -3.080876      4.740612
  C      -0.595807     -2.718987      4.395516
  C      -0.244523     -2.555939      3.059254
  C      -1.208111     -2.730902      2.074799
  F      -0.801664     -2.586643      0.780326
  C      -2.532439     -3.077393      2.373044
  C      -3.638325     -3.266539      1.373488
  O      -4.574269     -4.020772      1.637455
  C      -3.675858     -2.379144      0.127878
  C      -3.964926     -0.984580      0.626224
  C      -5.280780     -0.616795      0.985903
  C      -5.501429      0.572130      1.660676
  N      -4.497751      1.421137      1.968410
  C      -3.241944      1.142405      1.492792
  C      -2.933388     -0.073164      0.868735
  C      -2.856317     -3.275017      3.729071
  C      -6.970716     -6.779430     13.227947
  C      -7.075225     -7.091481     11.748165
  O      -7.137371     -8.246995     11.331338
  N      -7.098599     -5.980816     10.933040
  C      -7.194902     -5.908810      9.531637
  C      -7.347611     -7.039013      8.705352
  C      -7.438567     -6.867521      7.326459
  C      -7.376400     -5.597514      6.769107
  F      -7.477579     -5.508198      5.420118
  C      -7.218057     -4.445963      7.558421
  C      -7.104950     -3.045451      7.065457
  O      -6.977195     -2.130548      7.891863
  C      -7.127982     -2.769515      5.573153
  C      -6.901444     -1.330524      5.207903
  C      -7.966567     -0.516228      4.804976
  C      -7.684719      0.809571      4.480375
  N      -6.463911      1.344846      4.495981
  C      -5.414980      0.569961      4.862775
  C      -5.621932     -0.780808      5.246182
  C      -7.134520     -4.642791      8.947766
  H     -10.336600      0.287837      6.633518
  H      -9.378263     -0.904267      7.566967
  H     -10.554629      0.167202      8.387420
  H      -7.351862     -0.262032      7.910273
  H      -5.144189     -0.279998      8.381101
  H      -3.064295      0.953467      9.030551
  H      -5.864755      6.911892      8.242518
  H      -7.198076      5.737695      8.317171
  H      -7.861279      4.952372      6.107220
  H      -7.166536      3.780957      4.011348
  H      -3.674782      5.633779      6.961107
  H      -7.334336      3.413872      8.400828
  H      -2.426612     -3.190980      8.666332
  H      -4.128922     -2.685720      8.457663
  H      -3.751268     -4.400690      8.682345
  H      -1.481876     -2.837238      6.736372
  H       0.154171     -2.571470      5.175670
  H       0.775013     -2.299787      2.769966
  H      -2.726705     -2.415147     -0.419636
  H      -4.485876     -2.753581     -0.510936
  H      -6.116421     -1.288238      0.787462
  H      -6.491946      0.848286      2.019334
  H      -1.906615     -0.308033      0.591357
  H      -3.874862     -3.561538      3.974636
  H      -6.111009     -7.324774     13.639612
  H      -6.862469     -5.710702     13.454432
  H      -7.871237     -7.160756     13.729261
  H      -7.034091     -5.081905     11.401829
  H      -7.391618     -8.029618      9.149429
  H      -7.557999     -7.726474      6.665653
  H      -8.091573     -3.126255      5.173770
  H      -6.362067     -3.413924      5.116217
  H      -8.984526     -0.903455      4.751020
  H      -8.496874      1.484594      4.185374
  H      -4.785530     -1.421878      5.519654
  H      -7.010719     -3.750654      9.565578
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.957076155263
  N      -2.931811      4.298345      4.590236
  Mo     -3.521944      2.646767      3.566498
  N      -4.139898      1.163374      4.838281
  C      -3.048291      0.362787      5.403253
  C      -1.857709      1.262922      5.653726
  N      -1.552310      2.067513      4.436525
  C      -0.793931      3.306927      4.798659
  C      -1.738433      4.332328      5.410941
  C      -0.790844      1.271610      3.428877
  C      -0.989164      1.912820      2.058823
  N      -2.412848      2.171778      1.885955
  H      -1.256081      5.325752      5.411154
  H      -1.966887      4.087430      6.465873
  H      -0.375970      3.712625      3.868930
  H       0.041151      3.052954      5.473707
  H      -0.580836      1.264336      1.266930
  H      -0.449848      2.869379      1.992762
  H      -1.215207      0.258604      3.417229
  H       0.270650      1.198219      3.726086
  H      -3.337185     -0.083366      6.370331
  H      -2.779232     -0.476438      4.735052
  H      -2.111748      1.969132      6.455951
  H      -0.968592      0.686990      5.967465
  C      -9.810615      0.083681      7.590499
  C      -8.789569      1.183890      7.792999
  O      -9.114714      2.374107      7.762697
  N      -7.514045      0.737942      8.038829
  C      -6.386577      1.493941      8.373397
  C      -5.171109      0.808023      8.557417
  C      -4.018078      1.496983      8.919037
  C      -4.075628      2.872403      9.113241
  F      -2.921581      3.522252      9.417723
  C      -5.263061      3.589603      8.930463
  C      -5.325225      5.077112      9.099834
  O      -4.720971      5.654574      9.990977
  C      -6.153103      5.849699      8.061057
  C      -5.826645      5.368740      6.672298
  C      -6.804796      4.885013      5.793053
  C      -6.413781      4.242400      4.620955
  N      -5.123852      4.092356      4.281948
  C      -4.169172      4.636295      5.096311
  C      -4.481490      5.274015      6.297951
  C      -6.412352      2.884311      8.544674
  C      -3.390514     -3.495031      8.208219
  C      -3.350284     -3.674835      6.704927
  O      -4.280263     -4.190703      6.087039
  N      -2.218412     -3.183528      6.095609
  C      -1.923431     -3.087123      4.721135
  C      -0.609806     -2.722765      4.370787
  C      -0.266306     -2.552034      3.033530
  C      -1.234733     -2.722356      2.053315
  F      -0.836661     -2.568101      0.757256
  C      -2.557579     -3.070992      2.356575
  C      -3.671924     -3.249479      1.365697
  O      -4.615950     -3.991843      1.636279
  C      -3.706349     -2.364058      0.118546
  C      -3.983500     -0.968119      0.620430
  C      -5.294715     -0.591872      0.986841
  C      -5.503400      0.595112      1.669504
  N      -4.491953      1.433595      1.977802
  C      -3.236370      1.144834      1.499427
  C      -2.942166     -0.068307      0.864349
  C      -2.873880     -3.275954      3.713882
  C      -6.969291     -6.778481     13.233254
  C      -7.081389     -7.091188     11.754084
  O      -7.157776     -8.246524     11.339007
  N      -7.094246     -5.981396     10.937722
  C      -7.192586     -5.909650      9.536281
  C      -7.356035     -7.039292      8.711414
  C      -7.447297     -6.867986      7.332367
  C      -7.374619     -5.599245      6.773835
  F      -7.477497     -5.510315      5.424934
  C      -7.204873     -4.447832      7.561594
  C      -7.078808     -3.049791      7.067717
  O      -6.957022     -2.133444      7.894438
  C      -7.104929     -2.772437      5.575407
  C      -6.878689     -1.332412      5.212780
  C      -7.943109     -0.516478      4.812329
  C      -7.661980      0.813019      4.501645
  N      -6.441778      1.349333      4.524498
  C      -5.392770      0.571226      4.882361
  C      -5.599725     -0.781763      5.256428
  C      -7.122217     -4.644582      8.951473
  H     -10.339755      0.260840      6.645350
  H      -9.375112     -0.922502      7.584058
  H     -10.550482      0.152016      8.401121
  H      -7.349680     -0.271736      7.932939
  H      -5.139844     -0.272822      8.406831
  H      -3.067933      0.977848      9.050246
  H      -5.910992      6.912621      8.203264
  H      -7.225895      5.718740      8.274286
  H      -7.863074      4.942877      6.047974
  H      -7.145104      3.786939      3.956052
  H      -3.686827      5.625901      6.957361
  H      -7.348890      3.408840      8.380068
  H      -2.427027     -3.205584      8.647960
  H      -4.134467     -2.717545      8.441582
  H      -3.739752     -4.428264      8.667910
  H      -1.490291     -2.841123      6.715728
  H       0.144132     -2.578476      5.147718
  H       0.751280     -2.293194      2.739631
  H      -2.758869     -2.405885     -0.431226
  H      -4.520725     -2.734010     -0.517390
  H      -6.137244     -1.254673      0.788595
  H      -6.491182      0.876776      2.031327
  H      -1.918520     -0.312140      0.582820
  H      -3.891233     -3.563138      3.963108
  H      -6.114288     -7.332469     13.643181
  H      -6.848868     -5.710687     13.457974
  H      -7.872397     -7.149445     13.737664
  H      -7.018172     -5.082763     11.405365
  H      -7.408135     -8.029053      9.156440
  H      -7.575123     -7.726366      6.672377
  H      -8.069354     -3.127797      5.177166
  H      -6.339586     -3.416389      5.116751
  H      -8.960586     -0.904040      4.753022
  H      -8.474836      1.491134      4.215958
  H      -4.763951     -1.423896      5.529336
  H      -6.989662     -3.753120      9.568412
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.957565141276
  N      -2.916316      4.297172      4.598094
  Mo     -3.499553      2.636491      3.595443
  N      -4.127985      1.157047      4.864859
  C      -3.043037      0.358485      5.444769
  C      -1.851826      1.257157      5.698852
  N      -1.537753      2.055596      4.480693
  C      -0.783389      3.298773      4.836895
  C      -1.731889      4.330354      5.433078
  C      -0.775837      1.254170      3.478703
  C      -0.971151      1.884958      2.101135
  N      -2.391477      2.151344      1.924375
  H      -1.246086      5.321949      5.435144
  H      -1.975063      4.090515      6.485772
  H      -0.360325      3.694858      3.905038
  H       0.047595      3.054382      5.520508
  H      -0.565628      1.225283      1.317098
  H      -0.425833      2.837623      2.025310
  H      -1.198373      0.240459      3.477137
  H       0.286444      1.184683      3.774585
  H      -3.343167     -0.079717      6.412127
  H      -2.769526     -0.486871      4.786013
  H      -2.108591      1.967491      6.496491
  H      -0.965525      0.680489      6.019160
  C      -9.801998      0.063125      7.587440
  C      -8.790438      1.172682      7.786044
  O      -9.123914      2.360287      7.739516
  N      -7.514588      0.738720      8.051665
  C      -6.394984      1.508445      8.385010
  C      -5.175798      0.834758      8.588400
  C      -4.031600      1.538023      8.950494
  C      -4.101540      2.915424      9.124856
  F      -2.955479      3.578635      9.430106
  C      -5.292492      3.620993      8.921421
  C      -5.366494      5.110358      9.071143
  O      -4.774801      5.702334      9.961358
  C      -6.187416      5.865226      8.013254
  C      -5.838237      5.375738      6.633001
  C      -6.801165      4.892555      5.739479
  C      -6.393524      4.251225      4.572379
  N      -5.098739      4.104694      4.248501
  C      -4.159286      4.642655      5.080820
  C      -4.486980      5.277188      6.279062
  C      -6.433075      2.901284      8.536367
  C      -3.367245     -3.503567      8.190527
  C      -3.340991     -3.687013      6.687288
  O      -4.277427     -4.202216      6.078752
  N      -2.213193     -3.200431      6.066767
  C      -1.930362     -3.107928      4.689178
  C      -0.614160     -2.764543      4.327425
  C      -0.279498     -2.599990      2.986932
  C      -1.258898     -2.754733      2.015507
  F      -0.867937     -2.610530      0.716066
  C      -2.585923     -3.079675      2.330200
  C      -3.712874     -3.233428      1.350676
  O      -4.671407     -3.953457      1.630368
  C      -3.742921     -2.345068      0.104606
  C      -4.003421     -0.948358      0.615265
  C      -5.311775     -0.559696      0.983936
  C      -5.507854      0.623741      1.676612
  N      -4.486019      1.445172      1.993552
  C      -3.231363      1.143854      1.516659
  C      -2.950070     -0.064424      0.868395
  C      -2.893125     -3.280048      3.690838
  C      -6.938142     -6.789294     13.229700
  C      -7.058949     -7.098909     11.750569
  O      -7.139090     -8.253425     11.333802
  N      -7.075224     -5.987495     10.936553
  C      -7.180758     -5.912561      9.535659
  C      -7.345886     -7.040532      8.708696
  C      -7.443248     -6.865664      7.330432
  C      -7.374856     -5.595369      6.775111
  F      -7.482458     -5.502301      5.426778
  C      -7.204658     -4.445470      7.564980
  C      -7.083647     -3.047079      7.072775
  O      -6.953643     -2.131323      7.899400
  C      -7.106108     -2.770485      5.580280
  C      -6.874465     -1.331469      5.219288
  C      -7.934161     -0.511530      4.814423
  C      -7.648629      0.818958      4.512361
  N      -6.427432      1.352457      4.545611
  C      -5.382711      0.568559      4.902582
  C      -5.594069     -0.784346      5.271049
  C      -7.115547     -4.645852      8.954075
  H     -10.332734      0.232964      6.641826
  H      -9.358280     -0.939512      7.584878
  H     -10.542234      0.127592      8.398112
  H      -7.339943     -0.270196      7.954164
  H      -5.134988     -0.248042      8.452894
  H      -3.078554      1.028314      9.096729
  H      -5.958873      6.932149      8.148283
  H      -7.261656      5.725553      8.212823
  H      -7.863453      4.952541      5.977235
  H      -7.116020      3.800727      3.894634
  H      -3.700256      5.623373      6.950765
  H      -7.371836      3.415691      8.353748
  H      -2.398091     -3.220163      8.621679
  H      -4.103640     -2.719820      8.427823
  H      -3.719628     -4.433144      8.655240
  H      -1.478130     -2.860011      6.679711
  H       0.148823     -2.632966      5.097725
  H       0.739816     -2.359151      2.683932
  H      -2.798805     -2.393869     -0.450169
  H      -4.564663     -2.704016     -0.528025
  H      -6.161879     -1.210666      0.779185
  H      -6.493050      0.914894      2.038061
  H      -1.928890     -0.317868      0.586480
  H      -3.913297     -3.550228      3.948371
  H      -6.080940     -7.344394     13.633485
  H      -6.815968     -5.721990     13.455830
  H      -7.838423     -7.160947     13.738616
  H      -6.995533     -5.089895     11.405530
  H      -7.394313     -8.031513      9.151341
  H      -7.572125     -7.722503      6.668654
  H      -8.070332     -3.123717      5.179908
  H      -6.341114     -3.416056      5.123382
  H      -8.952241     -0.896388      4.747147
  H      -8.458597      1.501139      4.227882
  H      -4.761597     -1.428943      5.548275
  H      -6.982183     -3.755769      9.572857
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.957914822924
  N      -2.895302      4.304434      4.601597
  Mo     -3.472522      2.636296      3.615858
  N      -4.107019      1.158627      4.884055
  C      -3.026483      0.362738      5.474814
  C      -1.835898      1.261604      5.729770
  N      -1.521377      2.055377      4.508830
  C      -0.767504      3.300585      4.861079
  C      -1.719559      4.335220      5.448564
  C      -0.760143      1.246429      3.510908
  C      -0.954724      1.862880      2.127093
  N      -2.373350      2.136176      1.947325
  H      -1.232533      5.326008      5.455207
  H      -1.973889      4.095949      6.498656
  H      -0.341005      3.691068      3.928448
  H       0.060805      3.061023      5.549521
  H      -0.553391      1.190541      1.351628
  H      -0.403527      2.811009      2.038741
  H      -1.182890      0.232804      3.518106
  H       0.302340      1.179192      3.806488
  H      -3.333894     -0.069454      6.443118
  H      -2.748879     -0.487437      4.823734
  H      -2.094080      1.974590      6.524550
  H      -0.949648      0.686205      6.052490
  C      -9.827697      0.060565      7.581944
  C      -8.818850      1.171302      7.787076
  O      -9.155157      2.358452      7.745918
  N      -7.541822      0.738020      8.048619
  C      -6.420681      1.508274      8.377815
  C      -5.201361      0.834900      8.580485
  C      -4.056717      1.538308      8.940531
  C      -4.125882      2.915776      9.112824
  F      -2.979598      3.579601      9.415967
  C      -5.316636      3.620952      8.908874
  C      -5.391575      5.110426      9.054493
  O      -4.798806      5.706535      9.941023
  C      -6.206222      5.858209      7.987488
  C      -5.842044      5.366612      6.611439
  C      -6.795151      4.884800      5.706155
  C      -6.376298      4.249546      4.538594
  N      -5.078564      4.112483      4.221205
  C      -4.144109      4.647264      5.072464
  C      -4.486329      5.269374      6.272601
  C      -6.457841      2.901164      8.526521
  C      -3.362518     -3.536513      8.171709
  C      -3.341862     -3.711465      6.667556
  O      -4.275105     -4.234749      6.060564
  N      -2.221995     -3.209831      6.044514
  C      -1.945062     -3.112945      4.665830
  C      -0.630413     -2.768431      4.299877
  C      -0.300346     -2.603794      2.957950
  C      -1.283315     -2.758804      1.990411
  F      -0.896376     -2.615146      0.689676
  C      -2.610032     -3.081458      2.310106
  C      -3.741670     -3.224766      1.335689
  O      -4.707039     -3.934338      1.618197
  C      -3.768420     -2.331792      0.092789
  C      -4.017616     -0.935981      0.612308
  C      -5.321009     -0.536894      0.985379
  C      -5.501994      0.644482      1.685619
  N      -4.472015      1.454397      2.005856
  C      -3.222514      1.140694      1.529659
  C      -2.955724     -0.065098      0.872084
  C      -2.911776     -3.282548      3.671465
  C      -6.913701     -6.782034     13.238066
  C      -7.038891     -7.092328     11.759453
  O      -7.120327     -8.247092     11.343556
  N      -7.057249     -5.981379     10.944925
  C      -7.166476     -5.907326      9.544135
  C      -7.330795     -7.036193      8.718219
  C      -7.432052     -6.862175      7.340114
  C      -7.367638     -5.592086      6.783882
  F      -7.479859     -5.500489      5.435871
  C      -7.198237     -4.440970      7.572709
  C      -7.081122     -3.042165      7.080516
  O      -6.950158     -2.127054      7.907796
  C      -7.096930     -2.764588      5.587680
  C      -6.859137     -1.325861      5.228792
  C      -7.915384     -0.502094      4.821758
  C      -7.626651      0.828813      4.524468
  N      -6.404651      1.359966      4.562821
  C      -5.362886      0.571935      4.919263
  C      -5.577266     -0.781203      5.285346
  C      -7.105699     -4.640820      8.961809
  H     -10.369712      0.243066      6.645120
  H      -9.379493     -0.939793      7.558900
  H     -10.558955      0.108447      8.401929
  H      -7.365753     -0.270130      7.945853
  H      -5.161428     -0.247856      8.446802
  H      -3.103777      1.028402      9.086870
  H      -5.985798      6.927132      8.120231
  H      -7.281472      5.713065      8.177425
  H      -7.859788      4.942775      5.933840
  H      -7.092518      3.803903      3.851054
  H      -3.706873      5.610305      6.955299
  H      -7.396856      3.414936      8.343512
  H      -2.393095     -3.250115      8.600298
  H      -4.101962     -2.758340      8.416246
  H      -3.707727     -4.470650      8.632440
  H      -1.487687     -2.864760      6.655723
  H       0.135276     -2.637583      5.067598
  H       0.717967     -2.363541      2.651242
  H      -2.825511     -2.383401     -0.463632
  H      -4.594033     -2.681262     -0.539904
  H      -6.178075     -1.177900      0.778623
  H      -6.483709      0.944237      2.049509
  H      -1.937274     -0.328106      0.589126
  H      -3.931364     -3.551724      3.931561
  H      -6.054779     -7.336293     13.639363
  H      -6.791596     -5.714542     13.463380
  H      -7.812083     -7.154178     13.749955
  H      -6.976352     -5.083500     11.413175
  H      -7.376077     -8.027030      9.161530
  H      -7.560931     -7.719648      6.679157
  H      -8.060658     -3.114660      5.183449
  H      -6.332179     -3.412311      5.132974
  H      -8.934162     -0.884308      4.749942
  H      -8.434565      1.513526      4.240170
  H      -4.746657     -1.427560      5.564469
  H      -6.973232     -3.750158      9.580016
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.958199028535
  N      -2.886288      4.321672      4.587320
  Mo     -3.455113      2.635347      3.627186
  N      -4.089895      1.160365      4.897002
  C      -3.011011      0.375632      5.505406
  C      -1.825456      1.281856      5.760032
  N      -1.508026      2.065396      4.533075
  C      -0.759592      3.317162      4.873353
  C      -1.716759      4.357159      5.444236
  C      -0.742570      1.248663      3.543945
  C      -0.937326      1.848535      2.150834
  N      -2.353895      2.124843      1.967642
  H      -1.228662      5.347435      5.448220
  H      -1.980797      4.125676      6.493625
  H      -0.331509      3.698038      3.937464
  H       0.067363      3.089686      5.567619
  H      -0.537830      1.162802      1.386031
  H      -0.381830      2.792813      2.048202
  H      -1.160201      0.233225      3.562098
  H       0.320381      1.189062      3.839467
  H      -3.325475     -0.047371      6.475559
  H      -2.723098     -0.481051      4.867349
  H      -2.090635      2.000717      6.547261
  H      -0.938925      0.712324      6.092509
  C      -9.812668      0.032734      7.612445
  C      -8.814674      1.153521      7.815571
  O      -9.161629      2.337275      7.768772
  N      -7.534284      0.732952      8.079885
  C      -6.418802      1.515327      8.398523
  C      -5.195450      0.852480      8.610484
  C      -4.055385      1.568475      8.959271
  C      -4.133171      2.947835      9.111443
  F      -2.991149      3.623182      9.405493
  C      -5.328242      3.642845      8.897651
  C      -5.411299      5.134299      9.022431
  O      -4.824028      5.745188      9.902339
  C      -6.230989      5.863468      7.946785
  C      -5.853212      5.368856      6.575373
  C      -6.796396      4.879983      5.664385
  C      -6.363672      4.248779      4.499809
  N      -5.062777      4.123025      4.189570
  C      -4.140252      4.660391      5.046939
  C      -4.495330      5.279089      6.245503
  C      -6.465049      2.910156      8.526369
  C      -3.383697     -3.590948      8.142219
  C      -3.356213     -3.758677      6.637372
  O      -4.279132     -4.293963      6.025315
  N      -2.244185     -3.234100      6.019301
  C      -1.966205     -3.127822      4.641262
  C      -0.652467     -2.776796      4.278685
  C      -0.320827     -2.606960      2.937483
  C      -1.302245     -2.761533      1.968268
  F      -0.913465     -2.613329      0.668537
  C      -2.629307     -3.085245      2.285452
  C      -3.761369     -3.217228      1.310553
  O      -4.732522     -3.919731      1.591037
  C      -3.784538     -2.316174      0.072865
  C      -4.023763     -0.922754      0.603817
  C      -5.324397     -0.516636      0.979728
  C      -5.495794      0.661257      1.688370
  N      -4.460178      1.461751      2.012365
  C      -3.213337      1.140691      1.537638
  C      -2.955220     -0.061992      0.871566
  C      -2.931706     -3.294164      3.645312
  C      -6.922994     -6.794331     13.244680
  C      -7.049709     -7.101166     11.765478
  O      -7.140684     -8.254568     11.347746
  N      -7.057762     -5.988850     10.952691
  C      -7.165414     -5.911706      9.551952
  C      -7.336737     -7.038091      8.723984
  C      -7.436183     -6.861020      7.346090
  C      -7.363019     -5.590423      6.792174
  F      -7.474670     -5.495377      5.444299
  C      -7.185415     -4.441997      7.583034
  C      -7.057779     -3.043530      7.092613
  O      -6.933784     -2.128386      7.921155
  C      -7.078414     -2.764589      5.599899
  C      -6.840997     -1.326193      5.241008
  C      -7.897191     -0.503018      4.832633
  C      -7.608765      0.827114      4.532508
  N      -6.386806      1.358782      4.571142
  C      -5.345435      0.571528      4.930671
  C      -5.559245     -0.780983      5.298149
  C      -7.095548     -4.644693      8.971836
  H     -10.363563      0.214258      6.680717
  H      -9.353437     -0.962415      7.581004
  H     -10.538124      0.067791      8.438293
  H      -7.349153     -0.274092      7.983717
  H      -5.148876     -0.232008      8.492683
  H      -3.099240      1.066807      9.113162
  H      -6.026414      6.936315      8.073160
  H      -7.305231      5.704303      8.131077
  H      -7.863013      4.931204      5.884276
  H      -7.071945      3.800998      3.805257
  H      -3.722256      5.623460      6.933678
  H      -7.408044      3.414488      8.336743
  H      -2.419036     -3.295348      8.575295
  H      -4.132773     -2.822147      8.387491
  H      -3.719675     -4.531123      8.597418
  H      -1.515788     -2.881999      6.633536
  H       0.111732     -2.646780      5.048010
  H       0.697395     -2.363550      2.633023
  H      -2.843068     -2.368621     -0.485650
  H      -4.613609     -2.655391     -0.560768
  H      -6.185946     -1.149963      0.768341
  H      -6.475122      0.967064      2.053939
  H      -1.938230     -0.330849      0.588925
  H      -3.951690     -3.565721      3.902273
  H      -6.068463     -7.355719     13.645463
  H      -6.792949     -5.728184     13.471912
  H      -7.824412     -7.160596     13.755460
  H      -6.969923     -5.092389     11.422363
  H      -7.389198     -8.029325      9.165614
  H      -7.570761     -7.716438      6.683613
  H      -8.043090     -3.114640      5.197740
  H      -6.315380     -3.412109      5.142302
  H      -8.915954     -0.885339      4.761203
  H      -8.416849      1.510976      4.246766
  H      -4.728382     -1.426139      5.579200
  H      -6.957422     -3.756030      9.591678
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.958438975334
  N      -2.874282      4.340593      4.568299
  Mo     -3.443221      2.636777      3.633743
  N      -4.084183      1.168181      4.906041
  C      -3.011601      0.392684      5.536598
  C      -1.830191      1.304778      5.790611
  N      -1.506244      2.073012      4.555183
  C      -0.755546      3.326714      4.880852
  C      -1.711350      4.375465      5.434924
  C      -0.737354      1.240209      3.581301
  C      -0.926000      1.814981      2.177406
  N      -2.338981      2.099678      1.989292
  H      -1.217462      5.362887      5.435604
  H      -1.985489      4.153198      6.483606
  H      -0.324193      3.694433      3.941194
  H       0.069070      3.107108      5.580553
  H      -0.532018      1.108342      1.428866
  H      -0.360045      2.750886      2.055570
  H      -1.154182      0.224689      3.613348
  H       0.324499      1.186073      3.881347
  H      -3.336816     -0.018088      6.508595
  H      -2.713309     -0.472832      4.914967
  H      -2.102052      2.032721      6.567101
  H      -0.945294      0.740549      6.136170
  C      -9.806635      0.020880      7.617536
  C      -8.817263      1.148686      7.824570
  O      -9.174062      2.329712      7.788647
  N      -7.534790      0.736517      8.089521
  C      -6.423704      1.525043      8.406312
  C      -5.200245      0.866427      8.630119
  C      -4.062884      1.588137      8.975251
  C      -4.143560      2.968888      9.111802
  F      -3.003568      3.649043      9.403537
  C      -5.338911      3.659891      8.885731
  C      -5.421821      5.152958      8.992506
  O      -4.839890      5.773594      9.869193
  C      -6.243732      5.868838      7.910919
  C      -5.853202      5.372751      6.543407
  C      -6.790347      4.883966      5.624116
  C      -6.349035      4.259089      4.459897
  N      -5.045940      4.139771      4.156674
  C      -4.128467      4.674877      5.023714
