122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.871330298572
  N      -3.155011      4.107296      5.010827
  Mo     -3.764868      2.940609      3.435257
  N      -4.294588      1.183645      4.508573
  C      -3.153562      0.440282      4.985436
  C      -2.020055      1.387752      5.367223
  N      -1.653297      2.274899      4.259147
  C      -0.915860      3.441333      4.762027
  C      -1.865910      4.315371      5.597505
  C      -0.868688      1.561568      3.245165
  C      -1.493412      1.849942      1.872294
  N      -2.919719      1.662027      1.937574
  H      -1.560804      5.370601      5.531410
  H      -1.845439      4.030735      6.661911
  H      -0.579953      4.015108      3.894456
  H      -0.043275      3.128846      5.351761
  H      -1.024943      1.229203      1.096059
  H      -1.315334      2.899873      1.617958
  H      -0.915490      0.488217      3.442567
  H       0.183520      1.863663      3.266917
  H      -3.404376     -0.131943      5.894285
  H      -2.815901     -0.294183      4.235056
  H      -2.386988      1.993099      6.198679
  H      -1.149440      0.809957      5.710852
  C     -13.053282      4.026501      9.648652
  C     -11.563294      4.150585      9.453089
  O     -10.968445      5.207194      9.459752
  N     -10.955006      2.935529      9.259942
  C      -9.606998      2.664583      9.034605
  C      -9.247495      1.383619      8.608311
  C      -7.925919      1.068809      8.361024
  C      -6.958354      2.035522      8.560608
  F      -5.664646      1.732348      8.277857
  C      -7.278559      3.317136      8.999068
  C      -6.204845      4.324436      9.238619
  O      -5.224537      4.082021      9.906701
  C      -6.378263      5.622317      8.473142
  C      -5.984286      5.202675      7.082363
  C      -6.954010      4.847721      6.134763
  C      -6.552188      4.307131      4.928863
  N      -5.277436      4.109131      4.622531
  C      -4.325697      4.460396      5.525123
  C      -4.648722      5.030607      6.765850
  C      -8.614702      3.621613      9.229597
  C       3.423023     -2.417731      6.868962
  C       2.248444     -2.555663      5.933003
  O       1.407212     -1.692297      5.779064
  N       2.245076     -3.754932      5.270749
  C       1.338342     -4.225858      4.323427
  C       1.670636     -5.365812      3.584683
  C       0.804294     -5.856338      2.626505
  C      -0.387520     -5.199746      2.382917
  F      -1.219069     -5.707120      1.443317
  C      -0.758082     -4.069424      3.110002
  C      -2.013505     -3.314491      2.907982
  O      -2.555334     -2.739142      3.837559
  C      -2.547493     -3.221013      1.488201
  C      -3.336187     -1.948458      1.360487
  C      -4.722677     -1.948862      1.185864
  C      -5.365894     -0.729361      1.204504
  N      -4.766064      0.427966      1.423659
  C      -3.429506      0.456613      1.638143
  C      -2.685973     -0.746158      1.530602
  C       0.115406     -3.608237      4.095336
  C      -8.671823     -6.628536     12.645223
  C      -8.376887     -7.019171     11.218557
  O      -8.316151     -8.165730     10.832890
  N      -8.186896     -5.927307     10.406694
  C      -7.901587     -5.886847      9.045934
  C      -7.791289     -7.034685      8.256543
  C      -7.508237     -6.916044      6.909594
  C      -7.333811     -5.670108      6.337097
  F      -7.060192     -5.635983      5.009696
  C      -7.436980     -4.497377      7.089792
  C      -7.275753     -3.114094      6.584072
  O      -7.398157     -2.162503      7.336988
  C      -6.959575     -2.925250      5.114109
  C      -6.817498     -1.468467      4.780770
  C      -7.953357     -0.687506      4.525932
  C      -7.748393      0.634333      4.206223
  N      -6.566368      1.228441      4.174514
  C      -5.448927      0.520243      4.476970
  C      -5.582150     -0.873411      4.755331
  C      -7.723833     -4.643172      8.450149
  H     -13.511533      3.575457      8.771063
  H     -13.266278      3.403792     10.514695
  H     -13.476019      5.014570      9.804578
  H     -11.563375      2.126742      9.209868
  H     -10.004074      0.627490      8.462483
  H      -7.639501      0.087468      8.016161
  H      -5.698233      6.375079      8.869965
  H      -7.407913      5.969932      8.500244
  H      -8.001691      4.982521      6.348482
  H      -7.286842      4.019931      4.187572
  H      -3.876420      5.270322      7.480389
  H      -8.889091      4.601182      9.583735
  H       4.355099     -2.463886      6.309816
  H       3.362056     -1.462325      7.381749
  H       3.413872     -3.220376      7.603022
  H       3.037523     -4.364873      5.438848
  H       2.607260     -5.871605      3.761940
  H       1.043898     -6.740585      2.058177
  H      -1.715947     -3.244666      0.781321
  H      -3.180951     -4.091130      1.298586
  H      -5.272768     -2.867006      1.056738
  H      -6.438590     -0.663947      1.051236
  H      -1.614430     -0.750323      1.668065
  H      -0.174683     -2.743071      4.668270
  H      -8.815444     -7.526710     13.238683
  H      -7.843966     -6.054864     13.056754
  H      -9.573866     -6.021773     12.688408
  H      -8.249890     -5.017804     10.849313
  H      -7.926069     -8.006439      8.701170
  H      -7.419810     -7.791677      6.286488
  H      -7.761025     -3.377731      4.524533
  H      -6.031723     -3.456753      4.887341
  H      -8.944167     -1.112225      4.556633
  H      -8.586214      1.279175      3.954991
  H      -4.707189     -1.488702      4.903396
  H      -7.802291     -3.735307      9.031644
  N      -3.728576      4.582609      2.079005
  H      -4.473003      5.278110      1.957417
  H      -2.963674      4.813554      1.435371
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.890124920263
  N      -3.110689      4.150156      4.991520
  Mo     -3.749227      2.976719      3.433015
  N      -4.274964      1.237778      4.533324
  C      -3.131866      0.467214      4.998243
  C      -1.985570      1.397544      5.362345
  N      -1.626277      2.282607      4.233139
  C      -0.873730      3.459417      4.714897
  C      -1.807523      4.342922      5.556704
  C      -0.864696      1.550661      3.194984
  C      -1.510771      1.848837      1.836770
  N      -2.946082      1.679990      1.934745
  H      -1.489449      5.396982      5.480514
  H      -1.774924      4.064281      6.625636
  H      -0.544043      4.023722      3.832763
  H       0.010363      3.143787      5.292660
  H      -1.065125      1.218461      1.049604
  H      -1.312790      2.900844      1.572445
  H      -0.921617      0.473634      3.400003
  H       0.196689      1.840606      3.202811
  H      -3.378073     -0.099996      5.913146
  H      -2.815185     -0.278962      4.245467
  H      -2.327951      2.017408      6.199320
  H      -1.110419      0.812414      5.694211
  C     -13.069729      3.832139      9.401718
  C     -11.571182      4.031947      9.277819
  O     -11.033376      5.131918      9.312597
  N     -10.885127      2.844749      9.121070
  C      -9.506573      2.630122      8.959350
  C      -9.082124      1.353905      8.556763
  C      -7.734085      1.076951      8.371251
  C      -6.805341      2.078240      8.609369
  F      -5.493369      1.812671      8.385119
  C      -7.187474      3.358289      9.018909
  C      -6.153617      4.413873      9.274456
  O      -5.178145      4.209745      9.975931
  C      -6.336135      5.702043      8.472601
  C      -5.938127      5.282268      7.074692
  C      -6.921655      4.911212      6.135915
  C      -6.532662      4.350308      4.928431
  N      -5.250360      4.157341      4.617967
  C      -4.284482      4.524906      5.513581
  C      -4.594419      5.112548      6.752014
  C      -8.549078      3.626315      9.187216
  C       3.424840     -2.400972      6.917929
  C       2.235211     -2.539591      5.987311
  O       1.382727     -1.670045      5.852511
  N       2.223938     -3.741896      5.310122
  C       1.304917     -4.217939      4.362192
  C       1.651354     -5.356708      3.615839
  C       0.785445     -5.863170      2.655834
  C      -0.422755     -5.223038      2.419052
  F      -1.249992     -5.746337      1.478815
  C      -0.810722     -4.097494      3.153079
  C      -2.088242     -3.351802      2.963949
  O      -2.617768     -2.795330      3.916221
  C      -2.653469     -3.233718      1.546240
  C      -3.436777     -1.951556      1.414532
  C      -4.828954     -1.938008      1.266221
  C      -5.464276     -0.700575      1.286791
  N      -4.842053      0.460392      1.477351
  C      -3.493283      0.468604      1.652335
  C      -2.766072     -0.745808      1.552421
  C       0.063660     -3.617436      4.138271
  C      -8.586004     -6.778440     12.667158
  C      -8.342461     -7.142945     11.214994
  O      -8.312725     -8.295599     10.805105
  N      -8.160011     -6.034461     10.410779
  C      -7.914646     -5.964738      9.032548
  C      -7.841937     -7.095104      8.199576
  C      -7.596008     -6.933594      6.842553
  C      -7.422498     -5.666100      6.304114
  F      -7.186696     -5.594342      4.968783
  C      -7.489066     -4.511506      7.098769
  C      -7.323407     -3.096849      6.638172
  O      -7.416504     -2.182440      7.447570
  C      -7.038237     -2.831624      5.163900
  C      -6.877809     -1.366004      4.854365
  C      -8.001971     -0.553507      4.628526
  C      -7.771111      0.777174      4.304724
  N      -6.568134      1.345606      4.247440
  C      -5.466255      0.597215      4.527450
  C      -5.620432     -0.796055      4.802664
  C      -7.738202     -4.701402      8.466396
  H     -13.468814      3.352340      8.498429
  H     -13.300382      3.194902     10.265237
  H     -13.550773      4.804833      9.533367
  H     -11.454210      2.005867      9.048288
  H      -9.815213      0.566648      8.376947
  H      -7.398961      0.096132      8.037603
  H      -5.670343      6.474945      8.872733
  H      -7.378487      6.038294      8.486083
  H      -7.977517      5.042484      6.361801
  H      -7.273036      4.038940      4.192398
  H      -3.809220      5.357554      7.465479
  H      -8.872072      4.610168      9.511345
  H       4.362605     -2.438630      6.348073
  H       3.361712     -1.443018      7.440373
  H       3.431933     -3.214666      7.654642
  H       3.023502     -4.349401      5.467756
  H       2.607385     -5.851845      3.788717
  H       1.039924     -6.751283      2.080000
  H      -1.829062     -3.266963      0.821111
  H      -3.294477     -4.108097      1.361785
  H      -5.396523     -2.861087      1.157750
  H      -6.547205     -0.628807      1.150729
  H      -1.682813     -0.758664      1.674772
  H      -0.240322     -2.748285      4.713876
  H      -8.724201     -7.694293     13.247635
  H      -7.731213     -6.220374     13.071065
  H      -9.483896     -6.153552     12.759453
  H      -8.196003     -5.131800     10.877125
  H      -7.976444     -8.086173      8.620106
  H      -7.536051     -7.797415      6.182562
  H      -7.860900     -3.261252      4.574399
  H      -6.122883     -3.376492      4.891458
  H      -9.012919     -0.957871      4.681451
  H      -8.608883      1.444803      4.074393
  H      -4.746801     -1.437109      4.921815
  H      -7.787655     -3.803196      9.083596
  N      -3.747927      4.565186      2.077262
  H      -4.490075      5.257303      1.975442
  H      -3.012766      4.771193      1.398904
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.897302560010
  N      -3.089392      4.191496      5.007441
  Mo     -3.746988      3.014418      3.462151
  N      -4.266492      1.291346      4.589265
  C      -3.129459      0.493683      5.040565
  C      -1.971010      1.406526      5.390443
  N      -1.619863      2.288825      4.246297
  C      -0.857365      3.472872      4.709665
  C      -1.776322      4.364642      5.556673
  C      -0.881398      1.541812      3.191038
  C      -1.542095      1.847246      1.843960
  N      -2.981494      1.701981      1.966040
  H      -1.443084      5.415175      5.475654
  H      -1.736011      4.089213      6.627445
  H      -0.532648      4.025157      3.816215
  H       0.034781      3.154796      5.275998
  H      -1.117998      1.207669      1.050136
  H      -1.324268      2.895209      1.568862
  H      -0.950036      0.466237      3.407019
  H       0.185585      1.818833      3.192521
  H      -3.375370     -0.072476      5.956542
  H      -2.835495     -0.259041      4.283991
  H      -2.287049      2.039622      6.229692
  H      -1.092344      0.816737      5.708230
  C     -13.027488      3.648261      9.008844
  C     -11.527647      3.894785      8.993463
  O     -11.029516      5.017204      9.078764
  N     -10.788057      2.735623      8.877007
  C      -9.391139      2.576673      8.807086
  C      -8.893402      1.316472      8.429594
  C      -7.523971      1.086990      8.334958
  C      -6.649982      2.123052      8.638264
  F      -5.319084      1.904782      8.502187
  C      -7.106835      3.391548      9.016533
  C      -6.130411      4.495887      9.307540
  O      -5.174980      4.335553     10.052799
  C      -6.322461      5.773987      8.482820
  C      -5.914844      5.359803      7.083959
  C      -6.903626      4.976040      6.151944
  C      -6.522500      4.396209      4.947959
  N      -5.235767      4.207235      4.638693
  C      -4.264414      4.588889      5.529909
  C      -4.565859      5.192221      6.762556
  C      -8.488786      3.611518      9.093542
  C       3.394979     -2.447856      6.920672
  C       2.194640     -2.581823      5.998961
  O       1.333076     -1.711948      5.886510
  N       2.174681     -3.776024      5.302846
  C       1.241184     -4.236147      4.356902
  C       1.583790     -5.365388      3.589102
  C       0.709011     -5.862505      2.628146