  C      -4.492659      5.286033      6.223488
  C      -6.473364      2.921110      8.518628
  C      -3.365102     -3.643694      8.135753
  C      -3.349391     -3.793749      6.628782
  O      -4.271654     -4.331419      6.017885
  N      -2.248998     -3.247663      6.008340
  C      -1.977056     -3.134387      4.629618
  C      -0.665577     -2.779275      4.263156
  C      -0.337958     -2.609413      2.920878
  C      -1.321599     -2.768391      1.954707
  F      -0.936920     -2.623978      0.653296
  C      -2.647332     -3.091684      2.276200
  C      -3.783569     -3.216877      1.305406
  O      -4.755936     -3.918210      1.585321
  C      -3.805064     -2.314537      0.068398
  C      -4.034152     -0.920902      0.603131
  C      -5.331987     -0.505569      0.979855
  C      -5.493998      0.671431      1.693247
  N      -4.451698      1.460583      2.020151
  C      -3.206004      1.128932      1.549402
  C      -2.957589     -0.071176      0.875971
  C      -2.945968     -3.300462      3.636850
  C      -6.913420     -6.821241     13.235924
  C      -7.039763     -7.119872     11.754993
  O      -7.128421     -8.271088     11.330760
  N      -7.050245     -6.002954     10.948598
  C      -7.159181     -5.917895      9.548406
  C      -7.326720     -7.040007      8.713841
  C      -7.427952     -6.855223      7.336973
  C      -7.360003     -5.581203      6.790488
  F      -7.473736     -5.478359      5.443406
  C      -7.185826     -4.436943      7.587996
  C      -7.063199     -3.035541      7.105272
  O      -6.938134     -2.124102      7.938255
  C      -7.076591     -2.751123      5.613640
  C      -6.839238     -1.311835      5.258456
  C      -7.894502     -0.488301      4.848598
  C      -7.604426      0.840454      4.544043
  N      -6.381324      1.370627      4.579446
  C      -5.341500      0.582914      4.942258
  C      -5.557379     -0.767197      5.315590
  C      -7.094326     -4.647229      8.975621
  H     -10.371061      0.210966      6.695700
  H      -9.337749     -0.968809      7.565223
  H     -10.521946      0.035355      8.452959
  H      -7.343055     -0.269532      7.994905
  H      -5.151380     -0.219051      8.523855
  H      -3.106585      1.089851      9.139000
  H      -6.051460      6.944412      8.033355
  H      -7.317454      5.698678      8.088180
  H      -7.858510      4.933751      5.836756
  H      -7.052079      3.815980      3.756782
  H      -3.724872      5.630240      6.917608
  H      -7.417491      3.420709      8.321152
  H      -2.397004     -3.352527      8.564168
  H      -4.112121     -2.878285      8.396788
  H      -3.696384     -4.589664      8.582065
  H      -1.520550     -2.893102      6.621121
  H       0.100552     -2.647424      5.030242
  H       0.679007     -2.364381      2.613508
  H      -2.865298     -2.370144     -0.492669
  H      -4.637754     -2.647720     -0.563589
  H      -6.198102     -1.131649      0.765789
  H      -6.470798      0.985129      2.058919
  H      -1.942416     -0.348309      0.595076
  H      -3.965216     -3.573608      3.895724
  H      -6.056620     -7.381837     13.632987
  H      -6.787120     -5.755999     13.469412
  H      -7.813209     -7.193822     13.744993
  H      -6.964761     -5.109022     11.423497
  H      -7.375024     -8.034002      9.149688
  H      -7.559771     -7.707253      6.669612
  H      -8.039077     -3.101197      5.206172
  H      -6.311005     -3.397224      5.157353
  H      -8.913928     -0.869143      4.778925
  H      -8.411342      1.524207      4.255008
  H      -4.726257     -1.411751      5.597771
  H      -6.959007     -3.761773      9.600594
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.958640920586
  N      -2.863756      4.356722      4.550750
  Mo     -3.434375      2.639196      3.631696
  N      -4.069732      1.171552      4.904323
  C      -2.998493      0.404358      5.547361
  C      -1.821117      1.322705      5.801184
  N      -1.494718      2.082322      4.561139
  C      -0.745955      3.338972      4.876698
  C      -1.703341      4.391622      5.421707
  C      -0.725669      1.241396      3.594057
  C      -0.916057      1.799864      2.183375
  N      -2.327978      2.088881      1.996065
  H      -1.206535      5.377650      5.419955
  H      -1.981418      4.174926      6.470429
  H      -0.315409      3.700824      3.934193
  H       0.079522      3.126528      5.577700
  H      -0.528545      1.079315      1.444858
  H      -0.343400      2.729857      2.046787
  H      -1.140505      0.225152      3.634785
  H       0.336490      1.191627      3.893528
  H      -3.328454     -0.000780      6.519930
  H      -2.692431     -0.464845      4.934284
  H      -2.098794      2.055359      6.571130
  H      -0.936740      0.763131      6.155560
  C      -9.821992      0.010196      7.665763
  C      -8.834381      1.141217      7.865291
  O      -9.195925      2.321012      7.839483
  N      -7.546796      0.733064      8.110964
  C      -6.433922      1.524179      8.414713
  C      -5.208903      0.866778      8.634173
  C      -4.068877      1.590493      8.965981
  C      -4.148317      2.972169      9.093689
  F      -3.006122      3.653604      9.374125
  C      -5.345250      3.661997      8.872167
  C      -5.427049      5.155529      8.973823
  O      -4.826966      5.780259      9.835368
  C      -6.248331      5.867614      7.890441
  C      -5.852216      5.369817      6.524623
  C      -6.787541      4.877428      5.603382
  C      -6.340854      4.256007      4.439930
  N      -5.036261      4.146610      4.139201
  C      -4.120886      4.683593      5.006336
  C      -4.491195      5.289954      6.207506
  C      -6.482469      2.921020      8.517753
  C      -3.387749     -3.708632      8.120325
  C      -3.367150     -3.835603      6.611077
  O      -4.273866     -4.388331      5.990400
  N      -2.278061     -3.254701      6.001775
  C      -1.998936     -3.126864      4.625765
  C      -0.689647     -2.753793      4.269615
  C      -0.354598     -2.576055      2.930117
  C      -1.329355     -2.745289      1.956669
  F      -0.936452     -2.597491      0.658008
  C      -2.653790     -3.082669      2.268224
  C      -3.783330     -3.215162      1.289861
  O      -4.752374     -3.923133      1.564545
  C      -3.807937     -2.308667      0.055594
  C      -4.034819     -0.916170      0.593567
  C      -5.330682     -0.499568      0.976607
  C      -5.488034      0.674635      1.695984
  N      -4.442271      1.458974      2.024021
  C      -3.199850      1.126105      1.548707
  C      -2.956245     -0.068495      0.865183
  C      -2.959529     -3.298917      3.626060
  C      -6.929859     -6.824934     13.240021
  C      -7.047502     -7.122079     11.758074
  O      -7.132663     -8.272940     11.332177
  N      -7.054069     -6.004306     10.952792
  C      -7.156040     -5.917712      9.552204
  C      -7.318236     -7.038994      8.715437
  C      -7.413280     -6.852768      7.338276
  C      -7.344412     -5.578150      6.793441
  F      -7.452766     -5.474107      5.446156
  C      -7.174946     -4.434678      7.593220
  C      -7.051766     -3.032730      7.112998
  O      -6.928229     -2.121892      7.947292
  C      -7.058950     -2.747101      5.621718
  C      -6.823171     -1.307515      5.266979
  C      -7.879110     -0.484872      4.856413
  C      -7.589612      0.842928      4.546908
  N      -6.366300      1.372997      4.578474
  C      -5.326950      0.586295      4.943654
  C      -5.541900     -0.762044      5.322049
  C      -7.089664     -4.646326      8.981101
  H     -10.406132      0.207472      6.758011
  H      -9.348723     -0.976084      7.592802
  H     -10.520253      0.010769      8.515628
  H      -7.353770     -0.272539      8.014584
  H      -5.161105     -0.219355      8.535647
  H      -3.111642      1.093203      9.127172
  H      -6.058772      6.943879      8.011192
  H      -7.321991      5.694458      8.063864
  H      -7.856033      4.923661      5.814833
  H      -7.039816      3.811515      3.733381
  H      -3.726851      5.639389      6.902900
  H      -7.428609      3.418998      8.326386
  H      -2.424324     -3.410208      8.554279
  H      -4.145296     -2.957667      8.392271
  H      -3.705847     -4.665916      8.551722
  H      -1.559112     -2.893349      6.621798
  H       0.069604     -2.615717      5.042412
  H       0.661666     -2.318515      2.630792
  H      -2.869748     -2.362878     -0.508394
  H      -4.642330     -2.640052     -0.575049
  H      -6.198169     -1.123996      0.763140
  H      -6.462342      0.989069      2.067622
  H      -1.942410     -0.344909      0.579259
  H      -3.977231     -3.585344      3.876496
  H      -6.073937     -7.384063     13.641057
  H      -6.807265     -5.759718     13.475544
  H      -7.831524     -7.200237     13.743734
  H      -6.972574     -5.110792     11.429168
  H      -7.367370     -8.033549      9.149893
  H      -7.540873     -7.704228      6.669380
  H      -8.019146     -3.098642      5.210131
  H      -6.290730     -3.392132      5.167755
  H      -8.898747     -0.865730      4.789989
  H      -8.396557      1.525368      4.255067
  H      -4.708742     -1.404033      5.604370
  H      -6.958149     -3.761495      9.607751
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.958754947543
  N      -2.854781      4.385766      4.537229
  Mo     -3.427450      2.652643      3.635124
  N      -4.056635      1.184969      4.905098
  C      -2.986897      0.429706      5.565914
  C      -1.817075      1.358385      5.819282
  N      -1.488931      2.107136      4.573076
  C      -0.740211      3.366063      4.877595
  C      -1.698717      4.422225      5.413950
  C      -0.716347      1.255336      3.618227
  C      -0.906477      1.790838      2.199534
  N      -2.317860      2.082996      2.014429
  H      -1.200111      5.407335      5.409904
  H      -1.980703      4.210592      6.462548
  H      -0.311450      3.721599      3.931569
  H       0.086726      3.159274      5.578402
  H      -0.528289      1.052350      1.474489
  H      -0.326071      2.713243      2.043699
  H      -1.127847      0.238122      3.670744
  H       0.344966      1.213282      3.921224
  H      -3.323101      0.031521      6.539138
  H      -2.669921     -0.442940      4.963195
  H      -2.104283      2.096708      6.580173
  H      -0.931899      0.807568      6.184996
  C      -9.808977     -0.006606      7.645704
  C      -8.831301      1.129254      7.867536
  O      -9.199161      2.307185      7.845144
  N      -7.540489      0.727661      8.107804
  C      -6.432014      1.522935      8.416625
  C      -5.206328      0.869643      8.646738
  C      -4.069794      1.597729      8.981297
  C      -4.153124      2.979959      9.100174
  F      -3.013384      3.665026      9.381917
  C      -5.350412      3.665528      8.867518
  C      -5.435505      5.159155      8.957754
  O      -4.837559      5.792425      9.814936
  C      -6.266670      5.858246      7.874790
  C      -5.860877      5.362872      6.510018
  C      -6.792007      4.865839      5.584889
  C      -6.336734      4.253432      4.421063
  N      -5.029899      4.160675      4.123209
  C      -4.117527      4.698908      4.993406
  C      -4.499048      5.294532      6.197923
  C      -6.484032      2.919974      8.511291
  C      -3.418173     -3.814425      8.082826
  C      -3.393447     -3.911829      6.571127
  O      -4.285617     -4.472983      5.937351
  N      -2.316152     -3.293572      5.976700
  C      -2.028604     -3.146274      4.604540
  C      -0.718917     -2.763151      4.260754
  C      -0.375009     -2.574338      2.925016
  C      -1.342020     -2.741361      1.943688
  F      -0.939507     -2.589329      0.648267
  C      -2.668080     -3.082654      2.243277
  C      -3.790796     -3.209365      1.255540
  O      -4.759517     -3.922579      1.517823
  C      -3.812652     -2.289205      0.031011
  C      -4.036391     -0.900653      0.580051
  C      -5.329120     -0.483366      0.972498
  C      -5.481344      0.684550      1.703252
  N      -4.431314      1.461752      2.037576
  C      -3.193223      1.127996      1.555150
  C      -2.955663     -0.056282      0.853851
  C      -2.982374     -3.311189      3.597239
  C      -6.941714     -6.813792     13.263321
  C      -7.055529     -7.112433     11.781348
  O      -7.145083     -8.263480     11.356864
  N      -7.052729     -5.995876     10.974391
  C      -7.150275     -5.910726      9.573341
  C      -7.316267     -7.032405      8.737906
  C      -7.407809     -6.847793      7.360229
  C      -7.331507     -5.574684      6.813121
  F      -7.439085     -5.473234      5.465933
  C      -7.156379     -4.430515      7.611525
  C      -7.023936     -3.030132      7.131279
  O      -6.898141     -2.119150      7.965929
  C      -7.031744     -2.742587      5.640456
  C      -6.801061     -1.302075      5.285237
  C      -7.861604     -0.482339      4.879769
  C      -7.577652      0.845022      4.563520
  N      -6.355349      1.378360      4.585906
  C      -5.313062      0.596008      4.949996
  C      -5.521545     -0.751926      5.332782
  C      -7.075407     -4.640668      9.000298
  H     -10.397176      0.204592      6.743622
  H      -9.326257     -0.986342      7.551001
  H     -10.505175     -0.031497      8.496849
  H      -7.342475     -0.276776      8.007199
  H      -5.154863     -0.216693      8.553421
  H      -3.112268      1.103886      9.150810
  H      -6.091939      6.937205      7.993468
  H      -7.338061      5.669765      8.045237
  H      -7.861065      4.905283      5.794397
  H      -7.028219      3.807550      3.708059
  H      -3.741159      5.649218      6.897748
  H      -7.430268      3.414684      8.312696
  H      -2.456673     -3.519126      8.523256
  H      -4.179364     -3.072846      8.369808
  H      -3.730839     -4.781854      8.494630
  H      -1.604774     -2.933179      6.605994
  H       0.034370     -2.628424      5.039949
  H       0.642465     -2.310990      2.634980
  H      -2.874751     -2.341619     -0.534193
  H      -4.647898     -2.613139     -0.602375
  H      -6.198816     -1.103699      0.755624
  H      -6.453217      0.998783      2.081115
  H      -1.943892     -0.329052      0.558411
  H      -4.000459     -3.603755      3.837783
  H      -6.088807     -7.375065     13.667815
  H      -6.816605     -5.748700     13.498078
  H      -7.846122     -7.185779     13.764547
  H      -6.969100     -5.102081     11.449902
  H      -7.371597     -8.026009      9.173810
  H      -7.538617     -7.699699      6.692529
  H      -7.990988     -3.095907      5.228244
  H      -6.262347     -3.385604      5.185275
  H      -8.880931     -0.865571      4.822127
  H      -8.388102      1.524304      4.274187
  H      -4.682547     -1.387790      5.612334
  H      -6.940077     -3.755731      9.625982
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.958831550607
  N      -2.854668      4.397740      4.524325
  Mo     -3.423663      2.655977      3.631946
  N      -4.051453      1.188870      4.903741
  C      -2.981816      0.440710      5.573997
  C      -1.816035      1.374666      5.826006
  N      -1.486266      2.117892      4.577002
  C      -0.740464      3.380020      4.876791
  C      -1.701357      4.438324      5.405157
  C      -0.709156      1.261801      3.629734
  C      -0.894514      1.789066      2.207189
  N      -2.305928      2.081345      2.017911
  H      -1.203182      5.423585      5.398494
  H      -1.986569      4.230795      6.453670
  H      -0.310543      3.731037      3.929535
  H       0.085283      3.177143      5.580005
  H      -0.517368      1.046033      1.486406
  H      -0.312915      2.710058      2.047338
  H      -1.120107      0.244801      3.687445
  H       0.350743      1.222824      3.938309
  H      -3.320540      0.047950      6.548035
  H      -2.661042     -0.434129      4.976692
  H      -2.108483      2.116250      6.581792
  H      -0.929938      0.829192      6.197353
  C      -9.824683     -0.018319      7.722888
  C      -8.844372      1.121764      7.909267
  O      -9.216029      2.298648      7.888897
  N      -7.549687      0.724238      8.136130
  C      -6.439355      1.522201      8.431807
  C      -5.213056      0.870040      8.661835
  C      -4.074395      1.599883      8.985236
  C      -4.156386      2.983073      9.093910
  F      -3.014778      3.668989      9.364875
  C      -5.354183      3.667788      8.861200
  C      -5.437641      5.161989      8.941275
  O      -4.839451      5.800033      9.794976
  C      -6.275351      5.855049      7.859363
  C      -5.866363      5.361073      6.495000
  C      -6.795069      4.856503      5.570981
  C      -6.336873      4.244859      4.408461
  N      -5.028843      4.159790      4.111651
  C      -4.120564      4.703360      4.980001
  C      -4.504560      5.299703      6.183401
  C      -6.489914      2.920117      8.515654
  C      -3.409222     -3.876029      8.057044
  C      -3.382566     -3.956316      6.544188
  O      -4.272140     -4.511854      5.902478
  N      -2.309971     -3.322674      5.957180
  C      -2.022497     -3.162274      4.586632
  C      -0.714335     -2.771346      4.245667
  C      -0.371701     -2.570005      2.911493
  C      -1.338231     -2.732971      1.929123
  F      -0.937709     -2.566896      0.634756
  C      -2.662756     -3.082571      2.225803
  C      -3.783936     -3.206003      1.236046
  O      -4.748935     -3.927157      1.489589
  C      -3.802447     -2.281866      0.014742
  C      -4.024351     -0.894933      0.567658
  C      -5.316373     -0.476488      0.959264
  C      -5.468546      0.689359      1.692566
  N      -4.417621      1.463108      2.034319
  C      -3.178722      1.127969      1.553620
  C      -2.942827     -0.053504      0.847241
  C      -2.976181     -3.322257      3.578331
  C      -6.968639     -6.802216     13.271430
  C      -7.071730     -7.102382     11.788963
  O      -7.152301     -8.254148     11.364626
  N      -7.070425     -5.986269     10.981441
  C      -7.160340     -5.902038      9.579878
  C      -7.315797     -7.024688      8.743664
  C      -7.399890     -6.840606      7.365427
  C      -7.326658     -5.567240      6.818545
  F      -7.425443     -5.466164      5.470856
  C      -7.162303     -4.422022      7.617898
  C      -7.032576     -3.022236      7.137638
  O      -6.903864     -2.110930      7.971880
  C      -7.030206     -2.737045      5.646451
  C      -6.797626     -1.297294      5.289207
  C      -7.856961     -0.477669      4.879703
  C      -7.571250      0.847957      4.558371
  N      -6.348444      1.379735      4.580074
  C      -5.307425      0.598286      4.948375
  C      -5.517615     -0.748282      5.336313
  C      -7.088288     -4.631755      9.007280
  H     -10.433943      0.182127      6.832671
  H      -9.342250     -0.998323      7.627944
  H     -10.501102     -0.035453      8.590013
  H      -7.351943     -0.280493      8.041343
  H      -5.163316     -0.217312      8.578866
  H      -3.116474      1.106752      9.154394
  H      -6.107933      6.935254      7.976733
  H      -7.345197      5.658882      8.030572
  H      -7.864115      4.889903      5.781537
  H      -7.023990      3.791773      3.696069
  H      -3.749126      5.661867      6.882103
  H      -7.436579      3.414126      8.318101
  H      -2.447171     -3.588016      8.501156
  H      -4.168568     -3.135907      8.352813
  H      -3.724460     -4.847323      8.457617
  H      -1.599274     -2.967773      6.590371
  H       0.038664     -2.640184      5.025751
  H       0.644417     -2.299453      2.623282
  H      -2.863398     -2.335662     -0.548749
  H      -4.636931     -2.603447     -0.621077
  H      -6.187351     -1.093216      0.736978
  H      -6.441161      1.005242      2.066600
  H      -1.931114     -0.325772      0.550499
  H      -3.993285     -3.620325      3.817284
  H      -6.114316     -7.357437     13.681263
  H      -6.852188     -5.736166     13.506332
  H      -7.873414     -7.180124     13.767524
  H      -6.994693     -5.091809     11.456973
  H      -7.368566     -8.018545      9.179331
  H      -7.521871     -7.693231      6.696964
  H      -7.986041     -3.091633      5.227619
  H      -6.257232     -3.380904      5.198374
  H      -8.876367     -0.860634      4.820579
  H      -8.380039      1.526378      4.262459
  H      -4.679028     -1.383280      5.618896
  H      -6.960874     -3.746149      9.633658
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.958843933950
  N      -2.846310      4.392059      4.534219
  Mo     -3.419582      2.644736      3.651683
  N      -4.053714      1.175401      4.918743
  C      -2.989095      0.431089      5.602729
  C      -1.824863      1.365623      5.856970
  N      -1.486555      2.102754      4.607362
  C      -0.739959      3.365247      4.902884
  C      -1.697509      4.429678      5.421552
  C      -0.706984      1.242730      3.666868
  C      -0.883966      1.764621      2.241471
  N      -2.292833      2.063200      2.047282
  H      -1.193407      5.411962      5.414226
  H      -1.990032      4.227350      6.469155
  H      -0.306687      3.708264      3.954334
  H       0.083161      3.165492      5.610296
  H      -0.509971      1.016042      1.524770
  H      -0.297268      2.681952      2.079445
  H      -1.119063      0.226865      3.728963
  H       0.351854      1.204562      3.980071
  H      -3.336614      0.045307      6.576248
  H      -2.665081     -0.447856      5.012885
  H      -2.121244      2.111382      6.607232
  H      -0.940939      0.821562      6.235695
  C      -9.798947     -0.017778      7.678823
  C      -8.822039      1.124169      7.869424
  O      -9.195571      2.300486      7.845190
  N      -7.529833      0.730020      8.113903
  C      -6.427863      1.533608      8.424174
  C      -5.200460      0.889432      8.669292
  C      -4.069938      1.627648      9.002785
  C      -4.161955      3.010736      9.107123
  F      -3.027553      3.704021      9.387880
  C      -5.361967      3.687472      8.861152
  C      -5.455109      5.180956      8.937429
  O      -4.850895      5.825021      9.782669
  C      -6.282661      5.868544      7.843725
  C      -5.862842      5.364115      6.486412
  C      -6.786002      4.857059      5.559173
  C      -6.324670      4.240129      4.401452
  N      -5.014433      4.155579      4.112083
  C      -4.110848      4.697744      4.984416
  C      -4.498110      5.297178      6.185018
  C      -6.488649      2.931265      8.504792
  C      -3.425691     -3.938453      8.022603
  C      -3.400787     -3.989055      6.508388
  O      -4.277162     -4.553898      5.857507
  N      -2.342628     -3.323068      5.930798
  C      -2.055039     -3.145875      4.562322
  C      -0.750303     -2.738540      4.227623
  C      -0.406150     -2.524341      2.895950
  C      -1.367284     -2.692922      1.909473
  F      -0.965710     -2.512524      0.617410
  C      -2.688659     -3.060342      2.199256
  C      -3.803713     -3.189771      1.204199
  O      -4.769078     -3.911279      1.454608
  C      -3.821783     -2.259528     -0.012202
  C      -4.031139     -0.875483      0.552171
  C      -5.320630     -0.451069      0.945515
  C      -5.466854      0.707467      1.690873
  N      -4.409686      1.466077      2.047210
  C      -3.168759      1.125959      1.566109
  C      -2.941400     -0.048617      0.845085
  C      -3.004616     -3.309221      3.550209
  C      -6.956697     -6.780352     13.296041
  C      -7.055176     -7.088405     11.814848
  O      -7.128309     -8.242713     11.396029
  N      -7.058995     -5.976301     11.001958
  C      -7.146931     -5.899024      9.599855
  C      -7.294666     -7.026331      8.768390
  C      -7.377790     -6.848508      7.389171
  C      -7.311060     -5.577133      6.836956
  F      -7.409629     -5.481284      5.488967
  C      -7.154053     -4.427392      7.631507
  C      -7.029792     -3.030944      7.143551
  O      -6.902282     -2.112878      7.971689
  C      -7.023277     -2.756949      5.650574
  C      -6.794027     -1.319082      5.286428
  C      -7.853781     -0.504169      4.869646
  C      -7.571188      0.822236      4.549978
  N      -6.350351      1.358696      4.579927
  C      -5.308567      0.581287      4.954383
  C      -5.516121     -0.766149      5.339929
  C      -7.080877     -4.630905      9.022179
  H     -10.402042      0.180223      6.783781
  H      -9.314728     -0.997286      7.589563
  H     -10.481554     -0.034398      8.541256
  H      -7.326090     -0.274799      8.021147
  H      -5.142780     -0.197770      8.588572
  H      -3.110475      1.141252      9.182397
  H      -6.114481      6.949302      7.954865
  H      -7.354171      5.675455      8.006692
  H      -7.856200      4.895003      5.763834
  H      -7.007946      3.787622      3.685460
  H      -3.745979      5.661118      6.886086
  H      -7.436337      3.418404      8.294792
  H      -2.466446     -3.645924      8.469975
  H      -4.194211     -3.214838      8.334852
  H      -3.726760     -4.921561      8.404811
  H      -1.636860     -2.967380      6.569068
  H      -0.000583     -2.605486      5.010547
  H       0.607722     -2.240575      2.612476
  H      -2.885096     -2.316505     -0.579097
  H      -4.660539     -2.573489     -0.646453
  H      -6.196481     -1.056908      0.712525
  H      -6.438824      1.028906      2.061504
  H      -1.931372     -0.326360      0.546854
  H      -4.019408     -3.620038      3.784610
  H      -6.098820     -7.327048     13.709908
  H      -6.848725     -5.712312     13.525983
  H      -7.859353     -7.162755     13.792531
  H      -6.989325     -5.079155     11.473281
  H      -7.342614     -8.018571      9.208261
  H      -7.494055     -7.704603      6.724129
  H      -7.974906     -3.118902      5.228713
  H      -6.244847     -3.400101      5.210938
  H      -8.871398     -0.890910      4.805501
  H      -8.380891      1.498581      4.251800
  H      -4.676974     -1.398106      5.629028
  H      -6.959416     -3.741984      9.644979
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.958939059930
  N      -2.847126      4.398774      4.543065
  Mo     -3.417405      2.651247      3.659498
  N      -4.044288      1.176343      4.926540
  C      -2.977388      0.435318      5.610426
  C      -1.814419      1.371995      5.863689
  N      -1.479180      2.110983      4.614528
  C      -0.737195      3.376367      4.910151
  C      -1.698348      4.437610      5.430118
  C      -0.699871      1.253459      3.670968
  C      -0.880890      1.774626      2.246040
  N      -2.290920      2.070289      2.053403
  H      -1.197062      5.421298      5.424059
  H      -1.990521      4.233050      6.477313
  H      -0.305483      3.720720      3.961431
  H       0.086889      3.179857      5.617478
  H      -0.506720      1.027055      1.528377
  H      -0.296817      2.693399      2.083173
  H      -1.109469      0.236353      3.733802
  H       0.359836      1.217817      3.981660
  H      -3.324808      0.050383      6.584386
  H      -2.652322     -0.443853      5.021374
  H      -2.111279      2.116615      6.614885
  H      -0.928731      0.829580      6.240676
  C      -9.823534     -0.019325      7.675813
  C      -8.849145      1.123421      7.873840
  O      -9.223054      2.299475      7.842025
  N      -7.557577      0.729679      8.122763
  C      -6.455266      1.532456      8.435410
  C      -5.230377      0.886166      8.686630
  C      -4.099684      1.621866      9.024667
  C      -4.188509      3.005153      9.126416
  F      -3.053741      3.696005      9.411613
  C      -5.385671      3.684292      8.873665
  C      -5.475046      5.177889      8.945758
  O      -4.875822      5.822694      9.793978