  C      -0.505308     -5.219999      2.415665
  F      -1.341931     -5.728634      1.472560
  C      -0.890107     -4.107467      3.171362
  C      -2.179137     -3.361120      3.005758
  O      -2.694792     -2.825024      3.978544
  C      -2.771254     -3.221453      1.598686
  C      -3.542329     -1.931384      1.476449
  C      -4.936722     -1.897464      1.357693
  C      -5.557223     -0.645059      1.386445
  N      -4.914463      0.512079      1.556816
  C      -3.560243      0.492430      1.696267
  C      -2.850406     -0.729708      1.593799
  C      -0.005658     -3.632913      4.154314
  C      -8.487172     -6.941235     12.684232
  C      -8.273839     -7.248306     11.211539
  O      -8.255584     -8.391085     10.757419
  N      -8.104918     -6.114468     10.439683
  C      -7.885993     -6.004125      9.056073
  C      -7.830044     -7.112449      8.187266
  C      -7.608792     -6.907080      6.828507
  C      -7.444572     -5.619942      6.328027
  F      -7.232721     -5.500688      4.990916
  C      -7.495621     -4.489502      7.159106
  C      -7.334784     -3.054699      6.735309
  O      -7.415543     -2.167648      7.579636
  C      -7.072592     -2.743375      5.265464
  C      -6.907920     -1.276282      4.969662
  C      -8.024018     -0.449332      4.758790
  C      -7.781275      0.883562      4.422183
  N      -6.569566      1.438348      4.340901
  C      -5.480669      0.667614      4.610852
  C      -5.639124     -0.719878      4.895118
  C      -7.719254     -4.722179      8.525821
  H     -13.351511      3.164203      8.074262
  H     -13.304591      2.992537      9.848770
  H     -13.544979      4.607609      9.114438
  H     -11.320270      1.876834      8.762269
  H      -9.587138      0.503941      8.194125
  H      -7.133148      0.118603      8.014396
  H      -5.678658      6.562626      8.893553
  H      -7.373829      6.093035      8.480560
  H      -7.961658      5.103823      6.383966
  H      -7.259817      4.062342      4.217329
  H      -3.776315      5.439133      7.474733
  H      -8.871750      4.588454      9.382252
  H       4.332431     -2.473461      6.343137
  H       3.328709     -1.494485      7.455123
  H       3.418797     -3.271836      7.650483
  H       2.976902     -4.384909      5.443357
  H       2.546967     -5.859800      3.744831
  H       0.961431     -6.743349      2.034981
  H      -1.957491     -3.265242      0.858221
  H      -3.419920     -4.095070      1.419511
  H      -5.521370     -2.815391      1.265338
  H      -6.643811     -0.564060      1.271364
  H      -1.762671     -0.754322      1.699033
  H      -0.304850     -2.767414      4.743198
  H      -8.614835     -7.882539     13.229070
  H      -7.622946     -6.398106     13.097277
  H      -9.383235     -6.316996     12.825093
  H      -8.130420     -5.227405     10.936887
  H      -7.957789     -8.117847      8.582819
  H      -7.561288     -7.751567      6.138350
  H      -7.905155     -3.167366      4.679912
  H      -6.167063     -3.295323      4.963880
  H      -9.042817     -0.839856      4.830734
  H      -8.619988      1.557357      4.203197
  H      -4.766823     -1.370291      4.997823
  H      -7.756022     -3.840667      9.172636
  N      -3.794224      4.536606      2.110517
  H      -4.539368      5.227178      2.033757
  H      -3.099042      4.711160      1.384150
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.901383838915
  N      -3.082680      4.226082      5.045568
  Mo     -3.753016      3.052434      3.506208
  N      -4.263302      1.334259      4.650430
  C      -3.131376      0.515931      5.082634
  C      -1.962920      1.415268      5.423194
  N      -1.623793      2.300327      4.273659
  C      -0.856980      3.488152      4.725906
  C      -1.762955      4.381502      5.582781
  C      -0.904528      1.549925      3.203226
  C      -1.577551      1.863534      1.865615
  N      -3.016881      1.734923      2.006165
  H      -1.417457      5.428847      5.504689
  H      -1.715270      4.102285      6.652569
  H      -0.539486      4.034152      3.825848
  H       0.042685      3.169000      5.280153
  H      -1.169863      1.220769      1.065202
  H      -1.347051      2.907640      1.584875
  H      -0.979994      0.476052      3.423970
  H       0.164938      1.818802      3.201496
  H      -3.373995     -0.056135      5.995468
  H      -2.856643     -0.235346      4.317304
  H      -2.256195      2.053113      6.267021
  H      -1.079453      0.823165      5.723014
  C     -12.914827      3.352692      8.571744
  C     -11.430659      3.662497      8.675818
  O     -10.994287      4.806708      8.818778
  N     -10.629610      2.543979      8.597579
  C      -9.223999      2.455490      8.628899
  C      -8.640817      1.225908      8.272655
  C      -7.259171      1.060210      8.277073
  C      -6.460022      2.132683      8.657402
  F      -5.114630      1.977287      8.619831
  C      -7.003631      3.375578      9.010010
  C      -6.103401      4.530074      9.350220
  O      -5.172870      4.415405     10.135679
  C      -6.319041      5.803191      8.520779
  C      -5.903129      5.406750      7.120270
  C      -6.893322      5.017656      6.192379
  C      -6.517455      4.430813      4.990129
  N      -5.229061      4.247703      4.680798
  C      -4.256642      4.637612      5.568627
  C      -4.551558      5.246476      6.798731
  C      -8.397246      3.529827      8.988380
  C       3.359123     -2.499361      6.898485
  C       2.150537     -2.620325      5.986910
  O       1.287361     -1.748054      5.897981
  N       2.120070     -3.802134      5.270991
  C       1.174662     -4.241900      4.326565
  C       1.511433     -5.357962      3.536243
  C       0.628883     -5.841270      2.574950
  C      -0.588322     -5.195496      2.387676
  F      -1.435409     -5.687902      1.443903
  C      -0.967486     -4.097935      3.165915
  C      -2.264571     -3.353311      3.026096
  O      -2.768385     -2.837247      4.015706
  C      -2.875411     -3.189502      1.630967
  C      -3.633256     -1.892049      1.527505
  C      -5.028237     -1.838919      1.437852
  C      -5.633539     -0.577157      1.480949
  N      -4.974185      0.573103      1.637370
  C      -3.617551      0.530449      1.744313
  C      -2.923128     -0.697288      1.631710
  C      -0.074383     -3.634958      4.147349
  C      -8.443070     -6.962647     12.730283
  C      -8.258586     -7.245970     11.249737
  O      -8.261765     -8.384116     10.778903
  N      -8.089763     -6.105574     10.490391
  C      -7.892120     -5.980991      9.103756
  C      -7.860050     -7.079758      8.220797
  C      -7.658124     -6.857447      6.860956
  C      -7.490543     -5.564398      6.376280
  F      -7.298763     -5.426580      5.037525
  C      -7.518689     -4.444528      7.222359
  C      -7.351753     -3.001926      6.815849
  O      -7.414731     -2.128557      7.677482
  C      -7.107531     -2.666645      5.351453