  C      -6.297950      5.863942      7.847721
  C      -5.872413      5.358515      6.492407
  C      -6.791585      4.848368      5.562958
  C      -6.326857      4.233116      4.405968
  N      -5.015621      4.154580      4.117167
  C      -4.113514      4.699141      4.993950
  C      -4.506353      5.295181      6.194632
  C      -6.512856      2.930374      8.513835
  C      -3.377896     -3.964296      7.981881
  C      -3.370960     -3.999804      6.467336
  O      -4.260387     -4.549644      5.821100
  N      -2.308263     -3.345316      5.884293
  C      -2.027436     -3.169411      4.514106
  C      -0.717262     -2.787171      4.171441
  C      -0.376692     -2.581436      2.837568
  C      -1.346668     -2.732085      1.856959
  F      -0.946777     -2.567876      0.562253
  C      -2.674033     -3.070795      2.155116
  C      -3.797434     -3.180938      1.166926
  O      -4.765074     -3.899594      1.415681
  C      -3.818600     -2.236920     -0.039217
  C      -4.028697     -0.858448      0.538945
  C      -5.317808     -0.439075      0.938919
  C      -5.463364      0.714087      1.693311
  N      -4.406322      1.471309      2.052262
  C      -3.166227      1.135768      1.566084
  C      -2.939552     -0.032379      0.835186
  C      -2.986339     -3.313418      3.507799
  C      -6.987517     -6.751915     13.327044
  C      -7.080157     -7.065826     11.846705
  O      -7.155033     -8.221622     11.432288
  N      -7.076326     -5.957132     11.029213
  C      -7.157391     -5.885447      9.626348
  C      -7.305472     -7.015823      8.799076
  C      -7.383565     -6.843441      7.418878
  C      -7.310953     -5.574629      6.861473
  F      -7.409092     -5.484203      5.513221
  C      -7.151617     -4.421872      7.651729
  C      -7.020617     -3.027678      7.159050
  O      -6.901762     -2.106623      7.985285
  C      -7.013180     -2.757175      5.665035
  C      -6.783163     -1.319983      5.297705
  C      -7.842793     -0.505924      4.878756
  C      -7.560081      0.819660      4.555528
  N      -6.339569      1.356461      4.585874
  C      -5.297685      0.580045      4.962254
  C      -5.504886     -0.767081      5.350022
  C      -7.084643     -4.620044      9.043679
  H     -10.422265      0.178960      6.777841
  H      -9.337611     -0.998177      7.588020
  H     -10.510650     -0.037873      8.534576
  H      -7.353935     -0.275177      8.031374
  H      -5.175124     -0.201022      8.608200
  H      -3.142395      1.133186      9.209720
  H      -6.131335      6.944973      7.958478
  H      -7.370042      5.670393      8.006376
  H      -7.862357      4.883033      5.765429
  H      -7.007372      3.779292      3.688145
  H      -3.757200      5.660217      6.898230
  H      -7.458233      3.419519      8.298466
  H      -2.409243     -3.690758      8.420946
  H      -4.131612     -3.232766      8.310267
  H      -3.689396     -4.946606      8.357532
  H      -1.590925     -3.005725      6.518457
  H       0.040075     -2.670253      4.949594
  H       0.641431     -2.320429      2.547553
  H      -2.883338     -2.287976     -0.608719
  H      -4.658491     -2.544855     -0.674745
  H      -6.193664     -1.044182      0.704212
  H      -6.435031      1.031817      2.068406
  H      -1.930352     -0.305534      0.530487
  H      -4.005345     -3.604186      3.748453
  H      -6.132977     -7.299156     13.747067
  H      -6.877706     -5.683213     13.553032
  H      -7.893428     -7.129845     13.821018
  H      -7.005712     -5.058276     11.497165
  H      -7.358845     -8.005987      9.242954
  H      -7.501534     -7.701830      6.757101
  H      -7.964051     -3.120420      5.242635
  H      -6.234032     -3.401411      5.227864
  H      -8.860301     -0.893036      4.814498
  H      -8.369266      1.495234      4.254194
  H      -4.666049     -1.398854      5.640804
  H      -6.962911     -3.728901      9.663282
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.958981552424
  N      -2.839572      4.409447      4.541925
  Mo     -3.404661      2.656239      3.668351
  N      -4.033593      1.183665      4.935751
  C      -2.968079      0.448419      5.627975
  C      -1.807905      1.388856      5.879115
  N      -1.473039      2.122849      4.626492
  C      -0.730848      3.389590      4.919364
  C      -1.694574      4.452377      5.433333
  C      -0.689891      1.260910      3.688936
  C      -0.867317      1.777229      2.261564
  N      -2.276834      2.074099      2.066473
  H      -1.194737      5.436704      5.426088
  H      -1.990099      4.250362      6.479999
  H      -0.296940      3.731203      3.970621
  H       0.091506      3.194300      5.628822
  H      -0.493674      1.027024      1.546566
  H      -0.282017      2.694868      2.096530
  H      -1.099561      0.243684      3.754683
  H       0.368427      1.226666      4.003583
  H      -3.318609      0.070034      6.603562
  H      -2.640318     -0.433986      5.045409
  H      -2.107739      2.135977      6.626557
  H      -0.921501      0.850568      6.260013
  C      -9.830046     -0.020229      7.682255
  C      -8.857086      1.124161      7.878841
  O      -9.232183      2.299645      7.841806
  N      -7.563952      0.732433      8.123283
  C      -6.461217      1.536584      8.430492
  C      -5.235304      0.891752      8.680637
  C      -4.104799      1.628550      9.016493
  C      -4.194407      3.011817      9.117230
  F      -3.059829      3.704009      9.400350
  C      -5.392349      3.689512      8.864736
  C      -5.484342      5.183114      8.932713
  O      -4.894263      5.832064      9.783996
  C      -6.311474      5.861742      7.833696
  C      -5.880552      5.356784      6.479905
  C      -6.793899      4.839739      5.548078
  C      -6.320253      4.225690      4.394090
  N      -5.006861      4.153928      4.109647
  C      -4.112307      4.704226      4.987853
  C      -4.514262      5.299871      6.186051
  C      -6.519317      2.934350      8.506789
  C      -3.431897     -4.038321      7.940797
  C      -3.410775     -4.060356      6.426482
  O      -4.293806     -4.605663      5.767087
  N      -2.349565     -3.388540      5.859874
  C      -2.057361     -3.197934      4.493838
  C      -0.744726     -2.811661      4.165697
  C      -0.393316     -2.593807      2.836398
  C      -1.355583     -2.735491      1.846809
  F      -0.945268     -2.558325      0.557031
  C      -2.685366     -3.075230      2.131583
  C      -3.802057     -3.172436      1.134565
  O      -4.769272     -3.897332      1.365674
  C      -3.813654     -2.215628     -0.061922
  C      -4.021906     -0.843012      0.529772
  C      -5.309649     -0.422482      0.932563
  C      -5.450976      0.724787      1.697162
  N      -4.392156      1.476737      2.062585
  C      -3.155197      1.141018      1.573052
  C      -2.931513     -0.021197      0.833574
  C      -3.007914     -3.331349      3.478630
  C      -6.981551     -6.740133     13.346711
  C      -7.063540     -7.056636     11.866282
  O      -7.127303     -8.213520     11.452992
  N      -7.063486     -5.948951     11.047469
  C      -7.138034     -5.879500      9.644020
  C      -7.274884     -7.012021      8.817641
  C      -7.350365     -6.841800      7.436967
  C      -7.286205     -5.573189      6.878012
  F      -7.384968     -5.485648      5.529685
  C      -7.136330     -4.418048      7.667379
  C      -7.014922     -3.023067      7.174517
  O      -6.899068     -2.102059      8.001469
  C      -7.001401     -2.752154      5.680190
  C      -6.770980     -1.314651      5.313080
  C      -7.830217     -0.502665      4.888396
  C      -7.548107      0.822044      4.560736
  N      -6.328029      1.359520      4.591356
  C      -5.286576      0.585388      4.972854
  C      -5.493277     -0.760055      5.367172
  C      -7.071662     -4.614403      9.059974
  H     -10.432699      0.177538      6.786861
  H      -9.342367     -0.998047      7.592135
  H     -10.513878     -0.040930      8.543556
  H      -7.360013     -0.272190      8.033623
  H      -5.179632     -0.195440      8.604275
  H      -3.147075      1.140638      9.201441
  H      -6.152978      6.944149      7.942461
  H      -7.382310      5.660454      7.991891
  H      -7.865536      4.867912      5.746693
  H      -6.994609      3.765761      3.674171
  H      -3.769638      5.669168      6.892378
  H      -7.465245      3.422757      8.291921
  H      -2.468703     -3.763730      8.391034
  H      -4.192253     -3.313717      8.268977
  H      -3.741527     -5.025602      8.304412
  H      -1.638683     -3.053419      6.503590
  H       0.006356     -2.702656      4.951027
  H       0.627056     -2.330306      2.556823
  H      -2.875496     -2.264303     -0.627178
  H      -4.651096     -2.513765     -0.705019
  H      -6.187590     -1.022650      0.693161
  H      -6.421666      1.042489      2.074866
  H      -1.923058     -0.292206      0.524768
  H      -4.028978     -3.622439      3.708439
  H      -6.124569     -7.279441     13.772010
  H      -6.882184     -5.670245     13.571934
  H      -7.886800     -7.125291     13.836291
  H      -7.002160     -5.049087     11.514853
  H      -7.322742     -8.001972      9.262564
  H      -7.460950     -7.701753      6.775939
  H      -7.949863     -3.116238      5.253174
  H      -6.219668     -3.396123      5.246292
  H      -8.847042     -0.891265      4.822250
  H      -8.356837      1.495392      4.253239
  H      -4.654521     -1.390119      5.661718
  H      -6.958520     -3.721627      9.678906
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959030363451
  N      -2.834890      4.401893      4.549876
  Mo     -3.401559      2.646708      3.681134
  N      -4.032672      1.174160      4.946461
  C      -2.969768      0.441665      5.645839
  C      -1.810191      1.382475      5.898152
  N      -1.470972      2.112735      4.644848
  C      -0.728573      3.379541      4.936261
  C      -1.692624      4.444913      5.444702
  C      -0.687111      1.247954      3.710645
  C      -0.861637      1.761080      2.281483
  N      -2.269890      2.061707      2.084235
  H      -1.190931      5.428311      5.436743
  H      -1.991669      4.245998      6.490998
  H      -0.291992      3.718203      3.987673
  H       0.091902      3.185604      5.648267
  H      -0.489769      1.008168      1.568398
  H      -0.273453      2.676713      2.114922
  H      -1.097789      0.231391      3.778842
  H       0.370731      1.213294      4.026895
  H      -3.324873      0.067775      6.621495
  H      -2.640493     -0.443195      5.067799
  H      -2.112070      2.131728      6.642676
  H      -0.925384      0.844860      6.283666
  C      -9.831173     -0.022981      7.665130
  C      -8.860048      1.122489      7.864676
  O      -9.234998      2.297726      7.819456
  N      -7.569178      0.732126      8.122561
  C      -6.469435      1.538136      8.435271
  C      -5.244992      0.895081      8.697185
  C      -4.117224      1.634103      9.037035
  C      -4.208203      3.017815      9.130735
  F      -3.076085      3.711928      9.418758
  C      -5.404810      3.693784      8.867338
  C      -5.498031      5.187756      8.928875
  O      -4.913006      5.840388      9.780812
  C      -6.320653      5.862292      7.823661
  C      -5.883626      5.353172      6.473557
  C      -6.793387      4.832964      5.539350
  C      -6.315273      4.215027      4.389410
  N      -5.000406      4.142960      4.111758
  C      -4.109378      4.696297      4.991372
  C      -4.516027      5.295685      6.185837
  C      -6.528887      2.936241      8.504987
  C      -3.369011     -4.033205      7.911866
  C      -3.367159     -4.049077      6.397398
  O      -4.258966     -4.590592      5.746742
  N      -2.314023     -3.373180      5.820659
  C      -2.034110     -3.184479      4.451749
  C      -0.723963     -2.799997      4.112086
  C      -0.383673     -2.582809      2.779854
  C      -1.354313     -2.725386      1.798692
  F      -0.955891     -2.546360      0.505467
  C      -2.681195     -3.065929      2.094723
  C      -3.804030     -3.163459      1.104736
  O      -4.768860     -3.889771      1.340078
  C      -3.823762     -2.200484     -0.086732
  C      -4.026017     -0.831995      0.515821
  C      -5.311821     -0.410108      0.923281
  C      -5.448438      0.730186      1.699069
  N      -4.386464      1.473095      2.073336
  C      -3.150703      1.136740      1.580401
  C      -2.931819     -0.017928      0.828436
  C      -2.993502     -3.318608      3.444755
  C      -6.998466     -6.731301     13.369883
  C      -7.083040     -7.050161     11.890088
  O      -7.151620     -8.207553     11.478955
  N      -7.079512     -5.943943     11.069351
  C      -7.155751     -5.876516      9.665867
  C      -7.299238     -7.009937      8.841720
  C      -7.377387     -6.841645      7.460925
  C      -7.309032     -5.574290      6.899582
  F      -7.414414     -5.488200      5.551818
  C      -7.150563     -4.418501      7.686559
  C      -7.022053     -3.025580      7.190338
  O      -6.908351     -2.101934      8.014990
  C      -7.002622     -2.759865      5.695177
  C      -6.770463     -1.323814      5.323999
  C      -7.828576     -0.513396      4.893665
  C      -7.545923      0.810039      4.561875
  N      -6.325903      1.347528      4.593692
  C      -5.285451      0.574922      4.980833
  C      -5.492846     -0.768929      5.379879
  C      -7.084386     -4.612783      9.079572
  H     -10.426784      0.170732      6.764142
  H      -9.342563     -1.001097      7.583338
  H     -10.521749     -0.040159      8.521148
  H      -7.364321     -0.272838      8.039803
  H      -5.188152     -0.192581      8.626273
  H      -3.160550      1.147561      9.230867
  H      -6.162916      6.945103      7.929529
  H      -7.392161      5.661311      7.977617
  H      -7.865789      4.861883      5.733674
  H      -6.985712      3.752700      3.667507
  H      -3.774335      5.667509      6.894008
  H      -7.473546      3.423161      8.281364
  H      -2.399352     -3.762948      8.350685
  H      -4.122955     -3.307865      8.253114
  H      -3.676524     -5.021137      8.275346
  H      -1.595466     -3.040802      6.457233
  H       0.033819     -2.690910      4.890941
  H       0.634187     -2.319155      2.491443
  H      -2.889051     -2.247309     -0.658080
  H      -4.665716     -2.493947     -0.726058
  H      -6.192410     -1.004232      0.678594
  H      -6.417851      1.048514      2.079411
  H      -1.924339     -0.289499      0.516469
  H      -4.013312     -3.607167      3.683917
  H      -6.142463     -7.272188     13.795169
  H      -6.895920     -5.661291     13.593140
  H      -7.904195     -7.113143     13.861161
  H      -7.013870     -5.043593     11.535167
  H      -7.350654     -7.998895      9.288437
  H      -7.494166     -7.702102      6.801615
  H      -7.949173     -3.125293      5.265168
  H      -6.219116     -3.405884      5.266909
  H      -8.845216     -0.902352      4.826875
  H      -8.354089      1.482439      4.250848
  H      -4.655019     -1.397757      5.679887
  H      -6.965368     -3.719488      9.696657
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959041230290
  N      -2.824059      4.394433      4.568468
  Mo     -3.394071      2.637548      3.701693
  N      -4.036598      1.163985      4.963384
  C      -2.981631      0.433048      5.676127
  C      -1.822149      1.371863      5.936605
  N      -1.467885      2.096987      4.685360
  C      -0.725678      3.363036      4.978157
  C      -1.689142      4.434090      5.472702
  C      -0.680358      1.227451      3.759518
  C      -0.840670      1.735054      2.327596
  N      -2.245095      2.042951      2.117200
  H      -1.181223      5.414429      5.465163
  H      -1.998950      4.241567      6.517142
  H      -0.278760      3.695153      4.032216
  H       0.087272      3.171291      5.699640
  H      -0.467136      0.977312      1.620318
  H      -0.245899      2.646887      2.162916
  H      -1.094811      0.212812      3.829545
  H       0.375332      1.190703      4.083569
  H      -3.348682      0.064953      6.649266
  H      -2.648975     -0.455364      5.105304
  H      -2.128593      2.124590      6.675815
  H      -0.942617      0.832983      6.332417
  C      -9.831138     -0.025123      7.646350
  C      -8.866100      1.126169      7.841005
  O      -9.245943      2.299339      7.783931
  N      -7.578647      0.743459      8.124561
  C      -6.486406      1.556660      8.445245
  C      -5.263434      0.919835      8.728282
  C      -4.142042      1.665705      9.074055
  C      -4.238331      3.049956      9.153413
  F      -3.111886      3.750024      9.448607
  C      -5.433989      3.720076      8.870271
  C      -5.530408      5.214275      8.920572
  O      -4.953471      5.872851      9.773650
  C      -6.336549      5.883666      7.799599
  C      -5.884363      5.364314      6.458930
  C      -6.786365      4.840522      5.518197
  C      -6.302248      4.212280      4.376907
  N      -4.984767      4.133908      4.114871
  C      -4.098321      4.691962      5.001492
  C      -4.512269      5.301145      6.187418
  C      -6.551480      2.955431      8.501735
  C      -3.407177     -4.078195      7.860165
  C      -3.409352     -4.070504      6.345603
  O      -4.302547     -4.601730      5.688804
  N      -2.352886     -3.393590      5.776622
  C      -2.065919     -3.201790      4.409810
  C      -0.749028     -2.834476      4.077625
  C      -0.398669     -2.616780      2.748429
  C      -1.365896     -2.743306      1.761826
  F      -0.959974     -2.563814      0.471203
  C      -2.698053     -3.068364      2.049846
  C      -3.813724     -3.149809      1.049850
  O      -4.785060     -3.871300      1.270160
  C      -3.816623     -2.171483     -0.129521
  C      -4.008632     -0.808977      0.490206
  C      -5.294138     -0.382497      0.892711
  C      -5.428426      0.746947      1.685023
  N      -4.363194      1.472322      2.080834
  C      -3.123770      1.132923      1.594018
  C      -2.908194     -0.011111      0.824610
  C      -3.022741     -3.319292      3.397573
  C      -6.923711     -6.711296     13.389414
  C      -7.019482     -7.033880     11.911092
  O      -7.082255     -8.192625     11.502838
  N      -7.033230     -5.929279     11.088311
  C      -7.124375     -5.865047      9.685591
  C      -7.268528     -7.001224      8.865185
  C      -7.362974     -6.836192      7.484996
  C      -7.310156     -5.569407      6.920552
  F      -7.432944     -5.485692      5.574234
  C      -7.150152     -4.411112      7.703426
  C      -7.033171     -3.019616      7.201085
  O      -6.922523     -2.091092      8.020996
  C      -7.013059     -2.763314      5.704585
  C      -6.778364     -1.330096      5.325575
  C      -7.832870     -0.521790      4.883913
  C      -7.546245      0.799003      4.545204
  N      -6.326014      1.335907      4.583337
  C      -5.288872      0.565265      4.984171
  C      -5.500562     -0.776517      5.387202
  C      -7.067581     -4.602029      9.096263
  H     -10.416823      0.154199      6.735892
  H      -9.338823     -1.002829      7.583734
  H     -10.531609     -0.032718      8.494554
  H      -7.368664     -0.261705      8.057153
  H      -5.202345     -0.168460      8.668434
  H      -3.186283      1.184022      9.283938
  H      -6.176084      6.966593      7.900703
  H      -7.410721      5.687973      7.940924
  H      -7.860527      4.874965      5.702141
  H      -6.966968      3.747738      3.651534
  H      -3.776358      5.676763      6.899501
  H      -7.495074      3.436943      8.262406
  H      -2.434809     -3.820622      8.300598
  H      -4.155770     -3.353852      8.215471
  H      -3.719414     -5.070090      8.208649
  H      -1.630729     -3.076765      6.417053
  H       0.006714     -2.739905      4.860381
  H       0.624143     -2.365879      2.466178
  H      -2.878625     -2.221066     -0.695218
  H      -4.657284     -2.448837     -0.777780
  H      -6.177791     -0.965284      0.632325
  H      -6.398552      1.068063      2.061101
  H      -1.900934     -0.286327      0.514554
  H      -4.048540     -3.592595      3.631649
  H      -6.058124     -7.242553     13.807402
  H      -6.829925     -5.639853     13.609679
  H      -7.820660     -7.101391     13.890199
  H      -6.969870     -5.027664     11.551976
  H      -7.307482     -7.989678      9.314280
  H      -7.480976     -7.698685      6.828558
  H      -7.958649     -3.131590      5.275157
  H      -6.229010     -3.412267      5.281510
  H      -8.849416     -0.910270      4.813250
  H      -8.351435      1.470929      4.225592
  H      -4.666502     -1.405252      5.698231
  H      -6.947090     -3.706659      9.709996
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959097217986
  N      -2.826026      4.396224      4.565905
  Mo     -3.394762      2.638197      3.701536
  N      -4.036119      1.165343      4.964991
  C      -2.977854      0.433774      5.672229
  C      -1.818167      1.373597      5.928992
  N      -1.469958      2.100756      4.676488
  C      -0.725940      3.366493      4.969153
  C      -1.688522      4.436992      5.467259
  C      -0.682618      1.232320      3.748781
  C      -0.845167      1.743419      2.318099
  N      -2.250203      2.051026      2.111070
  H      -1.181858      5.417953      5.458668
  H      -1.994995      4.243478      6.512486
  H      -0.281087      3.700290      4.022824
  H       0.088499      3.172419      5.688150
  H      -0.471781      0.987958      1.608372
  H      -0.251178      2.656085      2.154995
  H      -1.096897      0.217471      3.817250
  H       0.373188      1.195163      4.071987
  H      -3.339857      0.064017      6.646663
  H      -2.646952     -0.453590      5.098798
  H      -2.122235      2.124979      6.670472
  H      -0.936323      0.835405      6.320515
  C      -9.844330     -0.010852      7.645351
  C      -8.873539      1.135304      7.842411
  O      -9.248850      2.310306      7.794118
  N      -7.584968      0.746002      8.111755
  C      -6.487247      1.553095      8.428596
  C      -5.263548      0.910731      8.695801
  C      -4.137561      1.650776      9.039561
  C      -4.229753      3.034556      9.131970
  F      -3.099072      3.729726      9.423152
  C      -5.425917      3.709751      8.864070
  C      -5.519852      5.203704      8.925261
  O      -4.939647      5.856312      9.780559
  C      -6.329432      5.878981      7.810693
  C      -5.883372      5.362795      6.466743
  C      -6.787370      4.837465      5.529450
  C      -6.304221      4.208872      4.387922
  N      -4.987243      4.131358      4.121432
  C      -4.100541      4.692611      5.002356
  C      -4.512901      5.301753      6.189197
  C      -6.548155      2.951227      8.497970
  C      -3.390492     -4.078974      7.865064
  C      -3.393024     -4.070423      6.350406
  O      -4.284931     -4.604222      5.693569
  N      -2.337989     -3.391384      5.781404
  C      -2.053475     -3.196185      4.414542
  C      -0.738159     -2.825448      4.080009
  C      -0.391215     -2.605289      2.750238
  C      -1.360441     -2.733030      1.765510
  F      -0.957114     -2.552864      0.474185
  C      -2.691212     -3.061218      2.056382
  C      -3.809642     -3.147319      1.059179
  O      -4.777834     -3.871698      1.284042
  C      -3.820099     -2.171560     -0.122441
  C      -4.014448     -0.808196      0.494488
  C      -5.299737     -0.384077      0.900495
  C      -5.433676      0.745274      1.693207
  N      -4.368636      1.473215      2.084723
  C      -3.130489      1.137676      1.592456
  C      -2.915150     -0.006441      0.823267
  C      -3.012066     -3.314468      3.404386
  C      -6.952370     -6.712343     13.394784
  C      -7.037047     -7.035893     11.916008
  O      -7.092046     -8.195058     11.507864
  N      -7.050144     -5.931672     11.092646
  C      -7.132399     -5.868517      9.689386
  C      -7.266887     -7.005635      8.868750
  C      -7.353164     -6.841763      7.487930
  C      -7.301500     -5.575089      6.923084
  F      -7.415496     -5.493231      5.575737
  C      -7.151259     -4.415726      7.706404
  C      -7.037300     -3.023121      7.205142
  O      -6.939178     -2.094732      8.026413
  C      -7.009626     -2.765556      5.709059
  C      -6.775825     -1.331794      5.330706
  C      -7.830714     -0.525303      4.886394
  C      -7.545674      0.796185      4.549007
  N      -6.326277      1.334681      4.588135
  C      -5.288251      0.565659      4.989810
  C      -5.498857     -0.776158      5.394084
  C      -7.076771     -4.605610      9.099677
  H     -10.434326      0.176754      6.739428
  H      -9.356332     -0.990029      7.573551
  H     -10.540144     -0.021022      8.497318
  H      -7.379150     -0.259424      8.035015
  H      -5.205878     -0.177012      8.625967
  H      -3.181371      1.164918      9.237573
  H      -6.167043      6.961326      7.914709
  H      -7.403198      5.684089      7.956744
  H      -7.861077      4.869540      5.716193
  H      -6.970395      3.741745      3.665402
  H      -3.775197      5.678325      6.898925
  H      -7.492380      3.437286      8.270444
  H      -2.419769     -3.815818      8.305805
  H      -4.143445     -3.359444      8.220731
  H      -3.696707     -5.073015      8.213001
  H      -1.616062     -3.073366      6.421508
  H       0.019159     -2.730629      4.861219
  H       0.630516     -2.352262      2.465994
  H      -2.884023     -2.219072     -0.691381
  H      -4.662200     -2.452756     -0.767107
  H      -6.182791     -0.969415      0.643902
  H      -6.402844      1.063531      2.073967
  H      -1.908359     -0.279943      0.510569
  H      -4.036197     -3.591039      3.640601
  H      -6.087380     -7.239862     13.818699
  H      -6.864473     -5.640446     13.615222
  H      -7.850990     -7.105956     13.889784
  H      -6.993786     -5.029582     11.556318
  H      -7.304747     -7.993987      9.318160
  H      -7.463673     -7.705079      6.831261
  H      -7.952780     -3.134877      5.275195
  H      -6.222551     -3.413201      5.289641
  H      -8.846462     -0.915379      4.813728
  H      -8.351316      1.466567      4.227313
  H      -4.664429     -1.404246      5.705032
  H      -6.963862     -3.709414      9.713670
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959095804395
  N      -2.813043      4.386195      4.575186
  Mo     -3.382268      2.630966      3.706376
  N      -4.029577      1.157025      4.964378
  C      -2.973006      0.420221      5.668099
  C      -1.811480      1.356668      5.930201
  N      -1.460913      2.088525      4.680917
  C      -0.714856      3.351870      4.980082
  C      -1.677731      4.422792      5.479467
  C      -0.673677      1.221812      3.750964
  C      -0.833744      1.738928      2.321548
  N      -2.237732      2.050479      2.113676
  H      -1.170038      5.403201      5.475046
  H      -1.986781      4.226577      6.523361
  H      -0.266834      3.688999      4.036342
  H       0.097401      3.153109      5.700067
  H      -0.460665      0.985003      1.610077
  H      -0.236824      2.650458      2.162490
  H      -1.089962      0.207324      3.814325
  H       0.381536      1.181077      4.075323
  H      -3.335386      0.046250      6.640785
  H      -2.643480     -0.464949      5.090534
  H      -2.114751      2.105139      6.674904
  H      -0.931244      0.814937      6.320440
  C      -9.880731      0.006553      7.610460
  C      -8.905282      1.146452      7.820951
  O      -9.270260      2.323984      7.757729
  N      -7.623328      0.748737      8.109371
  C      -6.522524      1.548572      8.434297
  C      -5.307218      0.896902      8.716816
  C      -4.178590      1.628522      9.069402
  C      -4.259818      3.013344      9.155111
  F      -3.126702      3.700545      9.456472
  C      -5.447191      3.697589      8.872866
  C      -5.529898      5.192715      8.931172
  O      -4.952820      5.841558      9.791186
  C      -6.327227      5.872682      7.810658
  C      -5.877796      5.353519      6.468910
  C      -6.779389      4.830260      5.528635
  C      -6.291850      4.201960      4.388608
  N      -4.974355      4.122790      4.125229
  C      -4.090188      4.683212      5.008629
  C      -4.507188      5.290531      6.195048
  C      -6.572305      2.947557      8.498117
  C      -3.420433     -4.094674      7.841812
  C      -3.408131     -4.086121      6.327058
  O      -4.294826     -4.618397      5.661657
  N      -2.352556     -3.399538      5.768276
  C      -2.061015     -3.195936      4.403980
  C      -0.745473     -2.819215      4.077444
  C      -0.392906     -2.592095      2.750132
  C      -1.357399     -2.718862      1.760336
  F      -0.948411     -2.532078      0.471767
  C      -2.688561     -3.051776      2.044085
  C      -3.803394     -3.136940      1.041949
  O      -4.767872     -3.868546      1.258817
  C      -3.811879     -2.160337     -0.139340
  C      -4.006830     -0.798382      0.480146
  C      -5.291615     -0.374826      0.888431
  C      -5.423218      0.749598      1.688700
  N      -4.356826      1.472930      2.084985
  C      -3.120591      1.139780      1.589620
  C      -2.907125      0.001505      0.812258
  C      -3.014496     -3.312293      3.389109
  C      -6.883529     -6.689374     13.407512
  C      -6.986999     -7.016122     11.930669
  O      -7.046536     -8.176192     11.525797
  N      -7.011069     -5.913661     11.105090
  C      -7.111330     -5.853686      9.702948
  C      -7.256275     -6.992584      8.886600
  C      -7.360059     -6.831852      7.506683
  C      -7.314744     -5.566461      6.938332
  F      -7.446890     -5.487960      5.592391
  C      -7.154892     -4.405470      7.717229
  C      -7.047007     -3.013147      7.212261
  O      -6.944871     -2.083411      8.031104
  C      -7.021550     -2.759197      5.715743
  C      -6.780547     -1.327704      5.333578
  C      -7.831615     -0.516604      4.888261
  C      -7.539943      0.802608      4.547496
  N      -6.317990      1.335093      4.585277
  C      -5.283757      0.561652      4.988215
  C      -5.500600     -0.778483      5.394486
  C      -7.063355     -4.592122      9.109704
  H     -10.452343      0.194609      6.692913
  H      -9.398553     -0.976447      7.551807
  H     -10.592246      0.005238      8.449315
  H      -7.424991     -0.258570      8.040969
  H      -5.258390     -0.191549      8.651690
  H      -3.228834      1.135252      9.279685
  H      -6.158563      6.954018      7.915398
  H      -7.403013      5.684826      7.951157
  H      -7.853750      4.864152      5.710865
  H      -6.956273      3.735765      3.663762
  H      -3.771304      5.665739      6.907515
  H      -7.509971      3.440937      8.259489
  H      -2.455947     -3.825368      8.292378
  H      -4.181408     -3.379898      8.189943
  H      -3.723815     -5.090689      8.186773
  H      -1.636712     -3.080044      6.414450
  H       0.007919     -2.725941      4.862640
  H       0.629351     -2.334721      2.471836
  H      -2.874942     -2.206703     -0.706988
  H      -4.653175     -2.439978     -0.785642
  H      -6.175169     -0.958352      0.629510
  H      -6.391304      1.065823      2.074175
  H      -1.900686     -0.271608      0.498386
  H      -4.038516     -3.593169      3.619595
  H      -6.012899     -7.215561     13.821422
  H      -6.793382     -5.616975     13.624546
  H      -7.775524     -7.082405     13.914803
  H      -6.949115     -5.010514     11.565979
  H      -7.288560     -7.979909      9.338683
  H      -7.479540     -7.696574      6.853449
  H      -7.968428     -3.123649      5.285687
  H      -6.239638     -3.412537      5.295453
  H      -8.849464     -0.901521      4.817223
  H      -8.342440      1.475929      4.224004
  H      -4.669265     -1.410093      5.706384
  H      -6.942891     -3.694480      9.720172
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959133519154
  N      -2.815235      4.384600      4.580613
  Mo     -3.384808      2.628360      3.714198
  N      -4.034855      1.156403      4.973242
  C      -2.979767      0.421165      5.680686
  C      -1.818055      1.357468      5.943081
  N      -1.463654      2.086447      4.693414
  C      -0.718184      3.350030      4.991185
  C      -1.681255      4.422562      5.486220
  C      -0.676282      1.218175      3.765385
  C      -0.833443      1.733527      2.335188
  N      -2.236467      2.046276      2.124337
  H      -1.172279      5.402364      5.479858
  H      -1.992067      4.229763      6.530280
  H      -0.267957      3.684732      4.047648
  H       0.092615      3.153365      5.713494
  H      -0.459562      0.977805      1.626022
  H      -0.234637      2.643858      2.176139
  H      -1.093431      0.204039      3.828955
  H       0.378664      1.176845      4.090773
  H      -3.344109      0.049212      6.653678
  H      -2.649385     -0.465430      5.105798
  H      -2.122128      2.107993      6.685407
  H      -0.939451      0.815585      6.336943
  C      -9.874150      0.009373      7.625532
  C      -8.899243      1.151071      7.828470
  O      -9.266990      2.327936      7.769033
  N      -7.614481      0.756080      8.107649
  C      -6.513664      1.558609      8.425486
  C      -5.293576      0.910815      8.696558
  C      -4.165244      1.646002      9.042911
  C      -4.251608      3.030181      9.134018
  F      -3.118846      3.721175      9.427947
  C      -5.443819      3.710341      8.862364
  C      -5.532023      5.204845      8.923721
  O      -4.957583      5.854383      9.785016
  C      -6.332084      5.883246      7.804208
  C      -5.881920      5.362867      6.463408
  C      -6.782197      4.836122      5.523433
  C      -6.293794      4.202085      4.386657
  N      -4.975714      4.118853      4.127418
  C      -4.092492      4.684049      5.010894
  C      -4.510488      5.298383      6.192728
  C      -6.568476      2.957035      8.493487
  C      -3.414571     -4.096963      7.834483
  C      -3.406989     -4.085946      6.319769
  O      -4.298606     -4.612435      5.656369
  N      -2.349422     -3.404238      5.759081
  C      -2.059604     -3.201483      4.394359
  C      -0.742480     -2.832422      4.065734
  C      -0.390676     -2.606443      2.738161
  C      -1.357433     -2.727481      1.749887
  F      -0.949904     -2.542779      0.460649
  C      -2.689780     -3.053343      2.035613
  C      -3.805021     -3.135078      1.033343
  O      -4.771775     -3.863455      1.250507
  C      -3.812239     -2.154807     -0.144795
  C      -4.005766     -0.794247      0.478603
  C      -5.290538     -0.370428      0.886302
  C      -5.422079      0.751225      1.690586
  N      -4.354889      1.470443      2.091905
  C      -3.118561      1.138162      1.596688
  C      -2.905246      0.003117      0.814362
  C      -3.015782     -3.311735      3.381067
  C      -6.895385     -6.698067     13.409823
  C      -6.989055     -7.023635     11.932078
  O      -7.038121     -8.183573     11.525450
  N      -7.017204     -5.920309     11.107751
  C      -7.111423     -5.859456      9.705195
  C      -7.245345     -6.998528      8.887175
  C      -7.344836     -6.837263      7.507007
  C      -7.305686     -5.571061      6.939984
  F      -7.434023     -5.491961      5.593676
  C      -7.156289     -4.409862      7.720454
  C      -7.055483     -3.016403      7.216570
  O      -6.968930     -2.086006      8.036261
  C      -7.023555     -2.762706      5.720137
  C      -6.783863     -1.330967      5.337675
  C      -7.834376     -0.522608      4.886354
  C      -7.543475      0.796562      4.544575
  N      -6.322574      1.331212      4.586105
  C      -5.288562      0.560171      4.994412
  C      -5.505115     -0.779337      5.402962
  C      -7.069246     -4.597009      9.113208
  H     -10.451645      0.194938      6.711120
  H      -9.390962     -0.973012      7.565551
  H     -10.580710      0.008521      8.468580
  H      -7.413902     -0.250546      8.037010
  H      -5.240527     -0.177201      8.627308
  H      -3.211838      1.156022      9.244151
  H      -6.163939      6.964715      7.908444
  H      -7.407630      5.694572      7.945683
  H      -7.856834      4.871122      5.703897
  H      -6.957870      3.732584      3.663701
  H      -3.775513      5.676362      6.904644
  H      -7.509791      3.447426      8.262927
  H      -2.447760     -3.832042      8.282660
  H      -4.171731     -3.380029      8.186310
  H      -3.720483     -5.092473      8.178452
  H      -1.630123     -3.089651      6.403853
  H       0.012810     -2.744108      4.849696
  H       0.632605     -2.354736      2.458461
  H      -2.875302     -2.200797     -0.712568
  H      -4.653923     -2.431537     -0.791821
  H      -6.174412     -0.951796      0.623611
  H      -6.390201      1.067522      2.075645
  H      -1.898956     -0.269755      0.499861
  H      -4.041024     -3.586859      3.613366
  H      -6.022862     -7.218189     13.827400
  H      -6.814459     -5.625306     13.628694
  H      -7.786884     -7.098533     13.912145
  H      -6.964178     -5.017343     11.570160
  H      -7.272988     -7.986455      9.338251
  H      -7.456465     -7.702122      6.852571
  H      -7.967936     -3.129372      5.286360
  H      -6.238600     -3.414660      5.303264
  H      -8.851231     -0.909401      4.811846
  H      -8.345665      1.468047      4.216452
  H      -4.674065     -1.409555      5.718683
  H      -6.957580     -3.699062      9.724898
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959144580186
  N      -2.810099      4.381153      4.586254
  Mo     -3.380773      2.623375      3.722353
  N      -4.036897      1.151889      4.979832
  C      -2.984020      0.416658      5.690856
  C      -1.822037      1.352200      5.954724
  N      -1.464033      2.079695      4.705131
  C      -0.716709      3.342176      5.003547
  C      -1.678450      4.417160      5.495192
  C      -0.675371      1.209421      3.780018
  C      -0.826442      1.724719      2.349277
  N      -2.227917      2.041532      2.134495
  H      -1.167140      5.395753      5.489580
  H      -1.992667      4.225591      6.538462
  H      -0.263652      3.674902      4.060705
  H       0.091883      3.144255      5.727966
  H      -0.453012      0.967136      1.641812
  H      -0.223914      2.632857      2.191631
  H      -1.094925      0.196259      3.842460
  H       0.378347      1.166200      4.109255
  H      -3.350508      0.046059      6.663466
  H      -2.652956     -0.470953      5.117876
  H      -2.126926      2.103951      6.695518
  H      -0.944752      0.809933      6.350980
  C      -9.885926      0.017462      7.617344
  C      -8.909900      1.158557      7.818024
  O      -9.277054      2.335663      7.759172
  N      -7.626705      0.762555      8.102742
  C      -6.525913      1.563930      8.423810
  C      -5.307885      0.914287      8.699385
  C      -4.179380      1.647762      9.048858
  C      -4.263787      3.032139      9.138654
  F      -3.130866      3.721539      9.435940
  C      -5.453899      3.714166      8.862735
  C      -5.539407      5.208961      8.923460
  O      -4.966240      5.857235      9.786567
  C      -6.332525      5.888956      7.799958
  C      -5.879138      5.365492      6.461497
  C      -6.777614      4.838692      5.520008
  C      -6.287513      4.201440      4.386065
  N      -4.968872      4.114811      4.130506
  C      -4.087119      4.681797      5.014470
  C      -4.506881      5.298319      6.194396
  C      -6.578755      2.962568      8.490818
  C      -3.421543     -4.110419      7.815820
  C      -3.417563     -4.088780      6.301173
  O      -4.308283     -4.614518      5.636099
  N      -2.357416     -3.409279      5.742635
  C      -2.065263     -3.205646      4.378514
  C      -0.746187     -2.841954      4.051944
  C      -0.391756     -2.615134      2.725279
  C      -1.357709     -2.730775      1.735612
  F      -0.948255     -2.545559      0.447108
  C      -2.691596     -3.051856      2.019114
  C      -3.805166     -3.128800      1.014480
  O      -4.774752     -3.853922      1.229383
  C      -3.808833     -2.143841     -0.159613
  C      -4.000236     -0.785673      0.469804
  C      -5.284706     -0.361815      0.878031
  C      -5.415470      0.755199      1.688939
  N      -4.347126      1.469029      2.096331
  C      -3.109884      1.137709      1.600864
  C      -2.898105      0.007255      0.811366
  C      -3.020917     -3.310199      3.363882
  C      -6.871755     -6.688890     13.419074
  C      -6.965494     -7.016299     11.941758
  O      -7.006578     -8.176879     11.536099
  N      -7.003118     -5.913860     11.116585
  C      -7.100224     -5.854885      9.714185
  C      -7.227784     -6.995582      8.897371
  C      -7.331010     -6.836309      7.517253
  C      -7.301327     -5.570370      6.949040
  F      -7.433929     -5.493051      5.603044
  C      -7.157955     -4.407603      7.728202
  C      -7.065920     -3.014184      7.222397
  O      -6.990217     -2.081609      8.040656
  C      -7.029217     -2.763916      5.725635
  C      -6.788443     -1.333217      5.340426
  C      -7.837236     -0.525381      4.884383
  C      -7.544337      0.792650      4.540075
  N      -6.323253      1.326744      4.583997
  C      -5.290839      0.556371      4.997705
  C      -5.509606     -0.782237      5.408183
  C      -7.067646     -4.592708      9.121018
  H     -10.461653      0.201171      6.701426
  H      -9.403905     -0.965728      7.561013
  H     -10.593951      0.020028      8.459182
  H      -7.427214     -0.244577      8.034611
  H      -5.256615     -0.173845      8.631107
  H      -3.227472      1.156310      9.253553
  H      -6.161491      6.970022      7.903685
  H      -7.409148      5.703765      7.937809
  H      -7.852742      4.876254      5.697028
  H      -6.950553      3.732010      3.662190
  H      -3.773076      5.677109      6.907063
  H      -7.518386      3.454359      8.256538
  H      -2.453505     -3.849132      8.263526
  H      -4.177330     -3.395613      8.174585
  H      -3.727180     -5.108151      8.153663
  H      -1.637153     -3.099333      6.388588
  H       0.008536     -2.758150      4.836956
  H       0.632893     -2.367046      2.447345
  H      -2.871283     -2.189571     -0.726433
  H      -4.650379     -2.416389     -0.808636
  H      -6.169309     -0.939718      0.610161
  H      -6.383488      1.071404      2.074237
  H      -1.892155     -0.266244      0.496173
  H      -4.047698     -3.581086      3.594811
  H      -5.994555     -7.201989     13.835543
  H      -6.798674     -5.615373     13.637014
  H      -7.759286     -7.095813     13.923228
  H      -6.956094     -5.010169     11.578216
  H      -7.247969     -7.983256      9.349406
  H      -7.438483     -7.702467      6.863843
  H      -7.972639     -3.131437      5.290324
  H      -6.243389     -3.416774      5.311966
  H      -8.854107     -0.911712      4.807749
  H      -8.345133      1.463775      4.207858
  H      -4.679948     -1.412502      5.727629
  H      -6.961075     -3.693439      9.731679
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959157360507
  N      -2.806545      4.375380      4.594910
  Mo     -3.378539      2.618477      3.729163
  N      -4.039958      1.147458      4.984663
  C      -2.989229      0.410250      5.696743
  C      -1.825881      1.343492      5.963608
  N      -1.463336      2.071417      4.715671
  C      -0.715427      3.332775      5.016437
  C      -1.676768      4.409083      5.506256
  C      -0.674623      1.201289      3.790674
  C      -0.821389      1.719099      2.360208
  N      -2.221741      2.038479      2.142388
  H      -1.163547      5.386705      5.502080
  H      -1.993643      4.217827      6.548782
  H      -0.259832      3.665335      4.074773
  H       0.091353      3.133849      5.742635
  H      -0.447593      0.961052      1.653376
  H      -0.216161      2.625844      2.204987
  H      -1.096299      0.188799      3.849770
  H       0.378397      1.155421      4.121947
  H      -3.357280      0.038776      6.668498
  H      -2.658357     -0.477271      5.123496
  H      -2.130938      2.095443      6.704150
  H      -0.950787      0.799001      6.361764
  C      -9.900925      0.031793      7.607757
  C      -8.922805      1.170488      7.811700
  O      -9.286593      2.348547      7.750823
  N      -7.641127      0.771431      8.098916
  C      -6.538986      1.570420      8.421346
  C      -5.322469      0.918264      8.697545
  C      -4.192822      1.649323      9.048450
  C      -4.274776      3.033780      9.138986
  F      -3.140759      3.720976      9.437414
  C      -5.463292      3.718208      8.862356
  C      -5.545735      5.213192      8.923901
  O      -4.973359      5.859312      9.789126
  C      -6.332876      5.895959      7.797830
  C      -5.877646      5.369914      6.461023
  C      -6.775019      4.844135      5.517964
  C      -6.283792      4.203335      4.386380
  N      -4.964813      4.111275      4.134931
  C      -4.083800      4.678957      5.020044
  C      -4.504742      5.298752      6.197635
  C      -6.589290      2.969127      8.489012
  C      -3.437320     -4.127724      7.802197
  C      -3.428686     -4.102037      6.287580
  O      -4.321021     -4.620007      5.618608
  N      -2.364482     -3.424861      5.733998
  C      -2.068912     -3.216092      4.371343
  C      -0.748551     -2.853407      4.049104
  C      -0.390821     -2.621620      2.724185
  C      -1.354734     -2.731994      1.731902
  F      -0.942492     -2.542143      0.445009
  C      -2.689634     -3.052503      2.011167
  C      -3.800821     -3.125443      1.003374
  O      -4.770782     -3.851522      1.213242
  C      -3.800861     -2.137789     -0.168335
  C      -3.992952     -0.781236      0.464454
  C      -5.277815     -0.358477      0.872559
  C      -5.409257      0.755384      1.687701
  N      -4.340588      1.466135      2.099677
  C      -3.102953      1.136844      1.604392
  C      -2.890808      0.009972      0.809820
  C      -3.022590     -3.315152      3.354196
  C      -6.829751     -6.680052     13.421459
  C      -6.929977     -7.008607     11.944858
  O      -6.965991     -8.169564     11.539834
  N      -6.979519     -5.906757     11.119458
  C      -7.085285     -5.849163      9.717689
  C      -7.210822     -6.991043      8.902218
  C      -7.323275     -6.833314      7.522689
  C      -7.304134     -5.567544      6.953593
  F      -7.446549     -5.491710      5.608548
  C      -7.162735     -4.403632      7.731263
  C      -7.080297     -3.009865      7.224010
  O      -7.013021     -2.075978      8.041239
  C      -7.041159     -2.761650      5.727111
  C      -6.797384     -1.331832      5.340650
  C      -7.843541     -0.522121      4.881964
  C      -7.546857      0.794822      4.536665
  N      -6.324770      1.326408      4.582672
  C      -5.294860      0.554321      4.999616
  C      -5.517463     -0.783629      5.410299
  C      -7.063737     -4.587154      9.123611
  H     -10.471363      0.215684      6.688512
  H      -9.421349     -0.952804      7.555351
  H     -10.613424      0.037731      8.445761
  H      -7.444032     -0.236286      8.031632
  H      -5.273119     -0.169872      8.628336
  H      -3.241982      1.155969      9.253504
  H      -6.157620      6.976316      7.901902
  H      -7.410622      5.715214      7.932836
  H      -7.850542      4.885211      5.691745
  H      -6.946768      3.734427      3.662065
  H      -3.771704      5.677492      6.911108
  H      -7.527687      3.462925      8.253918
  H      -2.469806     -3.870870      8.253572
  H      -4.191774     -3.411437      8.160703
  H      -3.747388     -5.125308      8.136491
  H      -1.645188     -3.118844      6.382897
  H       0.004563     -2.773942      4.836117
  H       0.634820     -2.373808      2.449692
  H      -2.862023     -2.182496     -0.733086
  H      -4.641093     -2.408382     -0.819904
  H      -6.162106     -0.935129      0.600956
  H      -6.377415      1.070802      2.073258
  H      -1.884778     -0.262993      0.494361
  H      -4.050193     -3.585547      3.581922
  H      -5.947010     -7.187560     13.833037
  H      -6.762068     -5.606023     13.638615
  H      -7.711822     -7.092293     13.930854
  H      -6.935824     -5.002555     11.580402
  H      -7.222633     -7.978534      9.354959
  H      -7.430149     -7.700472      6.870518
  H      -7.985409     -3.127596      5.291962
  H      -6.256655     -3.416385      5.314099
  H      -8.861163     -0.906145      4.803832
  H      -8.345491      1.467310      4.201997
  H      -4.689730     -1.415603      5.731477
  H      -6.959106     -3.686883      9.733141
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959171243910
  N      -2.795663      4.361268      4.610529
  Mo     -3.371044      2.605942      3.742935
  N      -4.042953      1.136361      4.993929
  C      -2.997008      0.394886      5.708526
  C      -1.830829      1.323353      5.980574
  N      -1.460516      2.051729      4.735270
  C      -0.710125      3.310458      5.040269
  C      -1.670100      4.389707      5.527205
  C      -0.672144      1.181028      3.810753
  C      -0.810711      1.703604      2.380766
  N      -2.209006      2.029003      2.158135
  H      -1.153126      5.365363      5.526764
  H      -1.992532      4.198155      6.567967
  H      -0.250275      3.642543      4.100506
  H       0.093522      3.108568      5.769112
  H      -0.437878      0.944218      1.674846
  H      -0.199748      2.607139      2.229524
  H      -1.098719      0.170225      3.863608
  H       0.379308      1.129418      4.146252
  H      -3.368410      0.022544      6.678770
  H      -2.666993     -0.492946      5.135100
  H      -2.135802      2.075817      6.720649
  H      -0.959761      0.774630      6.381788
  C      -9.934608      0.059179      7.590027
  C      -8.951474      1.192637      7.798831
  O      -9.308017      2.372682      7.733664
  N      -7.673535      0.786555      8.092956
  C      -6.568162      1.579489      8.419498
  C      -5.356815      0.920467      8.701808
  C      -4.224297      1.644988      9.057004
  C      -4.298621      3.029948      9.146029
  F      -3.161931      3.710901      9.449012
  C      -5.481761      3.721045      8.863528
  C      -5.555520      5.216692      8.923629
  O      -4.986973      5.859459      9.793806
  C      -6.332163      5.903187      7.792624
  C      -5.872728      5.372682      6.459035
  C      -6.767458      4.849992      5.512106
  C      -6.273064      4.204350      4.384665
  N      -4.953363      4.103015      4.140282
  C      -4.074129      4.670214      5.028848
  C      -4.498916      5.293608      6.203152
  C      -6.610544      2.978581      8.485558
  C      -3.460093     -4.133768      7.776199
  C      -3.446473     -4.105457      6.261709
  O      -4.343324     -4.610876      5.589156
  N      -2.375115     -3.435690      5.713068
  C      -2.074569     -3.223397      4.352034
  C      -0.751874     -2.864686      4.035352
  C      -0.388750     -2.630572      2.712325
  C      -1.349541     -2.735293      1.716501
  F      -0.932387     -2.543658      0.431462
  C      -2.686447     -3.052342      1.990175
  C      -3.794168     -3.119267      0.978111
  O      -4.765430     -3.845615      1.181144
  C      -3.789174     -2.126384     -0.188942
  C      -3.981474     -0.773709      0.452033
  C      -5.266148     -0.353366      0.863027
  C      -5.397097      0.753260      1.687920
  N      -4.327250      1.457834      2.107731
  C      -3.089969      1.132351      1.610507
  C      -2.878701      0.013628      0.804468
  C      -3.025206     -3.316783      3.331378
  C      -6.759215     -6.664798     13.427610
  C      -6.866161     -6.994822     11.951873
  O      -6.886994     -8.156165     11.546931
  N      -6.939822     -5.893895     11.126935
  C      -7.058092     -5.838469      9.726073
  C      -7.172949     -6.982529      8.911999
  C      -7.299993     -6.827539      7.533462
  C      -7.304583     -5.561935      6.963621
  F      -7.462538     -5.488512      5.620253
  C      -7.173119     -4.395877      7.739523
  C      -7.111481     -3.001655      7.229884
  O      -7.064912     -2.065302      8.045309
  C      -7.064344     -2.757237      5.732634
  C      -6.813595     -1.329160      5.344183
  C      -7.854059     -0.515020      4.880447
  C      -7.549251      0.799421      4.532553
  N      -6.324750      1.325062      4.581795
  C      -5.300275      0.548728      5.004420
  C      -5.531041     -0.787444      5.416589
  C      -7.060577     -4.576592      9.131164
  H     -10.495817      0.243572      6.665122
  H      -9.460423     -0.928414      7.544946
  H     -10.654627      0.072177      8.421434
  H      -7.482668     -0.222406      8.028680
  H      -5.313595     -0.168005      8.633579
  H      -3.277295      1.146199      9.266549
  H      -6.151022      6.982559      7.896749
  H      -7.411684      5.728888      7.922171
  H      -7.843772      4.897379      5.679120
  H      -6.935240      3.737352      3.658261
  H      -3.767898      5.670467      6.919704
  H      -7.544758      3.477934      8.245513
  H      -2.491622     -3.886743      8.230971
  H      -4.208920     -3.411251      8.133870
  H      -3.780736     -5.128879      8.107738
  H      -1.656524     -3.134972      6.365205
  H      -0.001208     -2.790096      4.825187
  H       0.638712     -2.385469      2.442269
  H      -2.848703     -2.168885     -0.751115
  H      -4.627859     -2.392889     -0.844198
  H      -6.150432     -0.927205      0.585458
  H      -6.364859      1.066907      2.075925
  H      -1.873041     -0.257861      0.486606
  H      -4.054498     -3.584213      3.555115
  H      -5.865590     -7.158806     13.832060
  H      -6.706199     -5.589872     13.644383
  H      -7.630797     -7.090503     13.943952
  H      -6.907310     -4.989014     11.587564
  H      -7.166060     -7.969804      9.365327
  H      -7.400485     -7.696604      6.882838
  H      -8.009657     -3.119637      5.296214
  H      -6.282182     -3.415843      5.321709
  H      -8.873431     -0.893850      4.799709
  H      -8.343271      1.474805      4.192739
  H      -4.707145     -1.422962      5.741105
  H      -6.964462     -3.674464      9.739366
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959181789787
  N      -2.788083      4.350245      4.626092
  Mo     -3.366305      2.597358      3.754624
  N      -4.047902      1.128761      5.001470
  C      -3.006325      0.381998      5.716820
  C      -1.837356      1.305534      5.994090
  N      -1.460462      2.035676      4.751908
  C      -0.707930      3.291790      5.062234
  C      -1.666506      4.373070      5.547664
  C      -0.671636      1.165991      3.827119
  C      -0.801891      1.695681      2.398544
  N      -2.198621      2.025279      2.171195
  H      -1.146127      5.346912      5.551751
  H      -1.994039      4.180183      6.586613
  H      -0.244261      3.624475      4.124599
  H       0.092844      3.086428      5.793252
  H      -0.428509      0.937418      1.691675
  H      -0.187451      2.597744      2.253212
  H      -1.102968      0.156818      3.872494
  H       0.378084      1.108359      4.167128
  H      -3.380649      0.007992      6.685387
  H      -2.677907     -0.505469      5.141855
  H      -2.141865      2.057629      6.734737
  H      -0.969716      0.752537      6.396898