  C      -6.933825     -1.200310      5.073271
  C      -8.040382     -0.359190      4.880798
  C      -7.786311      0.972634      4.541519
  N      -6.569285      1.512315      4.440298
  C      -5.490665      0.723945      4.695914
  C      -5.656581     -0.659592      4.981050
  C      -7.722488     -4.693331      8.588846
  H     -13.148375      2.873486      7.607733
  H     -13.229536      2.668239      9.375147
  H     -13.477955      4.288372      8.653652
  H     -11.109792      1.663104      8.431485
  H      -9.276532      0.387580      7.972187
  H      -6.805889      0.114618      7.968203
  H      -5.702147      6.605608      8.945830
  H      -7.378679      6.096914      8.511679
  H      -7.951020      5.139542      6.429715
  H      -7.250153      4.081983      4.262834
  H      -3.760611      5.491445      7.509872
  H      -8.848419      4.485548      9.247094
  H       4.293081     -2.515820      6.314397
  H       3.294606     -1.553665      7.446655
  H       3.393840     -3.333744      7.616381
  H       2.922564     -4.414446      5.393813
  H       2.477485     -5.852195      3.674301
  H       0.876890     -6.711695      1.964893
  H      -2.072486     -3.239445      0.878638
  H      -3.531325     -4.058451      1.451836
  H      -5.627245     -2.748707      1.356932
  H      -6.721614     -0.487479      1.389067
  H      -1.834312     -0.733361      1.718372
  H      -0.367160     -2.778828      4.752379
  H      -8.571830     -7.913201     13.258498
  H      -7.567203     -6.435567     13.140435
  H      -9.328512     -6.330142     12.900597
  H      -8.097801     -5.225403     11.000064
  H      -7.990702     -8.088059      8.607348
  H      -7.628902     -7.692783      6.158678
  H      -7.949184     -3.081951      4.771257
  H      -6.215446     -3.228031      5.026154
  H      -9.063596     -0.734711      4.967937
  H      -8.623096      1.653410      4.337843
  H      -4.791082     -1.320058      5.065829
  H      -7.741329     -3.819924      9.247622
  N      -3.861539      4.518205      2.160627
  H      -4.611921      5.206507      2.114124
  H      -3.215461      4.664462      1.383803
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.904443424462
  N      -3.089981      4.256135      5.061172
  Mo     -3.754303      3.084963      3.520203
  N      -4.268522      1.365356      4.672471
  C      -3.145563      0.537762      5.106273
  C      -1.972773      1.429051      5.449573
  N      -1.632503      2.313097      4.298952
  C      -0.868403      3.504193      4.747707
  C      -1.771732      4.398610      5.603495
  C      -0.915907      1.561555      3.227033
  C      -1.582327      1.880222      1.888092
  N      -3.021999      1.764075      2.023654
  H      -1.415410      5.443048      5.533638
  H      -1.729251      4.114583      6.672239
  H      -0.549463      4.044559      3.845045
  H       0.032395      3.187325      5.301530
  H      -1.176783      1.235190      1.088309
  H      -1.339316      2.920745      1.605828
  H      -0.998185      0.489068      3.449721
  H       0.154718      1.824883      3.235309
  H      -3.397284     -0.035800      6.016153
  H      -2.874207     -0.213329      4.339451
  H      -2.257921      2.071171      6.292399
  H      -1.088405      0.836773      5.745530
  C     -12.795696      3.089006      8.370765
  C     -11.330580      3.456113      8.527391
  O     -10.947463      4.619489      8.668124
  N     -10.483762      2.371936      8.500513
  C      -9.077834      2.342235      8.585341
  C      -8.435959      1.130326      8.277989
  C      -7.052095      1.018173      8.336983
  C      -6.308046      2.128069      8.721588
  F      -4.956661      2.020227      8.736380
  C      -6.911777      3.356725      9.024948
  C      -6.074437      4.557672      9.360506
  O      -5.161636      4.504211     10.172477
  C      -6.337920      5.815022      8.519355
  C      -5.920159      5.435110      7.116128
  C      -6.904343      5.042747      6.184342
  C      -6.522416      4.456085      4.983969
  N      -5.230742      4.278833      4.681796
  C      -4.266166      4.676123      5.573385
  C      -4.566931      5.287008      6.799158
  C      -8.308353      3.455460      8.948457
  C       3.288278     -2.562210      6.925609
  C       2.085665     -2.665846      6.006354
  O       1.224034     -1.791599      5.930419
  N       2.056506     -3.832593      5.268309
  C       1.115393     -4.250661      4.310673
  C       1.458338     -5.349736      3.500134
  C       0.583014     -5.815757      2.524795
  C      -0.633875     -5.167808      2.346098
  F      -1.476455     -5.641717      1.388426
  C      -1.019205     -4.088053      3.144107
  C      -2.320345     -3.347171      3.012465
  O      -2.832997     -2.857757      4.010436
  C      -2.923844     -3.157261      1.619546
  C      -3.670006     -1.853757      1.529329
  C      -5.063859     -1.786343      1.444307
  C      -5.657973     -0.519981      1.496291
  N      -4.989575      0.623516      1.656682
  C      -3.633296      0.565849      1.757489
  C      -2.948644     -0.665688      1.639248
  C      -0.132598     -3.640961      4.138201
  C      -8.466347     -6.897344     12.760425
  C      -8.280469     -7.182535     11.281872
  O      -8.285150     -8.322153     10.815410
  N      -8.108867     -6.046647     10.519365
  C      -7.908252     -5.928257      9.132898
  C      -7.872761     -7.030779      8.255805
  C      -7.667584     -6.813814      6.895934
  C      -7.500533     -5.522980      6.407261
  F      -7.305529     -5.388449      5.068419
  C      -7.532314     -4.400082      7.247817
  C      -7.366246     -2.959032      6.834840
  O      -7.434063     -2.081855      7.691763
  C      -7.115679     -2.629070      5.373770
  C      -6.943953     -1.164909      5.092927
  C      -8.047795     -0.326550      4.884698
  C      -7.791584      1.003072      4.540342
  N      -6.575210      1.543136      4.446771
  C      -5.499261      0.757425      4.718312
  C      -5.665599     -0.624054      5.008303
  C      -7.738965     -4.642566      8.614260
  H     -12.974977      2.586649      7.407532
  H     -13.118186      2.405303      9.170925
  H     -13.393990      4.004543      8.415389
  H     -10.921373      1.469288      8.334434
  H      -9.025445      0.263295      7.969139
  H      -6.561515      0.082021      8.062901
  H      -5.747581      6.636493      8.944287
  H      -7.405785      6.077418      8.517912
  H      -7.962655      5.157232      6.419269
  H      -7.246135      4.096202      4.254394
  H      -3.780366      5.531251      7.514112
  H      -8.806407      4.397627      9.163666
  H       4.225938     -2.568631      6.348500
  H       3.219353     -1.626817      7.489687
  H       3.320886     -3.408837      7.628163
  H       2.857259     -4.448362      5.384032
  H       2.424423     -5.843371      3.633407
  H       0.835781     -6.672769      1.899410