  C      -9.969102      0.089551      7.570548
  C      -8.980084      1.216917      7.784579
  O      -9.328943      2.399198      7.718017
  N      -7.705802      0.802787      8.083511
  C      -6.597054      1.588913      8.415195
  C      -5.390796      0.922643      8.701849
  C      -4.255309      1.640060      9.061867
  C      -4.321820      3.025347      9.151649
  F      -3.182281      3.699373      9.459438
  C      -5.499714      3.723619      8.865116
  C      -5.564597      5.219715      8.926028
  O      -4.995400      5.858105      9.798958
  C      -6.330439      5.912095      7.791205
  C      -5.868022      5.378446      6.459879
  C      -6.761267      4.860985      5.508756
  C      -6.265307      4.211290      4.384173
  N      -4.945229      4.100143      4.146569
  C      -4.067199      4.664426      5.038312
  C      -4.493579      5.290790      6.210429
  C      -6.631380      2.988242      8.481948
  C      -3.490364     -4.167619      7.750482
  C      -3.469472     -4.129116      6.236271
  O      -4.367509     -4.622670      5.556379
  N      -2.389278     -3.466044      5.696891
  C      -2.081423     -3.244512      4.338887
  C      -0.756771     -2.884624      4.031745
  C      -0.386627     -2.641171      2.712270
  C      -1.342199     -2.738112      1.710666
  F      -0.918434     -2.536765      0.429253
  C      -2.680606     -3.056867      1.974961
  C      -3.783318     -3.116623      0.957248
  O      -4.755648     -3.844187      1.150927
  C      -3.772721     -2.116729     -0.203610
  C      -3.967090     -0.768563      0.446117
  C      -5.252558     -0.351390      0.858185
  C      -5.385153      0.750296      1.689195
  N      -4.315673      1.452575      2.114519
  C      -3.077767      1.130807      1.617178
  C      -2.865058      0.016868      0.804990
  C      -3.026472     -3.330332      3.312459
  C      -6.677934     -6.641576     13.430021
  C      -6.795192     -6.974529     11.955789
  O      -6.802601     -8.136417     11.551961
  N      -6.893948     -5.875656     11.130650
  C      -7.027709     -5.823774      9.731116
  C      -7.134649     -6.970431      8.919605
  C      -7.278961     -6.819381      7.542408
  C      -7.307051     -5.554735      6.971042
  F      -7.483665     -5.485044      5.629952
  C      -7.182534     -4.386068      7.744058
  C      -7.140299     -2.992056      7.231228
  O      -7.113422     -2.053187      8.044276
  C      -7.087134     -2.751048      5.733743
  C      -6.830566     -1.324123      5.344853
  C      -7.866089     -0.505293      4.878440
  C      -7.554067      0.807418      4.530204
  N      -6.327276      1.327361      4.582261
  C      -5.307522      0.546403      5.008056
  C      -5.545571     -0.788588      5.419896
  C      -7.054081     -4.562881      9.134685
  H     -10.522135      0.275638      6.640993
  H      -9.501047     -0.901213      7.531083
  H     -10.695506      0.109072      8.396216
  H      -7.521500     -0.207490      8.020331
  H      -5.353701     -0.165973      8.632824
  H      -3.312075      1.135495      9.274515
  H      -6.142049      6.990090      7.896613
  H      -7.411824      5.745450      7.915244
  H      -7.838109      4.915277      5.670123
  H      -6.927331      3.747558      3.655473
  H      -3.763581      5.664357      6.929771
  H      -7.561564      3.493488      8.238622
  H      -2.521615     -3.933303      8.211301
  H      -4.233735     -3.440133      8.109389
  H      -3.822957     -5.161466      8.074163
  H      -1.672587     -3.173266      6.354701
  H      -0.010238     -2.816088      4.826031
  H       0.642384     -2.394622      2.449536
  H      -2.829845     -2.155497     -0.761972
  H      -4.608556     -2.379188     -0.864136
  H      -6.135945     -0.924303      0.575828
  H      -6.353300      1.061970      2.077805
  H      -1.859069     -0.252302      0.486004
  H      -4.057027     -3.598479      3.528955
  H      -5.773426     -7.122644     13.825768
  H      -6.637790     -5.565802     13.645330
  H      -7.538170     -7.078950     13.955573
  H      -6.870754     -4.969840     11.589976
  H      -7.108983     -7.956855      9.374133
  H      -7.375191     -7.690733      6.894209
  H      -8.033306     -3.110552      5.296222
  H      -6.306703     -3.412351      5.324347
  H      -8.887134     -0.879171      4.795715
  H      -8.344042      1.486321      4.187981
  H      -4.725182     -1.427739      5.746274
  H      -6.963701     -3.658677      9.740697
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959195118922
  N      -2.777022      4.333869      4.645038
  Mo     -3.361316      2.584206      3.769986
  N      -4.057078      1.118108      5.012996
  C      -3.022279      0.363048      5.729374
  C      -1.848544      1.278908      6.012630
  N      -1.463281      2.010482      4.773769
  C      -0.705920      3.262396      5.090538
  C      -1.660907      4.347577      5.573518
  C      -0.674339      1.140341      3.849648
  C      -0.792080      1.678519      2.423089
  N      -2.186570      2.014768      2.188802
  H      -1.135010      5.318416      5.584012
  H      -1.995979      4.152921      6.609768
  H      -0.236665      3.594519      4.155584
  H       0.090436      3.051225      5.824714
  H      -0.418234      0.921880      1.714735
  H      -0.172965      2.578550      2.285914
  H      -1.113578      0.134253      3.886107
  H       0.372608      1.073584      4.196600
  H      -3.401386     -0.011544      6.695836
  H      -2.697348     -0.524919      5.153018
  H      -2.151130      2.031028      6.754057
  H      -0.985341      0.719877      6.416604
  C     -10.017612      0.135329      7.541570
  C      -9.019825      1.252878      7.765873
  O      -9.357536      2.438491      7.701349
  N      -7.750973      0.825848      8.069530
  C      -6.636575      1.600536      8.408849
  C      -5.438246      0.922298      8.700257
  C      -4.297463      1.628002      9.066744
  C      -4.350993      3.013782      9.158598
  F      -3.206386      3.676206      9.472676
  C      -5.520807      3.723869      8.867807
  C      -5.571605      5.220491      8.930407
  O      -5.000086      5.852410      9.806533
  C      -6.324460      5.921060      7.792044
  C      -5.859076      5.384718      6.462873
  C      -6.750853      4.875574      5.506267
  C      -6.253811      4.221698      4.384980
  N      -4.933456      4.097970      4.154075
  C      -4.056208      4.656427      5.049978
  C      -4.484263      5.285145      6.220512
  C      -6.657628      3.000042      8.477891
  C      -3.514747     -4.176145      7.736887
  C      -3.492574     -4.131852      6.222846
  O      -4.400282     -4.604597      5.540904
  N      -2.399082     -3.488727      5.686491
  C      -2.086440     -3.264351      4.330165
  C      -0.759015     -2.909402      4.028808
  C      -0.383149     -2.663234      2.711529
  C      -1.335332     -2.752844      1.706130
  F      -0.906533     -2.547773      0.426943
  C      -2.675705     -3.067873      1.964292
  C      -3.774661     -3.120013      0.942438
  O      -4.749500     -3.846300      1.128248
  C      -3.756341     -2.114119     -0.213079
  C      -3.951781     -0.769890      0.444426
  C      -5.237946     -0.355558      0.857046
  C      -5.372021      0.741493      1.693821
  N      -4.303080      1.441526      2.123952
  C      -3.063785      1.122787      1.627593
  C      -2.849957      0.012861      0.809976
  C      -3.027807     -3.343703      3.299750
  C      -6.561227     -6.616642     13.418023
  C      -6.691905     -6.951216     11.945358
  O      -6.676282     -8.112589     11.540299
  N      -6.830042     -5.854556     11.122839
  C      -6.986019     -5.805610      9.725514
  C      -7.078095     -6.954475      8.915224
  C      -7.247582     -6.807323      7.540525
  C      -7.313014     -5.543701      6.969892
  F      -7.515845     -5.477342      5.632532
  C      -7.201506     -4.372691      7.741137
  C      -7.189408     -2.978910      7.225772
  O      -7.191598     -2.038229      8.036662
  C      -7.125561     -2.740367      5.728343
  C      -6.859244     -1.314647      5.341262
  C      -7.886566     -0.488008      4.871145
  C      -7.562970      0.822481      4.524778
  N      -6.332603      1.333350      4.582697
  C      -5.320405      0.544645      5.013194
  C      -5.570517     -0.789012      5.422609
  C      -7.049907     -4.545694      9.129774
  H     -10.560396      0.327840      6.607200
  H      -9.558661     -0.859814      7.505052
  H     -10.751456      0.160885      8.360441
  H      -7.576897     -0.186237      8.005360
  H      -5.411347     -0.166505      8.629377
  H      -3.360159      1.113914      9.282742
  H      -6.127960      6.997404      7.899439
  H      -7.407891      5.763103      7.909744
  H      -7.828221      4.938618      5.660893
  H      -6.915846      3.762895      3.653003
  H      -3.755156      5.652108      6.944127
  H      -7.581712      3.514796      8.231283
  H      -2.540422     -3.968722      8.198752
  H      -4.239450     -3.431314      8.098488
  H      -3.873683     -5.162103      8.056665
  H      -1.679435     -3.208548      6.346569
  H      -0.015053     -2.846368      4.825960
  H       0.647803     -2.419919      2.453386
  H      -2.810328     -2.150651     -0.766215
  H      -4.588681     -2.372074     -0.879750
  H      -6.120524     -0.927859      0.570916
  H      -6.340584      1.051336      2.082950
  H      -1.843727     -0.255009      0.490406
  H      -4.060312     -3.607993      3.511802
  H      -5.640314     -7.077041     13.800269
  H      -6.542777     -5.540374     13.633770
  H      -7.403521     -7.074048     13.955469
  H      -6.822917     -4.948650     11.582582
  H      -7.022381     -7.939944      9.369188
  H      -7.334810     -7.680867      6.894006
  H      -8.072258     -3.094832      5.287250
  H      -6.347115     -3.405066      5.321396
  H      -8.910044     -0.854099      4.783787
  H      -8.346349      1.507400      4.179488
  H      -4.756439     -1.434519      5.752278
  H      -6.969761     -3.639530      9.734319
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959207705032
  N      -2.767040      4.324565      4.659579
  Mo     -3.356518      2.575548      3.784531
  N      -4.060383      1.109923      5.024172
  C      -3.031081      0.350283      5.743626
  C      -1.854849      1.261712      6.031166
  N      -1.463999      1.993374      4.794227
  C      -0.703505      3.242696      5.114845
  C      -1.656201      4.331229      5.594487
  C      -0.674566      1.122326      3.871389
  C      -0.783661      1.665408      2.445949
  N      -2.176414      2.006825      2.206893
  H      -1.125714      5.299542      5.610111
  H      -1.998070      4.136015      6.628452
  H      -0.229794      3.573796      4.181821
  H       0.089358      3.028219      5.851809
  H      -0.409832      0.909875      1.736498
  H      -0.161482      2.564115      2.314084
  H      -1.119107      0.118269      3.902903
  H       0.370388      1.049432      4.223109
  H      -3.415618     -0.022894      6.708517
  H      -2.707885     -0.538797      5.167838
  H      -2.156847      2.014044      6.772608
  H      -0.994454      0.699543      6.436696
  C     -10.054273      0.167727      7.519892
  C      -9.049683      1.278031      7.750236
  O      -9.378987      2.466088      7.686972
  N      -7.785265      0.841513      8.058713
  C      -6.667045      1.607718      8.404610
  C      -5.475279      0.920625      8.702161
  C      -4.331140      1.617742      9.074448
  C      -4.374562      3.003880      9.166142
  F      -3.226464      3.657507      9.485527
  C      -5.537678      3.722732      8.869742
  C      -5.577556      5.219560      8.931118
  O      -5.003567      5.848461      9.807860
  C      -6.323276      5.923923      7.790603
  C      -5.853624      5.386267      6.463449
  C      -6.743096      4.881744      5.502085
  C      -6.243714      4.226089      4.383224
  N      -4.922531      4.097391      4.158094
  C      -4.046864      4.650976      5.058362
  C      -4.478296      5.279996      6.227851
  C      -6.677818      3.007280      8.473959
  C      -3.539447     -4.209312      7.703977
  C      -3.513664     -4.151304      6.190404
  O      -4.424869     -4.608449      5.502185
  N      -2.412796     -3.514168      5.662229
  C      -2.094556     -3.280650      4.308931
  C      -0.765294     -2.925354      4.015433
  C      -0.383043     -2.673057      2.701178
  C      -1.330619     -2.756620      1.690858
  F      -0.895390     -2.546285      0.414679
  C      -2.672380     -3.071424      1.941451
  C      -3.766987     -3.117521      0.914794
  O      -4.741995     -3.845605      1.091509
  C      -3.745964     -2.100838     -0.231324
  C      -3.941126     -0.762992      0.438871
  C      -5.227381     -0.351492      0.854137
  C      -5.361576      0.739453      1.698924
  N      -4.292742      1.436253      2.134698
  C      -3.052841      1.119746      1.637324
  C      -2.838892      0.015620      0.812385
  C      -3.030983     -3.353508      3.273759
  C      -6.492442     -6.584747     13.424431
  C      -6.623034     -6.923296     11.952697
  O      -6.582783     -8.084326     11.548322
  N      -6.790470     -5.830766     11.130089
  C      -6.955428     -5.786896      9.733582
  C      -7.029181     -6.938687      8.925474
  C      -7.210522     -6.797434      7.551661
  C      -7.303823     -5.536303      6.979480
  F      -7.518954     -5.475210      5.643950
  C      -7.208770     -4.362221      7.748149
  C      -7.220142     -2.970207      7.228262
  O      -7.250563     -2.026901      8.035394
  C      -7.144310     -2.736035      5.730639
  C      -6.873031     -1.311207      5.343207
  C      -7.895086     -0.481462      4.867491
  C      -7.565140      0.827834      4.521886
  N      -6.333149      1.334146      4.584896
  C      -5.325779      0.541605      5.020048
  C      -5.582703     -0.790458      5.429915
  C      -7.046963     -4.529406      9.136266
  H     -10.591735      0.364856      6.583432
  H      -9.602084     -0.830562      7.484464
  H     -10.791615      0.197402      8.335496
  H      -7.618737     -0.171876      7.994690
  H      -5.456047     -0.168240      8.631115
  H      -3.398809      1.096594      9.294983
  H      -6.123511      6.999544      7.899183
  H      -7.407774      5.769515      7.902892
  H      -7.820907      4.949555      5.651638
  H      -6.903858      3.769957      3.647855
  H      -3.751143      5.642141      6.955837
  H      -7.596852      3.529049      8.223320
  H      -2.561637     -4.027589      8.169253
  H      -4.248335     -3.452218      8.071349
  H      -3.920994     -5.189820      8.013947
  H      -1.691980     -3.247099      6.326499
  H      -0.024732     -2.867656      4.816162
  H       0.649404     -2.429935      2.448895
  H      -2.798677     -2.132512     -0.782568
  H      -4.576739     -2.352156     -0.902423
  H      -6.110008     -0.921682      0.563973
  H      -6.330236      1.046999      2.089624
  H      -1.832595     -0.249746      0.490907
  H      -4.064740     -3.617713      3.479866
  H      -5.559866     -7.024672     13.802476
  H      -6.496431     -5.508155     13.639288
  H      -7.321919     -7.059918     13.966388
  H      -6.801401     -4.924480     11.589060
  H      -6.950758     -7.922048      9.380684
  H      -7.285145     -7.673686      6.907234
  H      -8.088268     -3.090581      5.283644
  H      -6.363365     -3.401825      5.330286
  H      -8.919515     -0.843910      4.776141
  H      -8.344256      1.515638      4.172760
  H      -4.772727     -1.438511      5.764688
  H      -6.979805     -3.620726      9.738644
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959216253326
  N      -2.767743      4.327792      4.654780
  Mo     -3.358939      2.578859      3.780734
  N      -4.059955      1.113273      5.022744
  C      -3.030612      0.352840      5.741131
  C      -1.854088      1.264270      6.026807
  N      -1.466415      1.996102      4.788954
  C      -0.705067      3.245141      5.109719
  C      -1.657345      4.333423      5.589946
  C      -0.676990      1.125362      3.865584
  C      -0.787049      1.669826      2.441232
  N      -2.180598      2.008986      2.203215
  H      -1.126592      5.301615      5.606692
  H      -1.999459      4.137640      6.623756
  H      -0.231149      3.576701      4.176979
  H       0.087673      3.029904      5.846525
  H      -0.411247      0.917915      1.729092
  H      -0.168293      2.571246      2.311422
  H      -1.121938      0.121547      3.897521
  H       0.368006      1.051634      4.216815
  H      -3.415788     -0.018685      6.706394
  H      -2.709033     -0.536748      5.165330
  H      -2.154690      2.016048      6.769326
  H      -0.992263      0.702776      6.430099
  C     -10.058174      0.170800      7.525264
  C      -9.051510      1.279502      7.754600
  O      -9.379844      2.468043      7.695908
  N      -7.787043      0.840631      8.059314
  C      -6.666620      1.604154      8.403575
  C      -5.475409      0.914568      8.698612
  C      -4.329362      1.609750      9.068612
  C      -4.369692      2.996029      9.160669
  F      -3.219595      3.647154      9.477377
  C      -5.532234      3.717210      8.866965
  C      -5.570020      5.213894      8.927769
  O      -4.990669      5.843615      9.800466
  C      -6.322695      5.917501      7.791368
  C      -5.854015      5.383596      6.462307
  C      -6.744325      4.880226      5.500445
  C      -6.245434      4.228206      4.379212
  N      -4.924068      4.103555      4.152493
  C      -4.047904      4.653072      5.054085
  C      -4.478981      5.279181      6.225458
  C      -6.674338      3.003550      8.473613
  C      -3.521444     -4.192599      7.718054
  C      -3.502776     -4.135966      6.204394
  O      -4.419516     -4.589392      5.520836
  N      -2.400095     -3.507302      5.670576
  C      -2.085589     -3.277496      4.316082
  C      -0.757343     -2.920795      4.018926
  C      -0.377700     -2.672521      2.703314
  C      -1.327066     -2.760415      1.694881
  F      -0.893979     -2.553699      0.417393
  C      -2.667828     -3.075948      1.949213
  C      -3.764094     -3.126507      0.924232
  O      -4.736275     -3.857759      1.102090
  C      -3.747315     -2.109049     -0.221523
  C      -3.942393     -0.770757      0.447880
  C      -5.228837     -0.359444      0.862783
  C      -5.363714      0.734817      1.703245
  N      -4.296401      1.436390      2.134849
  C      -3.056620      1.118704      1.638006
  C      -2.841168      0.010491      0.818963
  C      -3.023552     -3.355174      3.282750
  C      -6.494044     -6.595006     13.416068
  C      -6.625864     -6.930311     11.943677
  O      -6.584190     -8.090369     11.536606
  N      -6.796028     -5.836154     11.123845
  C      -6.963268     -5.789401      9.727531
  C      -7.042456     -6.939791      8.917907
  C      -7.226199     -6.796034      7.544577
  C      -7.315900     -5.533804      6.974389
  F      -7.533869     -5.469292      5.639467
  C      -7.214734     -4.361245      7.744497
  C      -7.223459     -2.968816      7.225645
  O      -7.255502     -2.026358      8.033530
  C      -7.146499     -2.732689      5.727970
  C      -6.873702     -1.307166      5.342841
  C      -7.895541     -0.476606      4.868378
  C      -7.565557      0.833311      4.524946
  N      -6.333316      1.338904      4.587453
  C      -5.325708      0.545202      5.020156
  C      -5.582929     -0.786917      5.429965
  C      -7.051356     -4.530675      9.132112
  H     -10.599972      0.370865      6.591985
  H      -9.607054     -0.827830      7.485015
  H     -10.791491      0.198629      8.344603
  H      -7.622395     -0.172659      7.993268
  H      -5.458145     -0.174458      8.627462
  H      -3.397549      1.086821      9.287148
  H      -6.126573      6.993710      7.900752
  H      -7.406326      5.758866      7.905586
  H      -7.821981      4.946093      5.652063
  H      -6.904754      3.772573      3.642888
  H      -3.751463      5.638464      6.954535
  H      -7.593171      3.527050      8.225920
  H      -2.537694     -4.030925      8.178201
  H      -4.212747     -3.420536      8.088417
  H      -3.921531     -5.164755      8.030253
  H      -1.673436     -3.246898      6.331200
  H      -0.015345     -2.859097      4.818059
  H       0.653882     -2.428801      2.448107
  H      -2.800951     -2.139940     -0.774502
  H      -4.578923     -2.360404     -0.891507
  H      -6.111269     -0.932013      0.576810
  H      -6.332764      1.041543      2.093673
  H      -1.834315     -0.253862      0.498527
  H      -4.056417     -3.620660      3.491479
  H      -5.560867     -7.035211     13.792284
  H      -6.498569     -5.518900     13.633323
  H      -7.322759     -7.071820     13.957754
  H      -6.806476     -4.930898     11.584997
  H      -6.966065     -7.924009      9.371631
  H      -7.305077     -7.671140      6.899099
  H      -8.089798     -3.086185      5.279146
  H      -6.364805     -3.398082      5.328206
  H      -8.920096     -0.838790      4.777241
  H      -8.344583      1.522311      4.177951
  H      -4.773950     -1.435447      5.765876
  H      -6.979852     -3.622925      9.735416
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959228805127
  N      -2.764362      4.325408      4.659892
  Mo     -3.356564      2.576456      3.786011
  N      -4.061749      1.111201      5.026845
  C      -3.034301      0.349875      5.746913
  C      -1.857030      1.259880      6.034452
  N      -1.466295      1.991491      4.797404
  C      -0.704095      3.239615      5.119788
  C      -1.655901      4.329532      5.597442
  C      -0.676565      1.119955      3.874943
  C      -0.782861      1.665483      2.450859
  N      -2.175249      2.006720      2.209926
  H      -1.123604      5.296872      5.615013
  H      -2.000641      4.134706      6.630543
  H      -0.227173      3.570343      4.188306
  H       0.086373      3.023394      5.858758
  H      -0.405925      0.913677      1.739176
  H      -0.162329      2.566071      2.323558
  H      -1.123054      0.116757      3.905296
  H       0.367716      1.044369      4.227996
  H      -3.421270     -0.021112      6.711662
  H      -2.712760     -0.540256      5.171902
  H      -2.157704      2.011981      6.776631
  H      -0.996576      0.697258      6.439142
  C     -10.064362      0.176848      7.517705
  C      -9.057530      1.284954      7.748968
  O      -9.384271      2.473745      7.686468
  N      -7.794497      0.845391      8.058382
  C      -6.673916      1.608397      8.403196
  C      -5.483535      0.918134      8.700009
  C      -4.337423      1.612804      9.070742
  C      -4.376981      2.999131      9.161813
  F      -3.226790      3.649823      9.479302
  C      -5.538673      3.720916      8.866413
  C      -5.575386      5.217672      8.926538
  O      -4.996724      5.847137      9.799871
  C      -6.324525      5.921434      7.787908
  C      -5.853545      5.385482      6.460485
  C      -6.742143      4.880844      5.497810
  C      -6.241445      4.227198      4.378414
  N      -4.919654      4.101642      4.154128
  C      -4.044857      4.652175      5.056964
  C      -4.478010      5.280094      6.226495
  C      -6.680873      3.007819      8.472365
  C      -3.541744     -4.211319      7.708266
  C      -3.519012     -4.148425      6.194859
  O      -4.435793     -4.595505      5.507247
  N      -2.413043     -3.521009      5.666322
  C      -2.094566     -3.286505      4.313512
  C      -0.765033     -2.931000      4.020916
  C      -0.381409     -2.678797      2.707259
  C      -1.328196     -2.762141      1.695879
  F      -0.891883     -2.551634      0.420198
  C      -2.669893     -3.076517      1.945779
  C      -3.763141     -3.123929      0.916907
  O      -4.735453     -3.856046      1.089534
  C      -3.742120     -2.104002     -0.226461
  C      -3.937169     -0.766514      0.444753
  C      -5.223891     -0.354797      0.857941
  C      -5.359088      0.737350      1.701351
  N      -4.291572      1.435727      2.137193
  C      -3.051186      1.118323      1.641750
  C      -2.835664      0.012549      0.819411
  C      -3.030093     -3.359081      3.277380
  C      -6.457955     -6.585597     13.414247
  C      -6.594711     -6.922045     11.942582
  O      -6.548039     -8.081923     11.535570
  N      -6.775498     -5.829143     11.123322
  C      -6.949647     -5.783800      9.727896
  C      -7.029330     -6.934896      8.919379
  C      -7.220219     -6.792615      7.546882
  C      -7.316549     -5.530970      6.976454
  F      -7.541722     -5.467912      5.642624
  C      -7.215746     -4.357733      7.745476
  C      -7.232334     -2.965357      7.226048
  O      -7.268285     -2.022947      8.033682
  C      -7.154615     -2.730003      5.728369
  C      -6.879570     -1.305263      5.342157
  C      -7.899196     -0.473933      4.864371
  C      -7.566291      0.834975      4.519809
  N      -6.333520      1.338967      4.584698
  C      -5.327925      0.544558      5.021033
  C      -5.588218     -0.786813      5.431396
  C      -7.045100     -4.525696      9.132285
  H     -10.601624      0.375336      6.581446
  H      -9.614208     -0.822388      7.481800
  H     -10.801390      0.207528      8.333592
  H      -7.630550     -0.168188      7.994365
  H      -5.466853     -0.170885      8.629339
  H      -3.406154      1.089430      9.290546
  H      -6.127070      6.997435      7.896949
  H      -7.408613      5.764459      7.899908
  H      -7.820071      4.947257      5.647201
  H      -6.899732      3.770785      3.641649
  H      -3.751662      5.640132      6.956355
  H      -7.599049      3.531729      8.223019
  H      -2.557843     -4.059653      8.171515
  H      -4.227385     -3.435182      8.080456
  H      -3.950482     -5.181526      8.015335
  H      -1.686790     -3.266462      6.329694
  H      -0.025059     -2.872950      4.822223
  H       0.651171     -2.435518      2.455705
  H      -2.794364     -2.135179     -0.777172
  H      -4.572446     -2.352810     -0.898977
  H      -6.106504     -0.925363      0.568549
  H      -6.328504      1.043877      2.091063
  H      -1.828593     -0.252398      0.500181
  H      -4.063812     -3.623866      3.482702
  H      -5.520512     -7.020280     13.786247
  H      -6.467761     -5.509480     13.631297
  H      -7.281380     -7.067084     13.959859
  H      -6.788663     -4.923829     11.584232
  H      -6.947669     -7.918572      9.373358
  H      -7.299961     -7.668366      6.902391
  H      -8.098490     -3.082173      5.279625
  H      -6.373898     -3.396819      5.329171
  H      -8.924020     -0.834794      4.771134
  H      -8.343487      1.524676      4.170069
  H      -4.781345     -1.436675      5.769957
  H      -6.974356     -3.617351      9.734786
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959239509452
  N      -2.757710      4.319148      4.669933
  Mo     -3.352797      2.570842      3.795537
  N      -4.064125      1.105656      5.034268
  C      -3.039661      0.342100      5.756007
  C      -1.860762      1.249123      6.046527
  N      -1.465445      1.981174      4.811242
  C      -0.701686      3.227380      5.136992
  C      -1.652486      4.319902      5.611311
  C      -0.676032      1.109169      3.888972
  C      -0.776930      1.658295      2.465835
  N      -2.167505      2.002898      2.220981
  H      -1.117336      5.285640      5.630882
  H      -2.001423      4.126093      6.643171
  H      -0.220001      3.557439      4.207758
  H       0.085216      3.008988      5.879124
  H      -0.398141      0.907679      1.753817
  H      -0.153810      2.557832      2.343506