  H      -2.119045     -3.206795      0.869852
  H      -3.583000     -4.020223      1.424957
  H      -5.672004     -2.688698      1.359186
  H      -6.745109     -0.423789      1.407615
  H      -1.860999     -0.710519      1.724618
  H      -0.428083     -2.797273      4.757741
  H      -8.596956     -7.847482     13.287788
  H      -7.591853     -6.370702     13.172476
  H      -9.349832     -6.263072     12.930476
  H      -8.117484     -5.164855     11.025854
  H      -8.003365     -8.036198      8.647827
  H      -7.635573     -7.651402      6.197625
  H      -7.950800     -3.053126      4.790380
  H      -6.224070     -3.193712      5.053280
  H      -9.071632     -0.699840      4.965978
  H      -8.629014      1.679196      4.326665
  H      -4.802273     -1.283531      5.102604
  H      -7.760648     -3.766922      9.268732
  N      -3.917877      4.504061      2.168399
  H      -4.670485      5.192315      2.145985
  H      -3.323769      4.615893      1.344909
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.907185588343
  N      -3.099412      4.272438      5.106766
  Mo     -3.764258      3.112591      3.559995
  N      -4.285276      1.383272      4.710683
  C      -3.168951      0.546438      5.136237
  C      -1.990049      1.427735      5.486493
  N      -1.649986      2.316973      4.342262
  C      -0.885281      3.506057      4.792936
  C      -1.782412      4.399115      5.654178
  C      -0.936690      1.571355      3.266070
  C      -1.597210      1.900803      1.927132
  N      -3.036215      1.794739      2.058433
  H      -1.414606      5.440265      5.598576
  H      -1.744607      4.103592      6.719822
  H      -0.566619      4.046643      3.890723
  H       0.017048      3.188145      5.343691
  H      -1.193578      1.256846      1.125718
  H      -1.344130      2.939342      1.648647
  H      -1.025472      0.498675      3.482309
  H       0.134847      1.828739      3.282451
  H      -3.425494     -0.034800      6.039714
  H      -2.901016     -0.197995      4.361299
  H      -2.267538      2.065836      6.334308
  H      -1.105893      0.831373      5.773497
  C     -12.669816      2.924360      8.043568
  C     -11.227243      3.322543      8.292843
  O     -10.884767      4.491078      8.478069
  N     -10.353533      2.261618      8.293379
  C      -8.954758      2.264110      8.454224
  C      -8.269634      1.074068      8.162919
  C      -6.890687      0.993999      8.293358
  C      -6.192707      2.113275      8.731769
  F      -4.840388      2.034750      8.813991
  C      -6.840442      3.321953      9.020096
  C      -6.058369      4.543942      9.400762
  O      -5.162330      4.510480     10.231182
  C      -6.340665      5.802255      8.569131
  C      -5.929588      5.446767      7.159154
  C      -6.911043      5.064844      6.221686
  C      -6.527370      4.481649      5.020652
  N      -5.234961      4.303237      4.719865
  C      -4.274400      4.697072      5.614587
  C      -4.577105      5.300873      6.842406
  C      -8.232855      3.387875      8.871836
  C       3.226182     -2.617306      6.923476
  C       2.024795     -2.706103      6.003232
  O       1.164210     -1.831325      5.941869
  N       1.995758     -3.859337      5.246636
  C       1.055786     -4.259002      4.281527
  C       1.399974     -5.341273      3.450557
  C       0.526072     -5.789888      2.467218
  C      -0.690901     -5.139880      2.302029
  F      -1.533699     -5.596248      1.336178
  C      -1.077129     -4.076485      3.120167
  C      -2.380271     -3.338466      3.002716
  O      -2.896917     -2.872278      4.008926
  C      -2.980297     -3.122842      1.614044
  C      -3.714314     -1.812151      1.542706
  C      -5.107865     -1.731594      1.470187
  C      -5.690537     -0.462605      1.536553
  N      -5.012283      0.673272      1.698106
  C      -3.655871      0.604592      1.786796
  C      -2.981892     -0.631950      1.656905
  C      -0.191582     -3.647143      4.121741
  C      -8.400353     -6.856245     12.815377
  C      -8.237814     -7.141914     11.335487
  O      -8.255628     -8.280549     10.871031
  N      -8.071319     -6.008059     10.570722
  C      -7.889715     -5.891114      9.182449
  C      -7.869011     -6.993856      8.307136
  C      -7.681875     -6.779516      6.945139
  C      -7.518262     -5.490728      6.453063
  F      -7.341174     -5.357775      5.111547
  C      -7.535767     -4.367227      7.292003
  C      -7.371738     -2.929138      6.874336
  O      -7.426538     -2.049261      7.728388
  C      -7.136289     -2.602867      5.412020
  C      -6.965429     -1.138838      5.132921
  C      -8.067225     -0.299088      4.924859
  C      -7.808480      1.029202      4.583403
  N      -6.592585      1.566495      4.488536
  C      -5.516300      0.780984      4.758057
  C      -5.687530     -0.600877      5.046482
  C      -7.724298     -4.606560      8.661009
  H     -12.781036      2.438783      7.062688
  H     -13.021698      2.216527      8.808345
  H     -13.291005      3.824373      8.071647
  H     -10.757554      1.351896      8.087113
  H      -8.815994      0.199221      7.806243
  H      -6.375631      0.071558      8.026296
  H      -5.758052      6.624583      9.001822
  H      -7.410262      6.054536      8.582479
  H      -7.968777      5.177731      6.455878
  H      -7.247602      4.122197      4.288415
  H      -3.792064      5.535561      7.560903
  H      -8.764333      4.314226      9.069729
  H       4.163608     -2.614556      6.347798
  H       3.156419     -1.691593      7.502003
  H       3.259568     -3.474381      7.611753
  H       2.795882     -4.477446      5.352564
  H       2.366225     -5.834659      3.574407
  H       0.779506     -6.633907      1.826411
  H      -2.177300     -3.171201      0.863502
  H      -3.646283     -3.976874      1.406596
  H      -5.724936     -2.626490      1.383702
  H      -6.777516     -0.359126      1.460632
  H      -1.895199     -0.686357      1.735380
  H      -0.486223     -2.816471      4.757369
  H      -8.528240     -7.805644     13.343339
  H      -7.518355     -6.334476     13.215021
  H      -9.276666     -6.217373     12.998981
  H      -8.069003     -5.126117     11.076644
  H      -7.997028     -7.997221      8.703131
  H      -7.661595     -7.617458      6.248297
  H      -7.974881     -3.028376      4.835476
  H      -6.250658     -3.170564      5.081919
  H      -9.091186     -0.668771      5.005271
  H      -8.645543      1.705294      4.370979
  H      -4.828632     -1.263851      5.138650
  H      -7.734882     -3.730917      9.314065
  N      -3.993365      4.499765      2.195973
  H      -4.746792      5.188637      2.200151
  H      -3.457700      4.577649      1.329070
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.909661072942
  N      -3.110562      4.289275      5.091668
  Mo     -3.767020      3.126331      3.545881
  N      -4.297728      1.390326      4.699411
  C      -3.185215      0.557768      5.135287