  H      -1.125371      0.107079      3.915733
  H       0.367268      1.029665      4.244220
  H      -3.429059     -0.028605      6.719890
  H      -2.718779     -0.548571      5.181450
  H      -2.161004      2.001320      6.788821
  H      -1.002602      0.684057      6.452764
  C     -10.082646      0.190094      7.504202
  C      -9.073647      1.295714      7.737770
  O      -9.395941      2.485405      7.669217
  N      -7.813925      0.852989      8.055950
  C      -6.691993      1.613218      8.402617
  C      -5.504448      0.919678      8.703105
  C      -4.357404      1.611389      9.076379
  C      -4.393275      2.997832      9.166167
  F      -3.241996      3.645570      9.486089
  C      -5.551950      3.722819      8.867045
  C      -5.584065      5.219811      8.926069
  O      -5.005439      5.847662      9.800578
  C      -6.326014      5.925507      7.783854
  C      -5.851011      5.386321      6.459037
  C      -6.737153      4.881142      5.494276
  C      -6.233689      4.225437      4.377244
  N      -4.911317      4.098211      4.157607
  C      -4.038475      4.648717      5.063101
  C      -4.474557      5.278820      6.230130
  C      -6.695260      3.012717      8.470733
  C      -3.562372     -4.226071      7.686134
  C      -3.534411     -4.159714      6.173010
  O      -4.454418     -4.594367      5.481739
  N      -2.422207     -3.539040      5.649673
  C      -2.099465     -3.299177      4.298868
  C      -0.768601     -2.944744      4.011419
  C      -0.380623     -2.687134      2.700195
  C      -1.324785     -2.764163      1.685697
  F      -0.885257     -2.547923      0.412215
  C      -2.667381     -3.077675      1.930762
  C      -3.757419     -3.120257      0.897580
  O      -4.728622     -3.855230      1.062648
  C      -3.733721     -2.093540     -0.239162
  C      -3.928826     -0.759261      0.438670
  C      -5.216002     -0.348303      0.850868
  C      -5.352059      0.739541      1.699941
  N      -4.284542      1.433525      2.142455
  C      -3.043235      1.117607      1.648191
  C      -2.827159      0.016317      0.819930
  C      -3.032437     -3.365669      3.259735
  C      -6.408561     -6.569535     13.418164
  C      -6.550015     -6.907448     11.947309
  O      -6.490842     -8.066528     11.539692
  N      -6.750012     -5.816869     11.129380
  C      -6.932671     -5.773904      9.735011
  C      -7.011566     -6.926294      8.928326
  C      -7.211112     -6.786801      7.556755
  C      -7.316878     -5.526261      6.985530
  F      -7.549729     -5.465587      5.652783
  C      -7.218288     -4.351856      7.752745
  C      -7.246992     -2.959871      7.231676
  O      -7.292730     -2.017201      8.038214
  C      -7.167620     -2.726586      5.733840
  C      -6.888712     -1.303345      5.345306
  C      -7.904855     -0.470759      4.862285
  C      -7.567288      0.836385      4.515475
  N      -6.333536      1.337465      4.583186
  C      -5.331173      0.541810      5.024898
  C      -5.596358     -0.787921      5.437273
  C      -7.038753     -4.516952      9.138615
  H     -10.612257      0.386113      6.563015
  H      -9.635762     -0.810871      7.476170
  H     -10.825593      0.227213      8.314413
  H      -7.652748     -0.161377      7.995161
  H      -5.490570     -0.169347      8.633008
  H      -3.428148      1.085594      9.298945
  H      -6.125018      7.000820      7.893115
  H      -7.411099      5.772535      7.891201
  H      -7.815464      4.949359      5.639943
  H      -6.890238      3.769412      3.638717
  H      -3.749976      5.639248      6.961546
  H      -7.611189      3.538989      8.218022
  H      -2.576200     -4.099776      8.152256
  H      -4.229276     -3.434156      8.059087
  H      -3.995450     -5.186764      7.989378
  H      -1.694872     -3.294455      6.315654
  H      -0.030887     -2.890904      4.815145
  H       0.652980     -2.443905      2.452842
  H      -2.785074     -2.122721     -0.788588
  H      -4.563279     -2.337447     -0.914458
  H      -6.098777     -0.915499      0.555386
  H      -6.322149      1.044943      2.088905
  H      -1.819621     -0.248452      0.502054
  H      -4.066997     -3.630088      3.461438
  H      -5.463839     -6.993000     13.784619
  H      -6.430107     -5.493647     13.635518
  H      -7.222983     -7.060935     13.968450
  H      -6.770602     -4.911736     11.590381
  H      -6.922243     -7.908966      9.383065
  H      -7.290776     -7.663771      6.913926
  H      -8.112839     -3.076252      5.285754
  H      -6.388878     -3.396030      5.335346
  H      -8.930218     -0.829346      4.766374
  H      -8.341610      1.527255      4.161618
  H      -4.792839     -1.439791      5.780177
  H      -6.970396     -3.607519      9.739755
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959249082953
  N      -2.746207      4.305440      4.690609
  Mo     -3.347296      2.558113      3.815785
  N      -4.072101      1.093981      5.049835
  C      -3.055044      0.325614      5.776621
  C      -1.872911      1.226453      6.073734
  N      -1.467515      1.958423      4.841766
  C      -0.700229      3.200782      5.173869
  C      -1.648668      4.298849      5.640892
  C      -0.677953      1.084845      3.921230
  C      -0.766232      1.640630      2.499632
  N      -2.153250      1.992395      2.245985
  H      -1.107515      5.261151      5.665389
  H      -2.007118      4.106760      6.669818
  H      -0.209258      3.528806      4.248846
  H       0.079520      2.978027      5.922214
  H      -0.384696      0.891679      1.787276
  H      -0.137920      2.537799      2.386515
  H      -1.134024      0.085541      3.940638
  H       0.362650      0.996889      4.282557
  H      -3.450895     -0.043564      6.738507
  H      -2.735491     -0.566663      5.203651
  H      -2.172932      1.979382      6.815435
  H      -1.019729      0.656633      6.483874
  C     -10.113225      0.217507      7.478839
  C      -9.100780      1.318636      7.718663
  O      -9.414412      2.509848      7.637154
  N      -7.847985      0.870270      8.055560
  C      -6.724537      1.625758      8.407727
  C      -5.543230      0.926825      8.720001
  C      -4.395097      1.613747      9.098581
  C      -4.423884      3.000677      9.182101
  F      -3.271175      3.643329      9.507383
  C      -5.576264      3.730931      8.871754
  C      -5.599930      5.228346      8.924201
  O      -5.023163      5.856186      9.799966
  C      -6.330968      5.933771      7.774802
  C      -5.847978      5.387927      6.455423
  C      -6.729282      4.882593      5.486049
  C      -6.220433      4.223287      4.373578
  N      -4.896800      4.092425      4.163317
  C      -4.027884      4.641055      5.074561
  C      -4.470056      5.274807      6.237170
  C      -6.720676      3.025509      8.470214
  C      -3.596401     -4.251721      7.642218
  C      -3.562063     -4.176856      6.129681
  O      -4.488239     -4.588964      5.432765
  N      -2.436440     -3.574010      5.614325
  C      -2.105520     -3.326285      4.267044
  C      -0.771729     -2.975352      3.989186
  C      -0.375148     -2.709779      2.682248
  C      -1.314133     -2.775161      1.661962
  F      -0.867722     -2.550204      0.392515
  C      -2.658809     -3.085656      1.897849
  C      -3.743316     -3.116793      0.857660
  O      -4.712154     -3.857809      1.006643
  C      -3.715111     -2.074901     -0.264440
  C      -3.911078     -0.748933      0.429449
  C      -5.199263     -0.340783      0.840800
  C      -5.337616      0.738542      1.700566
  N      -4.270937      1.425920      2.155230
  C      -3.027731      1.113098      1.663208
  C      -2.809779      0.020152      0.824484
  C      -3.033052     -3.382241      3.222082
  C      -6.302082     -6.532466     13.418849
  C      -6.455558     -6.874056     11.950111
  O      -6.371110     -8.031103     11.541201
  N      -6.697160     -5.789395     11.135486
  C      -6.900185     -5.752043      9.743825
  C      -6.976611     -6.907380      8.941173
  C      -7.197885     -6.774349      7.572276
  C      -7.326642     -5.516608      6.999585
  F      -7.581687     -5.461705      5.670615
  C      -7.231535     -4.339371      7.762545
  C      -7.284459     -2.949082      7.237526
  O      -7.351532     -2.005532      8.041115
  C      -7.198633     -2.719728      5.739571
  C      -6.911536     -1.298818      5.348630
  C      -7.919844     -0.462745      4.855311
  C      -7.572325      0.841195      4.505862
  N      -6.336408      1.335746      4.580504
  C      -5.341368      0.536545      5.032741
  C      -5.617159     -0.789966      5.448222
  C      -7.031109     -4.497982      9.146084
  H     -10.626864      0.408686      6.527806
  H      -9.672395     -0.786486      7.466289
  H     -10.868491      0.266376      8.276911
  H      -7.692288     -0.145456      8.002303
  H      -5.534742     -0.162438      8.654115
  H      -3.470300      1.083841      9.329805
  H      -6.126033      7.008482      7.882415
  H      -7.417455      5.785617      7.874080
  H      -7.808304      4.954787      5.624258
  H      -6.873253      3.768424      3.631058
  H      -3.749303      5.634711      6.972597
  H      -7.631755      3.555753      8.208290
  H      -2.605837     -4.178896      8.110636
  H      -4.221848     -3.428657      8.019720
  H      -4.078736     -5.190686      7.938533
  H      -1.706467     -3.349257      6.284481
  H      -0.038353     -2.929515      4.797419
  H       0.660706     -2.468422      2.442591
  H      -2.764642     -2.098220     -0.811140
  H      -4.542623     -2.308833     -0.945810
  H      -6.081823     -0.902613      0.534562
  H      -6.309134      1.041333      2.088028
  H      -1.801204     -0.242785      0.508342
  H      -4.069468     -3.644616      3.416838
  H      -5.342100     -6.932097     13.772124
  H      -6.347764     -5.457449     13.636764
  H      -7.096278     -7.044053     13.980227
  H      -6.732868     -4.884788     11.596564
  H      -6.868508     -7.887611      9.397159
  H      -7.277490     -7.654094      6.933256
  H      -8.145287     -3.064806      5.290463
  H      -6.422507     -3.393477      5.343535
  H      -8.946354     -0.816238      4.753050
  H      -8.340231      1.534999      4.143803
  H      -4.820692     -1.445405      5.800753
  H      -6.966283     -3.586182      9.744029
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959170204803
  N      -2.723468      4.287493      4.728948
  Mo     -3.334168      2.543526      3.850595
  N      -4.079095      1.079973      5.076377
  C      -3.072926      0.304116      5.809689
  C      -1.885616      1.194931      6.116686
  N      -1.465404      1.927668      4.890311
  C      -0.692400      3.163350      5.233365
  C      -1.636858      4.269264      5.691413
  C      -0.676812      1.052380      3.970780
  C      -0.746717      1.619864      2.552548
  N      -2.128007      1.983068      2.286472
  H      -1.086936      5.226382      5.723639
  H      -2.008464      4.078880      6.715992
  H      -0.187250      3.489365      4.315383
  H       0.076297      2.932620      5.990650
  H      -0.360744      0.874539      1.838649
  H      -0.110536      2.513355      2.454737
  H      -1.143215      0.057618      3.978069
  H       0.359801      0.950776      4.340212
  H      -3.477521     -0.063210      6.768774
  H      -2.755928     -0.590433      5.238600
  H      -2.184652      1.948487      6.858266
  H      -1.040089      0.617276      6.531845
  C     -10.189058      0.274190      7.391188
  C      -9.164590      1.358958      7.653379
  O      -9.457404      2.555209      7.567986
  N      -7.925337      0.890237      8.011851
  C      -6.794723      1.627329      8.380045
  C      -5.626195      0.909719      8.697964
  C      -4.472221      1.578044      9.091718
  C      -4.482733      2.964564      9.184786
  F      -3.323793      3.588822      9.524018
  C      -5.621974      3.713068      8.869537
  C      -5.624362      5.210528      8.929380
  O      -5.048060      5.825282      9.814709
  C      -6.333283      5.931559      7.775888
  C      -5.838231      5.385879      6.460727
  C      -6.711908      4.883132      5.482615
  C      -6.194431      4.221926      4.375074
  N      -4.868881      4.087399      4.179317
  C      -4.006413      4.631322      5.100826
  C      -4.458002      5.267344      6.258088
  C      -6.772437      3.026369      8.453053
  C      -3.670744     -4.310811      7.564735
  C      -3.621993     -4.218537      6.053628
  O      -4.552680     -4.597540      5.344073
  N      -2.475127     -3.641369      5.555893
  C      -2.126868     -3.375686      4.216503
  C      -0.788726     -3.025304      3.960227
  C      -0.374465     -2.740218      2.663080
  C      -1.301216     -2.784933      1.630254
  F      -0.840580     -2.537773      0.370264
  C      -2.648884     -3.095571      1.845348
  C      -3.720977     -3.105271      0.790428
  O      -4.684561     -3.858111      0.906814
  C      -3.683026     -2.036233     -0.304331
  C      -3.880429     -0.725139      0.417286
  C      -5.170142     -0.320880      0.826445
  C      -5.312172      0.744656      1.703044
  N      -4.247153      1.421237      2.177503
  C      -3.001087      1.112812      1.689784
  C      -2.780083      0.032656      0.835228
  C      -3.041622     -3.413302      3.158746
  C      -6.106700     -6.461872     13.431763
  C      -6.287329     -6.809914     11.967731
  O      -6.169647     -7.962998     11.555902
  N      -6.594517     -5.736130     11.160744
  C      -6.835410     -5.708160      9.775092
  C      -6.921820     -6.868502      8.980866
  C      -7.182257     -6.745777      7.617890
  C      -7.339332     -5.492386      7.042700
  F      -7.634058     -5.446748      5.721486
  C      -7.237326     -4.310559      7.797100
  C      -7.322844     -2.923273      7.266131
  O      -7.406604     -1.978131      8.065651
  C      -7.241296     -2.701214      5.767099
  C      -6.941916     -1.285204      5.368078
  C      -7.939182     -0.444016      4.860953
  C      -7.576144      0.853487      4.502745
  N      -6.336277      1.337027      4.582539
  C      -5.351789      0.532850      5.049503
  C      -5.643826     -0.787319      5.473453
  C      -6.998138     -4.458706      9.175224
  H     -10.677803      0.473031      6.428646
  H      -9.764150     -0.736772      7.388653
  H     -10.961358      0.335761      8.171817
  H      -7.783796     -0.127379      7.955357
  H      -5.631782     -0.178972      8.623495
  H      -3.556659      1.033962      9.326743
  H      -6.117417      7.003141      7.892510
  H      -7.422512      5.794623      7.859609
  H      -7.791924      4.958653      5.610694
  H      -6.841088      3.770386      3.625242
  H      -3.743451      5.625216      7.000508
  H      -7.673493      3.570956      8.185621
  H      -2.679549     -4.328235      8.037570
  H      -4.224102     -3.441622      7.951929
  H      -4.232303     -5.208956      7.846870
  H      -1.744537     -3.448650      6.235425
  H      -0.065544     -2.993362      4.778338
  H       0.664943     -2.497649      2.440659
  H      -2.729006     -2.049962     -0.845444
  H      -4.506490     -2.251355     -0.996847
  H      -6.052446     -0.872820      0.501925
  H      -6.286210      1.043704      2.087116
  H      -1.769701     -0.227865      0.522786
  H      -4.080559     -3.676898      3.337389
  H      -5.123999     -6.826652     13.759242
  H      -6.185383     -5.389074     13.651163
  H      -6.866885     -7.001165     14.013977
  H      -6.647179     -4.832524     11.621951
  H      -6.790523     -7.844960      9.438937
  H      -7.272069     -7.630028      6.986506
  H      -8.195220     -3.037022      5.325554
  H      -6.474711     -3.383863      5.368352
  H      -8.968051     -0.788910      4.753325
  H      -8.334724      1.551408      4.129001
  H      -4.858220     -1.447549      5.840996
  H      -6.929014     -3.543156      9.766914
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959247194473
  N      -2.729629      4.287793      4.721301
  Mo     -3.339119      2.543108      3.844301
  N      -4.080508      1.079977      5.070798
  C      -3.071949      0.306495      5.803809
  C      -1.885317      1.199299      6.107781
  N      -1.467694      1.930221      4.879383
  C      -0.694871      3.167338      5.217722
  C      -1.638867      4.271895      5.679334
  C      -0.680249      1.054088      3.959743
  C      -0.754661      1.617129      2.539719
  N      -2.137184      1.980499      2.277829
  H      -1.090594      5.230018      5.708818
  H      -2.005949      4.080964      6.705446
  H      -0.195448      3.492876      4.296408
  H       0.078233      2.938610      5.971152
  H      -0.374134      0.867400      1.827545
  H      -0.117537      2.509040      2.434712
  H      -1.145328      0.058773      3.970603
  H       0.357339      0.955371      4.327143
  H      -3.474191     -0.060911      6.763784
  H      -2.754245     -0.588002      5.232927
  H      -2.184470      1.953946      6.848175
  H      -1.038672      0.623090      6.522622
  C     -10.181996      0.267892      7.443269
  C      -9.155767      1.354103      7.692057
  O      -9.451754      2.549805      7.610159
  N      -7.911779      0.887598      8.037010
  C      -6.779980      1.627388      8.396105
  C      -5.608068      0.912776      8.707952
  C      -4.452702      1.583859      9.093122
  C      -4.465441      2.970600      9.184089
  F      -3.305957      3.597761      9.515894
  C      -5.608209      3.716140      8.874717
  C      -5.614363      5.213625      8.934659
  O      -5.034750      5.829801      9.816808
  C      -6.326886      5.932858      7.782363
  C      -5.837702      5.386615      6.465421
  C      -6.714933      4.885647      5.490188
  C      -6.201943      4.223333      4.381469
  N      -4.877361      4.085405      4.180549
  C      -4.011541      4.630655      5.097662
  C      -4.458693      5.266576      6.256964
  C      -6.759726      3.026673      8.465993
  C      -3.599010     -4.293503      7.583070
  C      -3.568582     -4.203635      6.071271
  O      -4.504904     -4.589339      5.372882
  N      -2.433107     -3.615975      5.559808
  C      -2.100563     -3.354365      4.215595
  C      -0.765439     -3.004580      3.943188
  C      -0.366071     -2.725158      2.640038
  C      -1.303841     -2.776353      1.617921
  F      -0.856738     -2.536061      0.351567
  C      -2.649114     -3.087330      1.848525
  C      -3.731604     -3.103655      0.805595
  O      -4.698406     -3.849824      0.939993
  C      -3.701893     -2.043758     -0.298694
  C      -3.896974     -0.729018      0.416430
  C      -5.185117     -0.323882      0.830151
  C      -5.323569      0.743394      1.704842
  N      -4.256214      1.420216      2.173835
  C      -3.011986      1.110939      1.681830
  C      -2.794704      0.030128      0.827289
  C      -3.026888     -3.397299      3.168471
  C      -6.206713     -6.459325     13.440541
  C      -6.361675     -6.811751     11.974601
  O      -6.241014     -7.966692     11.568879
  N      -6.648817     -5.739394     11.158408
  C      -6.864362     -5.714980      9.768447
  C      -6.924650     -6.876776      8.973767
  C      -7.160975     -6.757409      7.606123
  C      -7.319940     -5.506154      7.026783
  F      -7.589708     -5.464536      5.700249
  C      -7.241940     -4.322594      7.781538
  C      -7.322345     -2.937235      7.246798
  O      -7.418388     -1.990110      8.042995
  C      -7.225294     -2.717761      5.748326
  C      -6.931824     -1.300008      5.351046
  C      -7.931330     -0.463904      4.840155
  C      -7.574737      0.836569      4.486502
  N      -6.338114      1.327469      4.573033
  C      -5.351290      0.527891      5.042708
  C      -5.637207     -0.794849      5.462963
  C      -7.026706     -4.467696      9.164202
  H     -10.682730      0.465976      6.486776
  H      -9.755890     -0.742479      7.435803
  H     -10.944764      0.328729      8.233293
  H      -7.769474     -0.130017      7.981077
  H      -5.612434     -0.176161      8.636251
  H      -3.534820      1.041833      9.323755
  H      -6.111009      7.004713      7.896665
  H      -7.415746      5.795898      7.871398
  H      -7.794492      4.962564      5.621399
  H      -6.852232      3.771776      3.634706
  H      -3.741376      5.624350      6.996758
  H      -7.663604      3.569156      8.204102
  H      -2.602906     -4.273158      8.045153
  H      -4.180363     -3.444611      7.974174
  H      -4.124010     -5.211186      7.873236
  H      -1.699079     -3.409911      6.231557
  H      -0.033147     -2.969667      4.752966
  H       0.670777     -2.483607      2.404922
  H      -2.750990     -2.059329     -0.845041
  H      -4.528951     -2.266293     -0.984502
  H      -6.068172     -0.878050      0.511527
  H      -6.295585      1.043954      2.092801
  H      -1.785928     -0.231279      0.510226
  H      -4.063874     -3.660471      3.359288
  H      -5.230975     -6.825490     13.786816
  H      -6.286349     -5.385579     13.654887
  H      -6.978578     -6.994764     14.010787
  H      -6.708768     -4.834269     11.615867
  H      -6.792398     -7.851638      9.434889
  H      -7.229567     -7.642856      6.973747
  H      -8.171360     -3.062072      5.296642
  H      -6.449327     -3.395533      5.359138
  H      -8.957733     -0.814435      4.727515
  H      -8.335938      1.530423      4.110640
  H      -4.847624     -1.450596      5.830007
  H      -6.974844     -3.551005      9.755879
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959126386800
  N      -2.753585      4.310093      4.680966
  Mo     -3.353081      2.559423      3.812055
  N      -4.079369      1.100728      5.050214
  C      -3.064452      0.334474      5.782172
  C      -1.883225      1.236857      6.077849
  N      -1.476572      1.963655      4.843493
  C      -0.709236      3.207393      5.171458
  C      -1.658118      4.306530      5.633562
  C      -0.684045      1.086525      3.928999
  C      -0.768860      1.635847      2.504984
  N      -2.156277      1.986294      2.248213
  H      -1.117272      5.269045      5.656576
  H      -2.018484      4.116973      6.662344
  H      -0.218265      3.531745      4.245118
  H       0.070292      2.987389      5.920762
  H      -0.388485      0.883395      1.795831
  H      -0.141464      2.533005      2.387154
  H      -1.141238      0.087901      3.951702
  H       0.355215      0.999609      4.294060
  H      -3.463171     -0.029344      6.744816
  H      -2.744752     -0.560602      5.213648
  H      -2.185186      1.992603      6.815777
  H      -1.030312      0.669236      6.491364
  C     -10.053217      0.194916      7.459455
  C      -9.054544      1.308736      7.698906
  O      -9.382300      2.495739      7.612194
  N      -7.800066      0.875902      8.050012
  C      -6.688632      1.644829      8.411291
  C      -5.504957      0.959509      8.744496
  C      -4.367103      1.659895      9.129315
  C      -4.408502      3.047356      9.198998
  F      -3.265320      3.702845      9.531375
  C      -5.564304      3.764249      8.870205
  C      -5.603123      5.261400      8.910638
  O      -5.032588      5.902759      9.780743
  C      -6.341581      5.950016      7.755987
  C      -5.857585      5.397681      6.439792
  C      -6.738411      4.890453      5.470770
  C      -6.228999      4.229520      4.359737
  N      -4.905068      4.098071      4.150428
  C      -4.036819      4.646579      5.061123
  C      -4.480153      5.282629      6.222709
  C      -6.697761      3.044998      8.462302
  C      -3.613046     -4.275537      7.655179
  C      -3.583295     -4.189108      6.143059
  O      -4.511322     -4.594372      5.444391
  N      -2.457020     -3.585320      5.630603
  C      -2.122915     -3.333895      4.285096
  C      -0.789022     -2.977162      4.013900
  C      -0.387003     -2.711768      2.708575
  C      -1.320271     -2.782406      1.683777
  F      -0.867228     -2.558046      0.416298
  C      -2.665187     -3.098047      1.912609
  C      -3.743718     -3.133719      0.867486
  O      -4.715394     -3.871499      1.014856
  C      -3.712143     -2.090386     -0.253983
  C      -3.909169     -0.764979      0.440230
  C      -5.198078     -0.355065      0.848234
  C      -5.337566      0.728204      1.702469
  N      -4.272382      1.419537      2.155228
  C      -3.028861      1.103694      1.666810
  C      -2.808963      0.005698      0.835523
  C      -3.044179     -3.395132      3.235358
  C      -6.279355     -6.570982     13.391147
  C      -6.443956     -6.903165     11.921429
  O      -6.365481     -8.057850     11.504642
  N      -6.686672     -5.812572     11.115216
  C      -6.899473     -5.765750      9.725036
  C      -6.982847     -6.915876      8.915356
  C      -7.216561     -6.773623      7.549340
  C      -7.349573     -5.512239      6.985859
  F      -7.619469     -5.447654      5.660491
  C      -7.243301     -4.339862      7.754995
  C      -7.288733     -2.947753      7.236649
  O      -7.355905     -2.007241      8.043972
  C      -7.211671     -2.710943      5.738813
  C      -6.923087     -1.287438      5.355634
  C      -7.932318     -0.445863      4.874219
  C      -7.584378      0.859421      4.530034
  N      -6.346512      1.350217      4.597218
  C      -5.350511      0.545767      5.037757
  C      -5.626758     -0.781816      5.450434
  C      -7.032182     -4.507669      9.136115
  H     -10.564152      0.375423      6.504991
  H      -9.600787     -0.804039      7.454233
  H     -10.812994      0.238681      8.253572
  H      -7.633770     -0.138038      8.005212
  H      -5.486668     -0.130407      8.690395
  H      -3.440670      1.140135      9.376377
  H      -6.145143      7.027308      7.853313
  H      -7.426763      5.794339      7.858318
  H      -7.817524      4.963472      5.608161
  H      -6.880664      3.772571      3.617555
  H      -3.760272      5.643346      6.958700
  H      -7.610792      3.565038      8.187557
  H      -2.620395     -4.202982      8.119124
  H      -4.239505     -3.457046      8.041817
  H      -4.090445     -5.218374      7.946789
  H      -1.728797     -3.361197      6.302842
  H      -0.059592     -2.929266      4.825543
  H       0.649317     -2.467816      2.473660
  H      -2.759764     -2.113113     -0.797212
  H      -4.536819     -2.323897     -0.938811
  H      -6.079947     -0.919468      0.544815
  H      -6.309557      1.033421      2.086453
  H      -1.799771     -0.256462      0.520596
  H      -4.080174     -3.663041      3.423900
  H      -5.318080     -6.975487     13.735325
  H      -6.320306     -5.497158     13.615644
  H      -7.071085     -7.083569     13.955053
  H      -6.715714     -4.910540     11.582102
  H      -6.871052     -7.899198      9.363704
  H      -7.302234     -7.649086      6.905236
  H      -8.160836     -3.052383      5.292655
  H      -6.438776     -3.383513      5.334131
  H      -8.960497     -0.796148      4.777292
  H      -8.353054      1.556994      4.177119
  H      -4.828722     -1.438733      5.795705
  H      -6.958129     -3.599675      9.738774
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959230139304
  N      -2.743221      4.308458      4.689832
  Mo     -3.342989      2.561984      3.813487
  N      -4.071427      1.099399      5.046082
  C      -3.057219      0.332076      5.777785
  C      -1.875412      1.232727      6.076075
  N      -1.466856      1.962239      4.843771
  C      -0.698607      3.203989      5.176112
  C      -1.647053      4.302410      5.641486
  C      -0.675874      1.086934      3.926242
  C      -0.760058      1.641211      2.503972
  N      -2.146516      1.994197      2.247156
  H      -1.105997      5.264743      5.666209
  H      -2.006631      4.110580      6.670101
  H      -0.206112      3.531001      4.251518
  H       0.079886      2.980667      5.925529
  H      -0.378941      0.891055      1.792694
  H      -0.131154      2.537873      2.390304
  H      -1.133945      0.088695      3.945575
  H       0.363470      0.997662      4.290591
  H      -3.456297     -0.033889      6.739638
  H      -2.737058     -0.562069      5.208018
  H      -2.177133      1.987154      6.815508
  H      -1.023583      0.663117      6.489201
  C     -10.138114      0.235396      7.485665
  C      -9.117111      1.329758      7.719980
  O      -9.422643      2.522818      7.635385
  N      -7.867789      0.873596      8.059906
  C      -6.740014      1.622864      8.411795
  C      -5.563178      0.918114      8.728473
  C      -4.411638      1.599599      9.106852
  C      -4.432487      2.987066      9.186409
  F      -3.276814      3.623766      9.512346
  C      -5.580495      3.722790      8.872355
  C      -5.598289      5.220289      8.922678
  O      -5.023415      5.847744      9.800007
  C      -6.331321      5.926310      7.774940
  C      -5.847900      5.385045      6.453955
  C      -6.728353      4.881842      5.482363
  C      -6.218063      4.226661      4.367912
  N      -4.893963      4.097937      4.158729
  C      -4.026416      4.643592      5.072255
  C      -4.470062      5.274411      6.235982
  C      -6.727928      3.022642      8.470598
  C      -3.612262     -4.282753      7.634448
  C      -3.580068     -4.196907      6.122392
  O      -4.504864     -4.606321      5.422134
  N      -2.452315     -3.594270      5.611693
  C      -2.116798     -3.340160      4.266984
  C      -0.782945     -2.982300      3.997832
  C      -0.379991     -2.712038      2.693829
  C      -1.312926     -2.778012      1.668355
  F      -0.859869     -2.547739      0.402010
  C      -2.657985     -3.094233      1.895477
  C      -3.736509     -3.122946      0.849445
  O      -4.705784     -3.865229      0.989629
  C      -3.703537     -2.074712     -0.266994
  C      -3.900364     -0.751100      0.431045
  C      -5.189356     -0.341165      0.838296
  C      -5.329146      0.739832      1.695419
  N      -4.264009      1.428759      2.151941
  C      -3.020285      1.113555      1.664404
  C      -2.800353      0.017641      0.829957
  C      -3.037751     -3.397957      3.216385
  C      -6.264302     -6.521973     13.414581
  C      -6.427631     -6.864507     11.947100
  O      -6.345781     -8.021705     11.538042
  N      -6.674974     -5.780248     11.133772
  C      -6.887090     -5.743452      9.743268
  C      -6.974942     -6.899421      8.942578
  C      -7.206360     -6.766755      7.575211
  C      -7.333878     -5.509175      7.001994
  F      -7.599586     -5.454204      5.675190
  C      -7.226191     -4.331366      7.762504
  C      -7.272070     -2.942273      7.235249
  O      -7.325006     -1.996362      8.037255
  C      -7.199015     -2.715255      5.735879
  C      -6.910599     -1.294768      5.342744
  C      -7.918819     -0.458536      4.849773
  C      -7.571890      0.845761      4.501149
  N      -6.336076      1.340620      4.575564
  C      -5.340871      0.541317      5.027059
  C      -5.616270     -0.785404      5.442774
  C      -7.015756     -4.489463      9.144794
  H     -10.650971      0.426966      6.534381
  H      -9.704779     -0.771887      7.476404
  H     -10.892088      0.292806      8.284401
  H      -7.719209     -0.143023      8.009981
  H      -5.561019     -0.171662      8.667077
  H      -3.490454      1.065005      9.341611
  H      -6.128429      7.001233      7.884313
  H      -7.417536      5.775924      7.874488
  H      -7.807504      4.951672      5.620918
  H      -6.869325      3.772677      3.623602
  H      -3.750545      5.633503      6.973105
  H      -7.635908      3.557495      8.207534
  H      -2.619229     -4.219715      8.099189
  H      -4.230314     -3.457555      8.020547
  H      -4.098816     -5.220859      7.926129
  H      -1.724737     -3.371364      6.285044
  H      -0.054218     -2.936687      4.810250
  H       0.656437     -2.466875      2.460629
  H      -2.751141     -2.096674     -0.810273
  H      -4.528384     -2.304462     -0.952980
  H      -6.071479     -0.902980      0.530793
  H      -6.301660      1.044405      2.078848
  H      -1.790820     -0.245082      0.516701
  H      -4.073716     -3.666928      3.403668
  H      -5.301771     -6.920997     13.761596
  H      -6.308961     -5.446836     13.631990
  H      -7.054459     -7.033450     13.981717
  H      -6.705334     -4.875100     11.594335
  H      -6.867482     -7.879714      9.398557
  H      -7.294592     -7.646814      6.937750
  H      -8.149962     -3.058221      5.294552
  H      -6.427890     -3.391091      5.333780
  H      -8.945418     -0.811868      4.747986
  H      -8.340418      1.539510      4.140382
  H      -4.819378     -1.438552      5.797764
  H      -6.940154     -3.577285      9.740883
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959031222927
  N      -2.723306      4.279548      4.739884
  Mo     -3.341258      2.536624      3.864749
  N      -4.091473      1.078151      5.091214
  C      -3.086179      0.301302      5.825531
  C      -1.894972      1.188304      6.128987
  N      -1.472193      1.915874      4.900311
  C      -0.693568      3.149554      5.237361
  C      -1.632188      4.259675      5.697608
  C      -0.690293      1.034916      3.980616
  C      -0.761347      1.597634      2.559822
  N      -2.141453      1.969679      2.297191
  H      -1.079144      5.215080      5.725255
  H      -1.999868      4.072056      6.724099
  H      -0.192503      3.471410      4.315678
  H       0.078370      2.917890      5.991162
  H      -0.385837      0.843623      1.849444
  H      -0.117163      2.484284      2.453728
  H      -1.161037      0.042108      3.990958
  H       0.346852      0.930544      4.347989
  H      -3.488777     -0.064207      6.785935
  H      -2.771873     -0.595282      5.255670
  H      -2.190614      1.945642      6.868136
  H      -1.052104      0.607588      6.545373
  C     -10.188594      0.280622      7.374756
  C      -9.163928      1.362270      7.648462
  O      -9.460201      2.559203      7.588851
  N      -7.918687      0.889955      7.980846
  C      -6.786332      1.623378      8.351333
  C      -5.614156      0.903026      8.647504
  C      -4.457855      1.566457      9.043072
  C      -4.470173      2.951288      9.159204
  F      -3.309413      3.572314      9.498361
  C      -5.613106      3.702688      8.865502
  C      -5.616867      5.199351      8.948317
  O      -5.032583      5.800651      9.837560
  C      -6.316390      5.936372      7.799533
  C      -5.827878      5.393867      6.480930
  C      -6.705899      4.898227      5.504106
  C      -6.194585      4.231622      4.397306
  N      -4.870549      4.085126      4.199149
  C      -4.003294      4.628758      5.116372
  C      -4.448785      5.267514      6.274433
  C      -6.765989      3.021249      8.446996
  C      -3.576557     -4.258768      7.596611
  C      -3.557563     -4.178440      6.083951
  O      -4.506000     -4.551921      5.395535
  N      -2.418235     -3.609229      5.559820
  C      -2.094621     -3.355820      4.211795
  C      -0.758652     -3.020094      3.926660
  C      -0.367790     -2.748568      2.619225
  C      -1.314907     -2.793814      1.605576
  F      -0.876837     -2.562846      0.334331
  C      -2.661094     -3.091212      1.848783
  C      -3.752743     -3.098719      0.815144
  O      -4.720260     -3.843225      0.953743
  C      -3.725065     -2.039267     -0.289325
  C      -3.914882     -0.724457      0.426907
  C      -5.200895     -0.316757      0.844579
  C      -5.334586      0.747702      1.723387
  N      -4.263572      1.417859      2.193707
  C      -3.020774      1.106330      1.698807
  C      -2.809148      0.029549      0.837738
  C      -3.030682     -3.393665      3.172879
  C      -6.178116     -6.444591     13.439025
  C      -6.322574     -6.797199     11.972078
  O      -6.174500     -7.948057     11.563909
  N      -6.635232     -5.730340     11.157992
  C      -6.848636     -5.708039      9.767861
  C      -6.883505     -6.869366      8.971066
  C      -7.117112     -6.752253      7.602822
  C      -7.298546     -5.503263      7.025175
  F      -7.562436     -5.464673      5.697335
  C      -7.248622     -4.319907      7.782616
  C      -7.352589     -2.935181      7.250087
  O      -7.460248     -1.990511      8.047855
  C      -7.244265     -2.712970      5.753053
  C      -6.948583     -1.295420      5.358187
  C      -7.941933     -0.460941      4.832703
  C      -7.580158      0.837322      4.476215
  N      -6.344089      1.327519      4.573839
  C      -5.363348      0.529640      5.058833
  C      -5.655018     -0.790896      5.481378
  C      -7.035155     -4.463280      9.165646
  H     -10.687331      0.498690      6.421518
  H      -9.761564     -0.729013      7.346534
  H     -10.953155      0.324174      8.164080
  H      -7.774641     -0.125957      7.901063
  H      -5.619590     -0.184309      8.556767
  H      -3.539629      1.020114      9.261850
  H      -6.089727      7.004965      7.923271
  H      -7.406875      5.809809      7.883956
  H      -7.785285      4.980099      5.633581
  H      -6.846537      3.783689      3.649730
  H      -3.730890      5.623036      7.014682
  H      -7.669643      3.568738      8.194712
  H      -2.575678     -4.256993      8.048901
  H      -4.134798     -3.395333      7.988475
  H      -4.118391     -5.163089      7.898045
  H      -1.676693     -3.407612      6.224607
  H      -0.019277     -2.989321      4.730148
  H       0.669356     -2.517878      2.374644
  H      -2.776644     -2.057029     -0.839912
  H      -4.555649     -2.260447     -0.971397
  H      -6.086090     -0.866938      0.524884
  H      -6.304851      1.049959      2.114848
  H      -1.802031     -0.235045      0.518102
  H      -4.068638     -3.646166      3.374057
  H      -5.194237     -6.787771     13.785766
  H      -6.284172     -5.373620     13.655828
  H      -6.937472     -7.000045     14.006935
  H      -6.716044     -4.827717     11.616837
  H      -6.732911     -7.842246      9.430751
  H      -7.165485     -7.637714      6.968591
  H      -8.187354     -3.057273      5.294821
  H      -6.465665     -3.389662      5.367533
  H      -8.967062     -0.811476      4.709154
  H      -8.336629      1.529493      4.087893
  H      -4.869049     -1.446544      5.856839
  H      -7.003554     -3.546985      9.759368
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959267803819
  N      -2.728638      4.282359      4.723747
  Mo     -3.338572      2.537316      3.847871
  N      -4.086403      1.077104      5.073400
  C      -3.081796      0.303360      5.811480
  C      -1.894610      1.194721      6.117540
  N      -1.471856      1.922766      4.889315
  C      -0.697523      3.158975      5.227865
  C      -1.640692      4.265993      5.684970
  C      -0.683172      1.043893      3.973440
  C      -0.750930      1.605684      2.552698
  N      -2.131937      1.972144      2.285948
  H      -1.090752      5.223154      5.714544
  H      -2.011024      4.077294      6.710336
  H      -0.195023      3.481951      4.307329
  H       0.073092      2.929940      5.983724
  H      -0.370726      0.853851      1.842597
  H      -0.111350      2.495881      2.448192
  H      -1.151384      0.050025      3.983217
  H       0.352701      0.942550      4.344880
  H      -3.488065     -0.060681      6.771067
  H      -2.764061     -0.593256      5.243839
  H      -2.194944      1.951223      6.855524
  H      -1.050385      0.617705      6.536140
  C     -10.168935      0.265394      7.439805
  C      -9.146060      1.355069      7.687357
  O      -9.444573      2.549652      7.598842
  N      -7.902664      0.892924      8.040473
  C      -6.774321      1.636741      8.402325
  C      -5.602789      0.926138      8.724800
  C      -4.450904      1.601404      9.113041
  C      -4.466586      2.988587      9.196254
  F      -3.310122      3.619691      9.530824
  C      -5.609168      3.730152      8.876818
  C      -5.619174      5.227771      8.929658
  O      -5.044408      5.849640      9.811001
  C      -6.330888      5.939929      7.772532
  C      -5.839609      5.388545      6.458576
  C      -6.715260      4.886791      5.482334
  C      -6.200679      4.222425      4.375639
  N      -4.875739      4.082373      4.177713
  C      -4.011351      4.627548      5.096072
  C      -4.460465      5.265773      6.253471
  C      -6.757107      3.036360      8.465463
  C      -3.628122     -4.291466      7.573653
  C      -3.592724     -4.200088      6.061959
  O      -4.527980     -4.580881      5.359424
  N      -2.452125     -3.618451      5.555107
  C      -2.112934     -3.357388      4.212652
  C      -0.776673     -3.006011      3.947394
  C      -0.370339     -2.727649      2.646166
  C      -1.302403     -2.780825      1.619038
  F      -0.848469     -2.541105      0.354896
  C      -2.648677     -3.093078      1.842417
  C      -3.725738     -3.108828      0.794113
  O      -4.692897     -3.855571      0.922296
  C      -3.692877     -2.044145     -0.305706
  C      -3.888961     -0.732064      0.413821
  C      -5.177879     -0.326300      0.824760
  C      -5.317632      0.739481      1.701035
  N      -4.251046      1.414405      2.174705
  C      -3.005880      1.104275      1.686019
  C      -2.787229      0.024768      0.830339
  C      -3.033074     -3.403182      3.160323
  C      -6.171628     -6.461940     13.431157
  C      -6.330792     -6.812600     11.965235
  O      -6.203321     -7.965730     11.556431
  N      -6.629654     -5.740717     11.152676
  C      -6.851849     -5.715074      9.763713
  C      -6.912322     -6.876022      8.967743
  C      -7.157254     -6.755600      7.601655
  C      -7.323656     -5.504161      7.024894
  F      -7.604032     -5.461417      5.700701
  C      -7.243811     -4.321239      7.780558
  C      -7.328478     -2.935762      7.247264
  O      -7.427327     -1.989459      8.044103
  C      -7.239028     -2.714736      5.748274
  C      -6.942962     -1.297057      5.351821
  C      -7.940315     -0.458780      4.840541
  C      -7.580945      0.841104      4.487294
  N      -6.343279      1.329373      4.573819
  C      -5.358393      0.527443      5.043497
  C      -5.647355     -0.794472      5.464412
  C      -7.021080     -4.467513      9.161947
  H     -10.665604      0.457250      6.479941
  H      -9.740703     -0.744137      7.439735
  H     -10.935388      0.328872      8.226029
  H      -7.758053     -0.124397      7.989916
  H      -5.604669     -0.163211      8.659414
  H      -3.533422      1.062311      9.351961
  H      -6.116501      7.012618      7.881837
  H      -7.419737      5.802249      7.860859
  H      -7.795022      4.965529      5.610862
  H      -6.849785      3.770478      3.628129
  H      -3.744545      5.624231      6.994324
  H      -7.660585      3.575904      8.196352
  H      -2.632419     -4.280955      8.037015
  H      -4.201847     -3.437657      7.965282
  H      -4.161634     -5.204673      7.862198
  H      -1.720781     -3.413767      6.230221
  H      -0.048939     -2.969606      4.761212
  H       0.667592     -2.485440      2.416597
  H      -2.740421     -2.057809     -0.849397
  H      -4.517865     -2.263670     -0.994945
  H      -6.060545     -0.879084      0.502680
  H      -6.290373      1.040783      2.086470
  H      -1.777791     -0.236347      0.515150
  H      -4.070746     -3.667799      3.345406
  H      -5.191382     -6.821034     13.772102
  H      -6.258781     -5.389286     13.647960
  H      -6.936504     -7.004585     14.003988
  H      -6.692488     -4.836686     11.611960
  H      -6.774033     -7.851105      9.426624
  H      -7.227006     -7.640440      6.968553
  H      -8.188262     -3.055875      5.300953
  H      -6.467049     -3.393764      5.353535
  H      -8.967426     -0.807072      4.727316
  H      -8.340708      1.536533      4.111474
  H      -4.859071     -1.450614      5.833316
  H      -6.968127     -3.551393      9.754442
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959243103810
  N      -2.747412      4.312363      4.694066
  Mo     -3.348052      2.565664      3.819307
  N      -4.078121      1.105385      5.053144
  C      -3.064611      0.338592      5.786486
  C      -1.882296      1.238857      6.083721
  N      -1.472728      1.965944      4.850368
  C      -0.703204      3.207439      5.180786
  C      -1.650627      4.307208      5.645022
  C      -0.682633      1.088234      3.934408
  C      -0.765858      1.640109      2.511185
  N      -2.151845      1.995017      2.253802
  H      -1.109056      5.269288      5.667816
  H      -2.009627      4.117215      6.674171
  H      -0.210759      3.532669      4.255538
  H       0.075356      2.984409      5.930222
  H      -0.386450      0.887698      1.801387
  H      -0.135360      2.535371      2.395473
  H      -1.142086      0.090647      3.955160
  H       0.356493      0.998231      4.299209
  H      -3.464175     -0.025432      6.748870
  H      -2.744896     -0.556736      5.218340
  H      -2.183814      1.994754      6.821725
  H      -1.031127      0.669182      6.498137
  C     -10.116169      0.230004      7.447644
  C      -9.101285      1.327756      7.692668
  O      -9.411945      2.519851      7.613590
  N      -7.851368      0.875210      8.035331
  C      -6.728316      1.626989      8.396779
  C      -5.550391      0.925042      8.715612
  C      -4.403073      1.608882      9.102520
  C      -4.429188      2.995906      9.188042
  F      -3.277260      3.635333      9.521777
  C      -5.578419      3.728871      8.872188
  C      -5.601418      5.226116      8.927473
  O      -5.030212      5.852679      9.807813
  C      -6.333681      5.933141      7.779909
  C      -5.850955      5.392120      6.458648
  C      -6.731950      4.889216      5.487443
  C      -6.222401      4.232999      4.373309
  N      -4.898458      4.102770      4.164070
  C      -4.030340      4.648618      5.076811
  C      -4.473236      5.280515      6.240237
  C      -6.721622      3.026506      8.462340
  C      -3.591650     -4.306736      7.633452
  C      -3.569311     -4.213738      6.121622
  O      -4.502402     -4.611290      5.425516
  N      -2.440221     -3.617343      5.606505
  C      -2.111304     -3.358429      4.261108
  C      -0.776999     -3.006630      3.986079
  C      -0.379641     -2.733627      2.680908
  C      -1.318403     -2.790985      1.660331
  F      -0.870837     -2.559353      0.392230
  C      -2.663957     -3.100677      1.893503
  C      -3.747603     -3.121112      0.852775
  O      -4.718101     -3.861766      0.993230
  C      -3.713999     -2.071251     -0.262262
  C      -3.908878     -0.748093      0.437068
  C      -5.197408     -0.336474      0.844140
  C      -5.335963      0.744565      1.701315
  N      -4.270038      1.432125      2.158098
  C      -3.026664      1.115302      1.670927
  C      -2.807959      0.019174      0.836422
  C      -3.038308     -3.406923      3.215390
  C      -6.275792     -6.521138     13.419326
  C      -6.429220     -6.862857     11.950577
  O      -6.336546     -8.018799     11.540285
  N      -6.680943     -5.779374     11.137572
  C      -6.886266     -5.742254      9.746018
  C      -6.963030     -6.897813      8.943609
  C      -7.189481     -6.764955      7.575410
  C      -7.323188     -5.507598      7.003139
  F      -7.583335     -5.452869      5.675241
  C      -7.225928     -4.329945      7.765379
  C      -7.276705     -2.940639      7.239598
  O      -7.329926     -1.995736      8.042782
  C      -7.203406     -2.711407      5.740542
  C      -6.916178     -1.290109      5.349068
  C      -7.924368     -0.454835      4.854300
  C      -7.578027      0.849581      4.505325
  N      -6.342666      1.345443      4.580814
  C      -5.347603      0.547137      5.034218
  C      -5.622521     -0.779411      5.450765
  C      -7.020018     -4.488442      9.148344
  H     -10.625862      0.424677      6.495307
  H      -9.678074     -0.775201      7.434364
  H     -10.873760      0.279236      8.243479
  H      -7.698294     -0.140335      7.980288
  H      -5.543862     -0.164456      8.648998
  H      -3.481061      1.076500      9.339045
  H      -6.130293      7.007934      7.889766
  H      -7.419983      5.783341      7.879596
  H      -7.811032      4.959795      5.626180
  H      -6.874178      3.779151      3.629363
  H      -3.753391      5.639730      6.976979
  H      -7.630114      3.559418      8.197133
  H      -2.594549     -4.253642      8.090695
  H      -4.200178     -3.478672      8.028540
  H      -4.082847     -5.242690      7.924293
  H      -1.707323     -3.401875      6.276466
  H      -0.043640     -2.968332      4.794685
  H       0.656902     -2.493522      2.443011
  H      -2.762077     -2.093838     -0.806379
  H      -4.539606     -2.299189     -0.947932
  H      -6.080174     -0.896989      0.536096
  H      -6.308140      1.050690      2.084357
  H      -1.798722     -0.244513      0.522987
  H      -4.074634     -3.671248      3.407178
  H      -5.311633     -6.912603     13.770430
  H      -6.330477     -5.446723     13.638005
  H      -7.064352     -7.040015     13.981929
  H      -6.720039     -4.875052     11.599124
  H      -6.851061     -7.877973      9.398763
  H      -7.269071     -7.644793      6.936503
  H      -8.153894     -3.054808      5.298593
  H      -6.431351     -3.385849      5.337649
  H      -8.950543     -0.809056      4.751015
  H      -8.346572      1.542321      4.142668
  H      -4.825027     -1.431517      5.806150
  H      -6.952329     -3.576506      9.745747
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959278104700
  N      -2.732382      4.289963      4.715120
  Mo     -3.340148      2.544547      3.840010
  N      -4.084740      1.085823      5.068199
  C      -3.078909      0.313518      5.806344
  C      -1.892642      1.206772      6.110007
  N      -1.472542      1.933385      4.880003
  C      -0.698629      3.170733      5.215843
  C      -1.642402      4.276514      5.673991
  C      -0.683275      1.053500      3.965506
  C      -0.753834      1.611320      2.543606
  N      -2.135974      1.975473      2.278566
  H      -1.094272      5.234767      5.701509
  H      -2.010142      4.088125      6.700353
  H      -0.198495      3.493423      4.293897
  H       0.073847      2.943197      5.970228
  H      -0.374512      0.858412      1.834247
  H      -0.116237      2.502467      2.435253
  H      -1.150083      0.059077      3.978875
  H       0.353056      0.954671      4.336178
  H      -3.484552     -0.048971      6.766714
  H      -2.761170     -0.583597      5.239575
  H      -2.193292      1.963754      6.847318
  H      -1.046994      0.631610      6.528206
  C     -10.157662      0.257931      7.436932
  C      -9.136655      1.349323      7.684850
  O      -9.438608      2.543406      7.601687
  N      -7.891046      0.888887      8.032438
  C      -6.763703      1.633688      8.395069
  C      -5.590970      0.924169      8.715683
  C      -4.439780      1.600399      9.104384
  C      -4.457155      2.987488      9.190066
  F      -3.301492      3.619506      9.525293
  C      -5.601014      3.727988      8.872501
  C      -5.613744      5.225428      8.927834
  O      -5.038667      5.847517      9.808824
  C      -6.330401      5.937646      7.773780
  C      -5.841478      5.390095      6.457441
  C      -6.718600      4.889566      5.481740
  C      -6.205432      4.227519      4.373000
  N      -4.880741      4.089165      4.172473
  C      -4.015323      4.633239      5.089731
  C      -4.462811      5.269463      6.249012
  C      -6.748159      3.033185      8.460599
  C      -3.622388     -4.295202      7.600012
  C      -3.592096     -4.200475      6.088372
  O      -4.527488     -4.584293      5.387637
  N      -2.454396     -3.615182      5.579299
  C      -2.117478     -3.354797      4.236177
  C      -0.781614     -3.002800      3.969242
  C      -0.376401     -2.727836      2.666945
  C      -1.308999     -2.784512      1.640579
  F      -0.855007     -2.549596      0.375454
  C      -2.655284     -3.096191      1.865494
  C      -3.732739     -3.115907      0.817950
  O      -4.701495     -3.859966      0.950308
  C      -3.698633     -2.056988     -0.287926
  C      -3.893885     -0.740631      0.423818
  C      -5.182638     -0.331802      0.832612
  C      -5.321660      0.739486      1.702118
  N      -4.255085      1.418027      2.170640
  C      -3.010482      1.104466      1.683300
  C      -2.792116      0.019078      0.835066
  C      -3.038213     -3.403203      3.184656
  C      -6.175246     -6.482126     13.416433
  C      -6.340996     -6.828780     11.950248
  O      -6.226517     -7.982549     11.539377
  N      -6.630114     -5.752480     11.140064
  C      -6.855364     -5.722117      9.751578
  C      -6.925547     -6.880835      8.953125
  C      -7.173668     -6.755482      7.588012
  C      -7.333908     -5.501759      7.014548
  F      -7.617772     -5.454242      5.691312
  C      -7.243174     -4.320911      7.772467
  C      -7.318262     -2.934005      7.242490
  O      -7.397741     -1.988088      8.042130
  C      -7.235463     -2.709463      5.743445
  C      -6.939541     -1.290817      5.349621
  C      -7.938577     -0.451593      4.843284
  C      -7.580959      0.849212      4.491813
  N      -6.343285      1.337845      4.575968
  C      -5.356884      0.535330      5.041241
  C      -5.643732     -0.787826      5.460025
  C      -7.017088     -4.472072      9.152928
  H     -10.659751      0.452925      6.480567
  H      -9.726555     -0.750366      7.429858
  H     -10.920205      0.315311      8.227437
  H      -7.744691     -0.127993      7.979129
  H      -5.591543     -0.165164      8.648904
  H      -3.521546      1.062051      9.342109
  H      -6.118562      7.010759      7.884037
  H      -7.418674      5.797171      7.864907
  H      -7.798193      4.966736      5.612725
  H      -6.855115      3.775670      3.625957
  H      -3.745910      5.626859      6.989466
  H      -7.652625      3.572003      8.193503
  H      -2.625562     -4.272373      8.060446
  H      -4.206692     -3.450006      7.994884
  H      -4.142463     -5.216294      7.888081
  H      -1.722552     -3.408061      6.253088
  H      -0.053175     -2.964682      4.782328
  H       0.661359     -2.486361      2.435836
  H      -2.745995     -2.074446     -0.831083
  H      -4.523424     -2.279463     -0.976412
  H      -6.065526     -0.887029      0.515420
  H      -6.294158      1.043136      2.086386
  H      -1.782729     -0.243534      0.521035
  H      -4.075558     -3.668138      3.370604
  H      -5.197700     -6.851114     13.754593
  H      -6.251581     -5.409032     13.635116
  H      -6.943978     -7.018339     13.990138
  H      -6.682972     -4.848641     11.601067
  H      -6.792178     -7.857894      9.409220
  H      -7.250477     -7.638317      6.952921
  H      -8.186200     -3.049137      5.298576
  H      -6.465146     -3.388082      5.344630
  H      -8.965931     -0.800000      4.732467
  H      -8.342064      1.545167      4.119737
  H      -4.853610     -1.443972      5.824749
  H      -6.955224     -3.557608      9.747108
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959238155674
  N      -2.722401      4.279450      4.741822
  Mo     -3.335994      2.534376      3.867135
  N      -4.094183      1.076781      5.089915
  C      -3.095779      0.301267      5.834559
  C      -1.906628      1.188706      6.144392