  C      -2.005745      1.438888      5.491875
  N      -1.661019      2.323727      4.348758
  C      -0.900691      3.516563      4.794574
  C      -1.798203      4.412831      5.649263
  C      -0.940110      1.578789      3.280541
  C      -1.585753      1.907565      1.934751
  N      -3.024756      1.804764      2.050994
  H      -1.424373      5.451912      5.601125
  H      -1.769177      4.114402      6.714221
  H      -0.580877      4.051831      3.889873
  H       0.001651      3.205902      5.349538
  H      -1.174682      1.260955      1.139526
  H      -1.326299      2.943888      1.656106
  H      -1.032440      0.506425      3.494860
  H       0.131213      1.834372      3.308765
  H      -3.449992     -0.020635      6.038063
  H      -2.909104     -0.186816      4.363026
  H      -2.285982      2.078017      6.337669
  H      -1.122633      0.843389      5.782747
  C     -12.585873      2.808575      8.058688
  C     -11.151811      3.234538      8.306382
  O     -10.827422      4.411934      8.455519
  N     -10.265272      2.186188      8.347290
  C      -8.868395      2.210607      8.514039
  C      -8.168850      1.019638      8.270056
  C      -6.790420      0.963581      8.404478
  C      -6.105724      2.104034      8.800397
  F      -4.751334      2.042754      8.885098
  C      -6.768239      3.311384      9.047418
  C      -6.011323      4.554634      9.395561
  O      -5.117868      4.564349     10.228529
  C      -6.338899      5.795598      8.556203
  C      -5.946222      5.451328      7.139488
  C      -6.924132      5.067221      6.199563
  C      -6.535509      4.486030      4.998953
  N      -5.241869      4.311580      4.697021
  C      -4.286698      4.713060      5.591689
  C      -4.595579      5.315285      6.818339
  C      -8.160699      3.354961      8.892320
  C       3.165352     -2.628275      6.977252
  C       1.975247     -2.712222      6.043169
  O       1.114574     -1.839286      5.978955
  N       1.958651     -3.858865      5.277690
  C       1.033161     -4.252604      4.297223
  C       1.392458     -5.323533      3.459273
  C       0.532992     -5.765907      2.461634
  C      -0.684773     -5.120488      2.289214
  F      -1.513822     -5.571384      1.309391
  C      -1.086014     -4.067822      3.113800
  C      -2.391962     -3.339104      2.988385
  O      -2.928588     -2.890343      3.991482
  C      -2.971266     -3.111548      1.593926
  C      -3.700995     -1.798353      1.524347
  C      -5.094111     -1.715757      1.445039
  C      -5.675095     -0.448348      1.511815
  N      -4.997160      0.685337      1.679398
  C      -3.641429      0.617787      1.775216
  C      -2.968085     -0.620645      1.646463
  C      -0.214642     -3.645377      4.129687
  C      -8.435362     -6.800263     12.807860
  C      -8.270786     -7.096060     11.330833
  O      -8.290580     -8.236113     10.874632
  N      -8.100108     -5.967036     10.560120
  C      -7.915258     -5.857760      9.172603
  C      -7.891749     -6.965065      8.304892
  C      -7.701431     -6.760418      6.942708
  C      -7.537199     -5.475869      6.442389
  F      -7.357019     -5.352623      5.100410
  C      -7.557317     -4.346981      7.273625
  C      -7.393259     -2.914029      6.847029
  O      -7.451722     -2.028592      7.692737
  C      -7.151490     -2.598609      5.383656
  C      -6.980666     -1.135037      5.094632
  C      -8.080871     -0.298849      4.864184
  C      -7.818213      1.027764      4.523651
  N      -6.603199      1.567340      4.446263
  C      -5.526082      0.789328      4.734945
  C      -5.704280     -0.594468      5.024503
  C      -7.749125     -4.576618      8.643621
  H     -12.681476      2.289862      7.094185
  H     -12.934633      2.121593      8.842657
  H     -13.219074      3.700021      8.052185
  H     -10.655836      1.264865      8.169514
  H      -8.696833      0.123813      7.944557
  H      -6.273609      0.035044      8.171422
  H      -5.763139      6.630156      8.973905
  H      -7.411385      6.030150      8.597550
  H      -7.982001      5.173069      6.433193
  H      -7.253024      4.119399      4.267969
  H      -3.811958      5.551627      7.537114
  H      -8.703749      4.279966      9.057878
  H       4.108563     -2.619171      6.412635
  H       3.087321     -1.707789      7.562177
  H       3.192801     -3.490218      7.658556
  H       2.758881     -4.475846      5.388314
  H       2.359374     -5.812276      3.589388
  H       0.797909     -6.601405      1.815550
  H      -2.160222     -3.157552      0.853063
  H      -3.637773     -3.960619      1.370873
  H      -5.712234     -2.608431      1.352616
  H      -6.761216     -0.344348      1.432136
  H      -1.882585     -0.676876      1.731269
  H      -0.519655     -2.823941      4.771215
  H      -8.566718     -7.745435     13.341538
  H      -7.553462     -6.278290     13.205474
  H      -9.309658     -6.158108     12.985292
  H      -8.097762     -5.082126     11.060578
  H      -8.020471     -7.965074      8.707691
  H      -7.679151     -7.602741      6.252295
  H      -7.984545     -3.030029      4.804601
  H      -6.263367     -3.166715      5.062434
  H      -9.105285     -0.668807      4.929533
  H      -8.653072      1.700946      4.295504
  H      -4.849089     -1.258568      5.131741
  H      -7.761923     -3.697380      9.290531
  N      -4.071783      4.473912      2.151672
  H      -4.829189      5.158653      2.171833
  H      -3.594466      4.510304      1.248747
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.911988192996
  N      -3.116493      4.302937      5.105098
  Mo     -3.784893      3.134949      3.568802
  N      -4.319558      1.399266      4.729174
  C      -3.207339      0.567684      5.166052
  C      -2.024643      1.446061      5.520399
  N      -1.680036      2.324641      4.373987
  C      -0.913610      3.517637      4.808921
  C      -1.803546      4.420168      5.663240
  C      -0.961368      1.574302      3.308727
  C      -1.603811      1.901921      1.961310
  N      -3.043892      1.805762      2.076688
  H      -1.422601      5.456697      5.617707
  H      -1.777689      4.119669      6.727853
  H      -0.598567      4.047792      3.899209
  H      -0.008020      3.209698      5.360561
  H      -1.194580      1.249713      1.169551
  H      -1.339079      2.935978      1.678804
  H      -1.058581      0.502075      3.523206
  H       0.111455      1.824516      3.336250
  H      -3.472651     -0.008069      6.070336
  H      -2.931066     -0.177741      4.394644
  H      -2.301882      2.086850      6.366362
  H      -1.143867      0.846799      5.811036
  C     -12.513241      2.856094      7.845911
  C     -11.087891      3.274888      8.153751
  O     -10.764289      4.449451      8.327174
  N     -10.207558      2.221560      8.218328
  C      -8.817784      2.238350      8.436616
  C      -8.113040      1.046365      8.210388
  C      -6.738708      0.987174      8.391372
  C      -6.064330      2.123407      8.814030
  F      -4.712854      2.059366      8.938236
  C      -6.731907      3.330428      9.045815
  C      -5.988274      4.573402      9.417913
  O      -5.105395      4.583388     10.262901
  C      -6.318862      5.818600      8.585872
  C      -5.941492      5.477790      7.165050
  C      -6.924340      5.101311      6.226284
  C      -6.541989      4.512838      5.027283
  N      -5.250319      4.328646      4.720331
  C      -4.289669      4.729840      5.609543
  C      -4.593130      5.332765      6.837594
  C      -8.119341      3.377656      8.845661
  C       3.114168     -2.644177      7.003599
  C       1.925380     -2.725761      6.066428
  O       1.062018     -1.854723      6.005921
  N       1.914689     -3.868162      5.293312
  C       0.993917     -4.259197      4.306501
  C       1.361299     -5.320233      3.459189
  C       0.506174     -5.758081      2.455335
  C      -0.715046     -5.118064      2.285244
  F      -1.538803     -5.565557      1.299483
  C      -1.124417     -4.074600      3.118573
  C      -2.434434     -3.353163      2.996774
  O      -2.980149     -2.921489      4.002834
  C      -3.009160     -3.111469      1.601841
  C      -3.734622     -1.794474      1.543740
  C      -5.128466     -1.708094      1.473023
  C      -5.705232     -0.439179      1.547832
  N      -5.022119      0.692028      1.714089
  C      -3.665828      0.621829      1.803527
  C      -2.997572     -0.619938      1.667554
  C      -0.257779     -3.658046      4.141339
  C      -8.322475     -6.879079     12.808074
  C      -8.185851     -7.160175     11.324493
  O      -8.217300     -8.295103     10.855882
  N      -8.025815     -6.021888     10.563293
  C      -7.866127     -5.896382      9.173807
  C      -7.858816     -6.993825      8.292802
  C      -7.693123     -6.774266      6.929505
  C      -7.537153     -5.484050      6.440300
  F      -7.381321     -5.346848      5.096659
  C      -7.541553     -4.364097      7.284690
  C      -7.384614     -2.926706      6.871480
  O      -7.427605     -2.051183      7.728322
  C      -7.165772     -2.596194      5.406140
  C      -6.999303     -1.129657      5.121590
  C      -8.102419     -0.294226      4.895850
  C      -7.841379      1.034122      4.557720
  N      -6.627022      1.576017      4.478033
  C      -5.546625      0.800665      4.763806
  C      -5.724877     -0.585287      5.051385
  C      -7.708800     -4.609215      8.655779
  H     -12.571581      2.346770      6.873053
  H     -12.894409      2.162578      8.609344
  H     -13.143787      3.749558      7.823077
  H     -10.594211      1.303334      8.016803
  H      -8.627612      0.151500      7.860745
  H      -6.218489      0.056463      8.168874
  H      -5.733727      6.649746      8.998607
  H      -7.389656      6.059348      8.643777
  H      -7.981572      5.214400      6.461762
  H      -7.265192      4.148624      4.300103
  H      -3.804942      5.565471      7.553533
  H      -8.665206      4.303654      8.998588
  H       4.058378     -2.628523      6.439979
  H       3.033034     -1.727611      7.594813
  H       3.142746     -3.510762      7.679638
  H       2.717048     -4.482929      5.401648
  H       2.331266     -5.804681      3.587076
  H       0.777284     -6.586510      1.801914
  H      -2.197499     -3.153302      0.861262
  H      -3.680484     -3.954717      1.370038
  H      -5.749989     -2.599044      1.380892
  H      -6.791974     -0.331117      1.477727
  H      -1.911200     -0.680404      1.745564
  H      -0.569335     -2.844936      4.791115
  H      -8.447154     -7.829338     13.334951
  H      -7.431262     -6.363773     13.194557
  H      -9.191762     -6.235975     13.007763
  H      -8.012403     -5.142656     11.073727
  H      -7.980935     -7.998729      8.686630
  H      -7.683860     -7.609307      6.229286
  H      -8.006680     -3.023056      4.835090
  H      -6.280452     -3.159422      5.068027
  H      -9.126688     -0.666445      4.959481
  H      -8.677479      1.707123      4.331509
  H      -4.868591     -1.250076      5.156094
  H      -7.709540     -3.737048      9.313006
  N      -4.155605      4.445425      2.148848
  H      -4.905468      5.136742      2.186840
  H      -3.744697      4.427618      1.214133
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.914127915175
  N      -3.122291      4.315302      5.106019
  Mo     -3.803766      3.138895      3.581394
  N      -4.339606      1.408576      4.746353
  C      -3.226839      0.577887      5.186697
  C      -2.043055      1.454716      5.538970
  N      -1.696627      2.327553      4.388995
  C      -0.923779      3.520983      4.813279
  C      -1.808757      4.429199      5.665476
  C      -0.977504      1.572247      3.326336
  C      -1.615240      1.900804      1.976760
  N      -3.056726      1.807991      2.091330
  H      -1.423571      5.464172      5.621962
  H      -1.787634      4.126993      6.729929
  H      -0.614465      4.046383      3.898368
  H      -0.014693      3.216305      5.361250
  H      -1.206377      1.244868      1.187776
  H      -1.347968      2.933926      1.692421
  H      -1.079213      0.499640      3.538946
  H       0.096754      1.817635      3.353532
  H      -3.492311      0.005606      6.093072
  H      -2.949835     -0.169282      4.417162
  H      -2.319748      2.097225      6.384276
  H      -1.165900      0.850986      5.832159
  C     -12.421124      2.834492      7.684397
  C     -11.006541      3.257648      8.038135
  O     -10.688839      4.433894      8.218238
  N     -10.126757      2.204611      8.133887
  C      -8.744134      2.224722      8.395030
  C      -8.028939      1.033867      8.193087
  C      -6.657674      0.981961      8.410400
  C      -5.998186      2.124863      8.844936
  F      -4.650223      2.068828      9.000604
  C      -6.677711      3.330927      9.057053
  C      -5.957237      4.585225      9.445482
  O      -5.079378      4.606239     10.296807
  C      -6.303137      5.827924      8.611115
  C      -5.938222      5.485291      7.188030
  C      -6.927614      5.110433      6.254656
  C      -6.552065      4.518495      5.055803
  N      -5.262553      4.333149      4.740156
  C      -4.294103      4.738769      5.620251
  C      -4.590640      5.338467      6.851408
  C      -8.061204      3.367971      8.821152
  C       3.066028     -2.639076      7.036042
  C       1.880218     -2.723413      6.093574
  O       1.012387     -1.855668      6.031437
  N       1.877685     -3.864909      5.317283
  C       0.963164     -4.257210      4.324097
  C       1.340200     -5.310843      3.470962
  C       0.490125     -5.747505      2.461223
  C      -0.734946     -5.114053      2.290201
  F      -1.552229     -5.560887      1.298784
  C      -1.153795     -4.077578      3.128735
  C      -2.468378     -3.363996      3.006879
  O      -3.022747     -2.945348      4.014169