  N      -1.476092      1.913979      4.917390
  C      -0.698892      3.147721      5.258717
  C      -1.640100      4.259187      5.709304
  C      -0.686927      1.032092      4.004836
  C      -0.743983      1.596320      2.584589
  N      -2.122050      1.968645      2.310568
  H      -1.086089      5.213933      5.741280
  H      -2.017078      4.073044      6.732716
  H      -0.189957      3.467755      4.340738
  H       0.066553      2.916440      6.019098
  H      -0.362688      0.844079      1.875503
  H      -0.100233      2.484114      2.485210
  H      -1.160765      0.040784      4.010210
  H       0.346320      0.924403      4.381835
  H      -3.507790     -0.058923      6.793086
  H      -2.778719     -0.597920      5.270534
  H      -2.207334      1.947179      6.880226
  H      -1.066293      0.609175      6.567346
  C     -10.193112      0.288384      7.410952
  C      -9.168684      1.374972      7.665792
  O      -9.462128      2.570502      7.573094
  N      -7.929944      0.908703      8.029552
  C      -6.801239      1.648421      8.398431
  C      -5.634765      0.933128      8.728498
  C      -4.482505      1.603711      9.123548
  C      -4.492865      2.990960      9.206198
  F      -3.335743      3.617295      9.547367
  C      -5.630354      3.737263      8.879577
  C      -5.633945      5.235005      8.931074
  O      -5.061390      5.855064      9.815142
  C      -6.336725      5.949417      7.769873
  C      -5.839522      5.395775      6.459094
  C      -6.711459      4.895149      5.478725
  C      -6.192925      4.228454      4.375399
  N      -4.867180      4.085136      4.184799
  C      -4.005897      4.628584      5.107371
  C      -4.459536      5.269127      6.261728
  C      -6.778693      3.048014      8.461450
  C      -3.649702     -4.377282      7.527379
  C      -3.617338     -4.256773      6.017635
  O      -4.562427     -4.603774      5.310655
  N      -2.465702     -3.689611      5.519299
  C      -2.122174     -3.408197      4.182164
  C      -0.783213     -3.059745      3.926434
  C      -0.370612     -2.764472      2.631008
  C      -1.299310     -2.797618      1.599926
  F      -0.840075     -2.541933      0.340852
  C      -2.647763     -3.105805      1.814414
  C      -3.720806     -3.102240      0.761481
  O      -4.687121     -3.852710      0.870793
  C      -3.679776     -2.022310     -0.323054
  C      -3.875934     -0.718755      0.411786
  C      -5.165656     -0.314569      0.821451
  C      -5.307147      0.744322      1.705877
  N      -4.241435      1.414009      2.188829
  C      -2.994782      1.105407      1.702725
  C      -2.774445      0.032049      0.839915
  C      -3.038891     -3.433531      3.125940
  C      -6.091768     -6.415032     13.435606
  C      -6.252083     -6.769920     11.970862
  O      -6.096258     -7.919113     11.560809
  N      -6.586441     -5.706692     11.160760
  C      -6.819241     -5.687548      9.773463
  C      -6.867814     -6.851189      8.980605
  C      -7.125877     -6.738096      7.616255
  C      -7.316154     -5.490753      7.038111
  F      -7.610068     -5.454791      5.716650
  C      -7.247748     -4.305076      7.790349
  C      -7.354040     -2.922825      7.252603
  O      -7.476567     -1.976008      8.045438
  C      -7.257613     -2.706075      5.753413
  C      -6.957909     -1.289760      5.354807
  C      -7.949020     -0.452291      4.830404
  C      -7.583873      0.845422      4.474647
  N      -6.346151      1.331831      4.570243
  C      -5.367086      0.530245      5.052815
  C      -5.662668     -0.788752      5.477689
  C      -7.012669     -4.444124      9.170294
  H     -10.680203      0.479771      6.446083
  H      -9.768371     -0.722648      7.416973
  H     -10.966586      0.356221      8.189882
  H      -7.788913     -0.109400      7.981458
  H      -5.640882     -0.156169      8.663499
  H      -3.568750      1.060864      9.368206
  H      -6.119337      7.021395      7.880153
  H      -7.426529      5.815342      7.851670
  H      -7.791664      4.976642      5.601699
  H      -6.838997      3.777505      3.624709
  H      -3.746656      5.626611      7.006001
  H      -7.678198      3.591280      8.186524
  H      -2.651766     -4.418088      7.984383
  H      -4.183949     -3.507874      7.940010
  H      -4.219486     -5.272873      7.801159
  H      -1.729881     -3.511988      6.197255
  H      -0.058069     -3.039234      4.743153
  H       0.669425     -2.524512      2.408734
  H      -2.724773     -2.031436     -0.862518
  H      -4.501795     -2.230436     -1.019352
  H      -6.048110     -0.862627      0.490811
  H      -6.280999      1.044264      2.089684
  H      -1.764189     -0.227347      0.525953
  H      -4.078279     -3.696359      3.303682
  H      -5.099854     -6.747690     13.769548
  H      -6.206224     -5.345105     13.653163
  H      -6.837728     -6.977942     14.013812
  H      -6.667975     -4.804207     11.620074
  H      -6.710061     -7.822848      9.440492
  H      -7.187702     -7.625544      6.985988
  H      -8.205753     -3.047000      5.303355
  H      -6.484584     -3.386243      5.362735
  H      -8.975596     -0.799377      4.708907
  H      -8.338782      1.540528      4.088574
  H      -4.879383     -1.444507      5.857699
  H      -6.968948     -3.525790      9.760120
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959280364346
  N      -2.728213      4.283744      4.725619
  Mo     -3.338047      2.539154      3.849566
  N      -4.088243      1.080742      5.074947
  C      -3.085285      0.306629      5.815111
  C      -1.897774      1.197371      6.121500
  N      -1.473496      1.923904      4.892927
  C      -0.698027      3.159636      5.231074
  C      -1.640564      4.267439      5.687173
  C      -0.684480      1.043236      3.979023
  C      -0.750003      1.603208      2.557661
  N      -2.130529      1.971269      2.289681
  H      -1.090248      5.224389      5.716318
  H      -2.011266      4.079570      6.712553
  H      -0.194925      3.481542      4.310487
  H       0.072089      2.930285      5.987325
  H      -0.370995      0.849822      1.848612
  H      -0.109360      2.492488      2.451981
  H      -1.154099      0.050079      3.989434
  H       0.350701      0.941014      4.352066
  H      -3.493229     -0.055406      6.774676
  H      -2.768026     -0.591075      5.248877
  H      -2.198392      1.954684      6.858510
  H      -1.054289      0.620167      6.541293
  C     -10.172665      0.272251      7.416121
  C      -9.149456      1.360199      7.670019
  O      -9.446319      2.555311      7.583356
  N      -7.907826      0.895625      8.026123
  C      -6.780066      1.636878      8.394603
  C      -5.611424      0.923601      8.721575
  C      -4.459943      1.596096      9.115839
  C      -4.473151      2.983260      9.200743
  F      -3.317045      3.611617      9.541443
  C      -5.612898      3.727442      8.877156
  C      -5.620580      5.225006      8.931601
  O      -5.048883      5.845334      9.816017
  C      -6.331014      5.939281      7.774970
  C      -5.839544      5.389944      6.460340
  C      -6.715090      4.890446      5.482780
  C      -6.200431      4.226903      4.375712
  N      -4.875492      4.085757      4.178499
  C      -4.011234      4.629209      5.097585
  C      -4.460497      5.266539      6.255531
  C      -6.760329      3.036361      8.459783
  C      -3.624220     -4.314520      7.576868
  C      -3.596354     -4.210981      6.065757
  O      -4.536782     -4.581549      5.364650
  N      -2.454073     -3.633362      5.558071
  C      -2.116554     -3.367865      4.216132
  C      -0.779463     -3.019525      3.950610
  C      -0.373182     -2.740293      2.649580
  C      -1.305964     -2.789310      1.622974
  F      -0.851565     -2.550188      0.358804
  C      -2.653179     -3.097504      1.846605
  C      -3.730419     -3.109544      0.798567
  O      -4.699324     -3.854262      0.925448
  C      -3.694112     -2.044821     -0.301492
  C      -3.888918     -0.732157      0.417158
  C      -5.177746     -0.324161      0.826292
  C      -5.316915      0.742422      1.701611
  N      -4.250044      1.416394      2.175927
  C      -3.004949      1.104159      1.688850
  C      -2.786712      0.023713      0.834327
  C      -3.037507     -3.408677      3.164358
  C      -6.144548     -6.457966     13.425180
  C      -6.309360     -6.807799     11.959668
  O      -6.182258     -7.960475     11.549460
  N      -6.613092     -5.735707     11.149230
  C      -6.841625     -5.709381      9.761234
  C      -6.904962     -6.869951      8.964901
  C      -7.157447     -6.748911      7.600183
  C      -7.328486     -5.497399      7.025033
  F      -7.616531     -5.454002      5.702547
  C      -7.244734     -4.314715      7.780746
  C      -7.329861     -2.929453      7.247990
  O      -7.421523     -1.982766      8.045377
  C      -7.245725     -2.707957      5.748611
  C      -6.947615     -1.290522      5.352348
  C      -7.943821     -0.450959      4.841074
  C      -7.582967      0.848524      4.487870
  N      -6.344784      1.335443      4.574741
  C      -5.361023      0.532319      5.044669
  C      -5.651403     -0.789367      5.465418
  C      -7.014468     -4.461621      9.160910
  H     -10.666618      0.467590      6.455580
  H      -9.745302     -0.737659      7.413912
  H     -10.941069      0.333829      8.200595
  H      -7.764739     -0.121926      7.974720
  H      -5.615321     -0.165703      8.655024
  H      -3.544701      1.054794      9.358347
  H      -6.116282      7.011746      7.885885
  H      -7.420011      5.802118      7.862628
  H      -7.794872      4.969789      5.610839
  H      -6.849244      3.776063      3.627292
  H      -3.744807      5.623461      6.997375
  H      -7.661528      3.578127      8.187528
  H      -2.625714     -4.309712      8.034268
  H      -4.194034     -3.462874      7.978862
  H      -4.157347     -5.229348      7.861028
  H      -1.719851     -3.435688      6.232116
  H      -0.050946     -2.987306      4.763896
  H       0.665409     -2.501262      2.419663
  H      -2.740947     -2.060320     -0.843862
  H      -4.518420     -2.262987     -0.991948
  H      -6.060779     -0.876314      0.504153
  H      -6.289607      1.045354      2.085947
  H      -1.777253     -0.238412      0.520107
  H      -4.075746     -3.670834      3.349384
  H      -5.161981     -6.815049     13.761560
  H      -6.233178     -5.385675     13.643166
  H      -6.905638     -7.002792     14.000959
  H      -6.674722     -4.832003     11.609374
  H      -6.762887     -7.845182      9.422271
  H      -7.229431     -7.633428      6.966871
  H      -8.197034     -3.046955      5.304252
  H      -6.476294     -3.388112      5.350788
  H      -8.971393     -0.797935      4.727859
  H      -8.341865      1.544812      4.111921
  H      -4.863443     -1.446019      5.834028
  H      -6.958214     -3.545696      9.753399
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7356.403873317237
  N      -2.732637      4.293117      4.713259
  Mo     -3.340662      2.547237      3.839973
  N      -4.088525      1.091856      5.069837
  C      -3.085073      0.320244      5.811917
  C      -1.898510      1.212962      6.115436
  N      -1.475975      1.936241      4.884326
  C      -0.700810      3.173117      5.219073
  C      -1.644090      4.280669      5.673615
  C      -0.686122      1.053404      3.973168
  C      -0.753344      1.608624      2.550244
  N      -2.134695      1.973638      2.282210
  H      -1.095176      5.238506      5.699959
  H      -2.013340      4.094796      6.699905
  H      -0.198486      3.493489      4.297500
  H       0.069964      2.945865      5.975236
  H      -0.373454      0.854554      1.842443
  H      -0.115224      2.499364      2.441468
  H      -1.154715      0.059883      3.987762
  H       0.349273      0.953434      4.346028
  H      -3.493317     -0.038833      6.772470
  H      -2.767556     -0.578748      5.248078
  H      -2.199657      1.971805      6.850624
  H      -1.053987      0.638024      6.536171
  C     -10.151855      0.252936      7.457373
  C      -9.131962      1.347256      7.697077
  O      -9.438363      2.540466      7.617905
  N      -7.882784      0.890264      8.036344
  C      -6.755390      1.637894      8.392733
  C      -5.578980      0.931379      8.706888
  C      -4.427730      1.610663      9.090086
  C      -4.448478      2.997689      9.176848
  F      -3.292921      3.632620      9.506634
  C      -5.595984      3.735204      8.865246
  C      -5.613171      5.232504      8.921214
  O      -5.035507      5.856441      9.799213
  C      -6.332629      5.942566      7.767538
  C      -5.843211      5.395369      6.451250
  C      -6.719797      4.894768      5.474739
  C      -6.205695      4.232788      4.366186
  N      -4.880804      4.094487      4.167407
  C      -4.016188      4.637620      5.085628
  C      -4.464471      5.274758      6.244061
  C      -6.743143      3.037334      8.458650
  C      -3.636597     -4.308656      7.605738
  C      -3.605982     -4.210861      6.094349
  O      -4.541817     -4.591281      5.392320
  N      -2.466192     -3.628141      5.587230
  C      -2.127018     -3.364832      4.245426
  C      -0.791450     -3.008157      3.982835
  C      -0.383176     -2.730515      2.682145
  C      -1.312744     -2.788038      1.653090
  F      -0.855756     -2.549315      0.389718
  C      -2.658851     -3.103463      1.873781
  C      -3.733123     -3.123088      0.822933
  O      -4.701170     -3.868809      0.950595
  C      -3.696300     -2.062210     -0.281057
  C      -3.891354     -0.745880      0.430833
  C      -5.180518     -0.334556      0.835951
  C      -5.320156      0.739066      1.702479
  N      -4.254197      1.418245      2.171553
  C      -3.009150      1.101706      1.687958
  C      -2.789872      0.013317      0.843773
  C      -3.044488     -3.414542      3.191118
  C      -6.163883     -6.488474     13.403853
  C      -6.327652     -6.832489     11.936807
  O      -6.205128     -7.984328     11.522829
  N      -6.624387     -5.756093     11.129564
  C      -6.850069     -5.723690      9.741074
  C      -6.918050     -6.881190      8.940660
  C      -7.167221     -6.753997      7.575815
  C      -7.330574     -5.499692      7.004627
  F      -7.614786     -5.450094      5.681494
  C      -7.241894     -4.319950      7.764468
  C      -7.319868     -2.932619      7.236442
  O      -7.400665     -1.987958      8.037438
  C      -7.239457     -2.705516      5.737390
  C      -6.943089     -1.286189      5.345605
  C      -7.941012     -0.447899      4.835627
  C      -7.583319      0.853053      4.484789
  N      -6.346199      1.342463      4.572055
  C      -5.360710      0.540908      5.040825
  C      -5.648026     -0.781889      5.460557
  C      -7.014763     -4.472938      9.144579
  H     -10.662968      0.446941      6.505639
  H      -9.717742     -0.754051      7.445804
  H     -10.907440      0.307386      8.254758
  H      -7.733828     -0.126026      7.981776
  H      -5.577058     -0.158043      8.640100
  H      -3.506858      1.074709      9.322986
  H      -6.122691      7.016140      7.876950
  H      -7.420581      5.800122      7.859428
  H      -7.799470      4.971818      5.605170
  H      -6.854300      3.780941      3.618275
  H      -3.748204      5.631978      6.985267
  H      -7.650554      3.573826      8.196978
  H      -2.639147     -4.294965      8.065259
  H      -4.213657     -3.459417      8.002989
  H      -4.163472     -5.226306      7.892134
  H      -1.734422     -3.424472      6.262166
  H      -0.065500     -2.968827      4.798100
  H       0.654532     -2.485710      2.454347
  H      -2.742685     -2.080254     -0.822505
  H      -4.519936     -2.282628     -0.971582
  H      -6.063510     -0.889147      0.517959
  H      -6.293283      1.044707      2.083580
  H      -1.779846     -0.250598      0.532904
  H      -4.081527     -3.682798      3.373585
  H      -5.183499     -6.851053     13.740749
  H      -6.248158     -5.416560     13.625352
  H      -6.928409     -7.031864     13.976413
  H      -6.681911     -4.853635     11.592789
  H      -6.781831     -7.858744      9.394843
  H      -7.242114     -7.635896      6.939190
  H      -8.190674     -3.044166      5.292930
  H      -6.469529     -3.383300      5.336542
  H      -8.967695     -0.797189      4.721431
  H      -8.343761      1.548292      4.110014
  H      -4.858679     -1.436830      5.828799
  H      -6.954356     -3.559293      9.740174
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959262389310
  N      -2.732501      4.292922      4.714461
  Mo     -3.340611      2.547442      3.840762
  N      -4.089005      1.092275      5.070342
  C      -3.085967      0.320553      5.812876
  C      -1.899424      1.213122      6.116670
  N      -1.476565      1.936151      4.885552
  C      -0.701052      3.172736      5.220557
  C      -1.644203      4.280302      5.675014
  C      -0.686526      1.053091      3.974762
  C      -0.753161      1.608200      2.551847
  N      -2.134396      1.973518      2.283577
  H      -1.095205      5.238086      5.701574
  H      -2.013673      4.094400      6.701237
  H      -0.198387      3.493072      4.299146
  H       0.069459      2.945181      5.976870
  H      -0.373401      0.854144      1.843972
  H      -0.115025      2.498947      2.443083
  H      -1.155521      0.059800      3.989375
  H       0.348669      0.952754      4.348015
  H      -3.494691     -0.038178      6.773299
  H      -2.768528     -0.578539      5.249240
  H      -2.200701      1.972026      6.851747
  H      -1.055048      0.638157      6.537637
  C     -10.151424      0.253701      7.456322
  C      -9.131395      1.347743      7.696672
  O      -9.437735      2.541026      7.618312
  N      -7.882395      0.890333      8.036023
  C      -6.754823      1.637448      8.392785
  C      -5.578554      0.930469      8.706685
  C      -4.426978      1.609411      9.089573
  C      -4.447294      2.996470      9.176656
  F      -3.291530      3.631002      9.506323
  C      -5.594816      3.734333      8.865724
  C      -5.612349      5.231543      8.922578
  O      -5.033397      5.855351      9.799824
  C      -6.331951      5.941895      7.769153
  C      -5.843000      5.395032      6.452587
  C      -6.719790      4.895042      5.475766
  C      -6.205781      4.233489      4.366823
  N      -4.880889      4.095154      4.168206
  C      -4.016194      4.637480      5.086672
  C      -4.464380      5.274236      6.245344
  C      -6.742129      3.036810      8.459098
  C      -3.642669     -4.312269      7.603570
  C      -3.610241     -4.215082      6.092170
  O      -4.544508     -4.597307      5.389013
  N      -2.470550     -3.631168      5.586298
  C      -2.130230     -3.366904      4.245029
  C      -0.794834     -3.008062      3.984281
  C      -0.385373     -2.729110      2.684264
  C      -1.313669     -2.787036      1.654073
  F      -0.855435     -2.546399      0.391494
  C      -2.659639     -3.104321      1.872966
  C      -3.732778     -3.123872      0.820971
  O      -4.700672     -3.870021      0.947088
  C      -3.695676     -2.061465     -0.281637
  C      -3.890864     -0.745738      0.431373
  C      -5.180086     -0.334138      0.836137
  C      -5.319698      0.739471      1.702720
  N      -4.253870      1.418614      2.172163
  C      -3.008842      1.101732      1.689037
  C      -2.789464      0.013146      0.845167
  C      -3.046258     -3.417238      3.189532
  C      -6.159690     -6.482526     13.404180
  C      -6.322748     -6.827778     11.937339
  O      -6.197340     -7.979530     11.523962
  N      -6.622044     -5.752533     11.129528
  C      -6.847865     -5.721465      9.740964
  C      -6.913893     -6.879686      8.941429
  C      -7.163699     -6.753941      7.576530
  C      -7.329362     -5.500399      7.004386
  F      -7.614581     -5.452318      5.681413
  C      -7.242277     -4.319847      7.763242
  C      -7.322280     -2.933093      7.234069
  O      -7.404027     -1.987931      8.034379
  C      -7.239832     -2.706503      5.734881
  C      -6.943198     -1.286994      5.343322
  C      -7.940648     -0.449287      4.831592
  C      -7.583215      0.851939      4.481529
  N      -6.346489      1.342030      4.570549
  C      -5.361234      0.540975      5.040681
  C      -5.648520     -0.781882      5.460430
  C      -7.014699     -4.471428      9.143478
  H     -10.662302      0.448269      6.504585
  H      -9.717432     -0.753352      7.444265
  H     -10.907062      0.307802      8.253698
  H      -7.733613     -0.125831      7.981090
  H      -5.577127     -0.159042      8.640049
  H      -3.506210      1.073147      9.322179
  H      -6.121717      7.015404      7.878670
  H      -7.419916      5.799749      7.861329
  H      -7.799445      4.972207      5.606311
  H      -6.854252      3.782018      3.618599
  H      -3.748061      5.630962      6.986779
  H      -7.649480      3.573613      8.198011
  H      -2.645751     -4.296848      8.064189
  H      -4.221688     -3.463726      7.999801
  H      -4.168256     -5.230728      7.889673
  H      -1.739723     -3.426804      6.262052
  H      -0.069909     -2.968193      4.800435
  H       0.652257     -2.482704      2.457852
  H      -2.741814     -2.078898     -0.822639
  H      -4.518939     -2.280970     -0.972893
  H      -6.063153     -0.888402      0.517799
  H      -6.292907      1.045310      2.083478
  H      -1.779290     -0.250734      0.534719
  H      -4.083147     -3.686810      3.370515
  H      -5.178321     -6.842348     13.741189
  H      -6.246733     -5.410713     13.625062
  H      -6.922731     -7.027574     13.977135
  H      -6.681519     -4.849922     11.592270
  H      -6.775843     -7.856672      9.396277
  H      -7.237323     -7.636466      6.940620
  H      -8.190061     -3.045863      5.288912
  H      -6.468310     -3.384226      5.335842
  H      -8.966976     -0.799099      4.715872
  H      -8.343594      1.546829      4.105975
  H      -4.859382     -1.436216      5.829950
  H      -6.955614     -3.557190      9.738302
119
Coordinates from ORCA-job /scratch/magstr/orcajob__5677984-9Wdm/orca E -7358.959144605263
  N      -2.720306      4.268319      4.737619
  Mo     -3.332386      2.524741      3.859250
  N      -4.089463      1.065610      5.079688
  C      -3.088659      0.287068      5.818441
  C      -1.898812      1.173797      6.129099
  N      -1.469510      1.903446      4.904023
  C      -0.693233      3.137669      5.245836
  C      -1.634301      4.247470      5.701537
  C      -0.681456      1.023837      3.988303
  C      -0.742974      1.587601      2.567832
  N      -2.121822      1.960863      2.298182
  H      -1.081430      5.202858      5.733085
  H      -2.007751      4.058901      6.725692
  H      -0.188269      3.459761      4.326388
  H       0.075339      2.906116      6.003128
  H      -0.365953      0.832364      1.859630
  H      -0.096993      2.473220      2.464616
  H      -1.152698      0.031235      3.993774
  H       0.353099      0.919030      4.362797
  H      -3.496981     -0.078160      6.776676
  H      -2.772344     -0.609680      5.249694
  H      -2.198532      1.930109      6.867496
  H      -1.058124      0.592568      6.549120
  C     -10.211632      0.295842      7.389140
  C      -9.184253      1.376448      7.657031
  O      -9.471227      2.573727      7.567067
  N      -7.948186      0.903023      8.020616
  C      -6.818189      1.636565      8.398065
  C      -5.658147      0.914795      8.735667
  C      -4.505730      1.578302      9.142065
  C      -4.509076      2.965435      9.225284
  F      -3.351203      3.585346      9.576268
  C      -5.638925      3.718346      8.888641
  C      -5.631221      5.216487      8.937736
  O      -5.075710      5.832347      9.835416
  C      -6.328950      5.935949      7.776479
  C      -5.833325      5.384266      6.464361
  C      -6.706431      4.886896      5.484767
  C      -6.190392      4.219679      4.381226
  N      -4.865535      4.071315      4.187830
  C      -4.002254      4.616766      5.107781
  C      -4.453572      5.256190      6.263849
  C      -6.788662      3.036257      8.462381
  C      -3.597155     -4.270877      7.562347
  C      -3.574016     -4.178497      6.050271
  O      -4.525868     -4.532831      5.356422
  N      -2.425697     -3.621028      5.533121
  C      -2.093456     -3.367050      4.187351
  C      -0.752267     -3.046497      3.908872
  C      -0.352120     -2.779274      2.603283
  C      -1.294459     -2.814851      1.584927
  F      -0.847008     -2.591775      0.315426
  C      -2.645217     -3.096786      1.821230
  C      -3.731528     -3.094595      0.782525
  O      -4.705421     -3.831912      0.915066
  C      -3.692075     -2.032783     -0.320077
  C      -3.884859     -0.720320      0.399426
  C      -5.173057     -0.313879      0.811488
  C      -5.311157      0.744824      1.696477
  N      -4.242118      1.409846      2.178170
  C      -2.996683      1.101179      1.687945
  C      -2.780777      0.031150      0.819880
  C      -3.024623     -3.393871      3.143955
  C      -6.115635     -6.442166     13.434334
  C      -6.282226     -6.792554     11.969222
  O      -6.148291     -7.944154     11.558258
  N      -6.597568     -5.722681     11.160162
  C      -6.830485     -5.697712      9.773265
  C      -6.880927     -6.857844      8.975394
  C      -7.134971     -6.738003      7.611064
  C      -7.320738     -5.487647      7.037879
  F      -7.607737     -5.445773      5.715209
  C      -7.252338     -4.305442      7.795655
  C      -7.347548     -2.920419      7.263866
  O      -7.457894     -1.975151      8.060710
  C      -7.263870     -2.700976      5.764725
  C      -6.962251     -1.286057      5.365153
  C      -7.954929     -0.441068      4.855642
  C      -7.586025      0.855055      4.498018
  N      -6.344320      1.334016      4.580753
  C      -5.364691      0.525083      5.049512
  C      -5.662752     -0.793877      5.472042
  C      -7.020272     -4.451464      9.175439
  H     -10.693137      0.496472      6.423266
  H      -9.791120     -0.716861      7.389915
  H     -10.988974      0.361405      8.164312
  H      -7.812120     -0.116168      7.969673
  H      -5.668888     -0.174101      8.666894
  H      -3.597022      1.030130      9.393502
  H      -6.108864      7.007068      7.889911
  H      -7.419253      5.804964      7.857862
  H      -7.786427      4.970949      5.607700
  H      -6.839507      3.770814      3.631634
  H      -3.739219      5.612907      7.006862
  H      -7.682354      3.584925      8.178792
  H      -2.596920     -4.276032      8.015919
  H      -4.153266     -3.409114      7.960441
  H      -4.142241     -5.176033      7.855959
  H      -1.685341     -3.428896      6.201993
  H      -0.016337     -3.025366      4.715810
  H       0.688923     -2.561235      2.363721
  H      -2.739348     -2.050597     -0.863280
  H      -4.517553     -2.251268     -1.009055
  H      -6.056381     -0.862494      0.484038
  H      -6.283017      1.046209      2.083964
  H      -1.772477     -0.230832      0.502009
  H      -4.066394     -3.635311      3.339666
  H      -5.129206     -6.791631     13.767355
  H      -6.212032     -5.370719     13.653294
  H      -6.870500     -6.993439     14.012189
  H      -6.665787     -4.819811     11.620569
  H      -6.726695     -7.831918      9.431278
  H      -7.196286     -7.622356      6.976421
  H      -8.217098     -3.038279      5.322556
  H      -6.496785     -3.384536      5.366647
  H      -8.985139     -0.781434      4.745947
  H      -8.340988      1.555026      4.121020
  H      -4.877532     -1.455856      5.838176
  H      -6.974118     -3.535895      9.769339