  C      -3.038693     -3.112451      1.610173
  C      -3.760506     -1.791978      1.558616
  C      -5.155137     -1.702948      1.494828
  C      -5.728600     -0.431584      1.574338
  N      -5.040284      0.698161      1.737514
  C      -3.683468      0.625116      1.821074
  C      -3.019604     -0.619530      1.681304
  C      -0.292887     -3.663389      4.157987
  C      -8.250563     -6.905078     12.801033
  C      -8.140314     -7.179281     11.312805
  O      -8.187838     -8.311594     10.836629
  N      -7.983966     -6.036270     10.555858
  C      -7.846453     -5.902576      9.164179
  C      -7.858871     -6.994992      8.275524
  C      -7.714290     -6.767559      6.910535
  C      -7.559674     -5.474301      6.426456
  F      -7.424988     -5.330431      5.081346
  C      -7.544708     -4.359106      7.278198
  C      -7.387239     -2.918537      6.872057
  O      -7.413434     -2.046497      7.735774
  C      -7.189652     -2.579147      5.404379
  C      -7.022269     -1.111789      5.129312
  C      -8.125054     -0.272920      4.908282
  C      -7.860847      1.057323      4.575507
  N      -6.644721      1.596465      4.496313
  C      -5.566681      0.815929      4.778487
  C      -5.747817     -0.569571      5.062541
  C      -7.691044     -4.612822      8.650747
  H     -12.444845      2.321889      6.711010
  H     -12.825456      2.142092      8.437831
  H     -13.053811      3.726137      7.637583
  H     -10.504722      1.285141      7.920783
  H      -8.527909      0.133188      7.832690
  H      -6.127367      0.050736      8.205208
  H      -5.717696      6.666026      9.010497
  H      -7.374427      6.063942      8.685304
  H      -7.984422      5.225544      6.494660
  H      -7.281855      4.152920      4.334918
  H      -3.796775      5.572720      7.561910
  H      -8.616444      4.290987      8.960276
  H       4.012374     -2.617735      6.474783
  H       2.979570     -1.724144      7.629917
  H       3.095378     -3.507829      7.710406
  H       2.682622     -4.476287      5.426822
  H       2.313472     -5.790467      3.598875
  H       0.768420     -6.570719      1.802945
  H      -2.225869     -3.151598      0.870287
  H      -3.715293     -3.950466      1.372882
  H      -5.779074     -2.593278      1.404241
  H      -6.816051     -0.319001      1.511490
  H      -1.932236     -0.683793      1.754311
  H      -0.612546     -2.856908      4.813297
  H      -8.374134     -7.857225     13.325829
  H      -7.348223     -6.398644     13.175124
  H      -9.112233     -6.256127     13.017775
  H      -7.956151     -5.160403     11.071718
  H      -7.979654     -8.002611      8.664559
  H      -7.720534     -7.598747      6.204617
  H      -8.039899     -2.997418      4.840566
  H      -6.308622     -3.140737      5.050942
  H      -9.150255     -0.644438      4.968009
  H      -8.694912      1.734469      4.351667
  H      -4.892219     -1.237439      5.164861
  H      -7.676951     -3.744305      9.313831
  N      -4.253389      4.401873      2.139371
  H      -4.999570      5.095347      2.191731
  H      -3.909319      4.325456      1.181792
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.916047686635
  N      -3.119836      4.333964      5.084858
  Mo     -3.823482      3.139361      3.582569
  N      -4.359873      1.423071      4.760709
  C      -3.247605      0.594558      5.209026
  C      -2.060223      1.470375      5.552121
  N      -1.711603      2.328293      4.391638
  C      -0.928181      3.522787      4.795403
  C      -1.803773      4.444983      5.640947
  C      -0.996989      1.557751      3.336413
  C      -1.631728      1.881192      1.984631
  N      -3.074312      1.797007      2.101089
  H      -1.412595      5.477239      5.590190
  H      -1.785246      4.149181      6.707345
  H      -0.625788      4.035939      3.870992
  H      -0.015446      3.221596      5.339026
  H      -1.227430      1.215765      1.201235
  H      -1.359671      2.910727      1.692121
  H      -1.106530      0.487065      3.555328
  H       0.079311      1.794973      3.360256
  H      -3.514852      0.032894      6.121647
  H      -2.972823     -0.160753      4.446613
  H      -2.333313      2.121748      6.391959
  H      -1.187818      0.862400      5.851313
  C     -12.353486      2.886647      7.538021
  C     -10.947203      3.304657      7.930755
  O     -10.625591      4.481281      8.106572
  N     -10.078838      2.245838      8.067176
  C      -8.704001      2.259167      8.368699
  C      -7.991667      1.060996      8.199618
  C      -6.625170      1.004937      8.450206
  C      -5.969736      2.149642      8.883532
  F      -4.625866      2.089961      9.065099
  C      -6.646376      3.361690      9.067593
  C      -5.923760      4.614414      9.456947
  O      -5.052840      4.633581     10.315809
  C      -6.263517      5.860929      8.622452
  C      -5.913194      5.516553      7.195688
  C      -6.912667      5.147063      6.270036
  C      -6.550787      4.544000      5.072525
  N      -5.265923      4.348430      4.747329
  C      -4.286278      4.758138      5.613898
  C      -4.569105      5.361139      6.846969
  C      -8.024663      3.402983      8.800890
  C       3.010283     -2.625393      7.090133
  C       1.828556     -2.716396      6.142415
  O       0.955626     -1.853436      6.075799
  N       1.835468     -3.858594      5.366317
  C       0.927889     -4.255053      4.367918
  C       1.316163     -5.302655      3.511951
  C       0.472423     -5.741498      2.497238
  C      -0.756854     -5.116563      2.323585
  F      -1.566886     -5.565247      1.327160
  C      -1.186747     -4.086292      3.164671
  C      -2.506652     -3.382578      3.039723
  O      -3.070385     -2.974630      4.046488
  C      -3.072389     -3.127418      1.640641
  C      -3.790676     -1.804318      1.589071
  C      -5.185513     -1.712961      1.531818
  C      -5.755694     -0.439086      1.609781
  N      -5.063287      0.690108      1.763616
  C      -3.706497      0.613929      1.840364
  C      -3.046264     -0.633071      1.704061
  C      -0.332749     -3.670489      4.199315
  C      -8.116979     -7.021238     12.756491
  C      -8.049092     -7.267865     11.260441
  O      -8.119203     -8.390533     10.762827
  N      -7.902892     -6.111216     10.521660
  C      -7.802132     -5.951671      9.129246
  C      -7.845472     -7.027079      8.219938
  C      -7.736110     -6.773869      6.855837
  C      -7.585972     -5.471914      6.392465
  F      -7.486335     -5.302841      5.047406
  C      -7.540957     -4.373535      7.264973
  C      -7.384940     -2.925809      6.882252
  O      -7.379694     -2.072022      7.763776
  C      -7.219908     -2.562258      5.415630
  C      -7.049600     -1.092709      5.147506
  C      -8.151560     -0.250552      4.930900
  C      -7.884625      1.079967      4.596177
  N      -6.666982      1.617292      4.512581
  C      -5.590532      0.833984      4.793932
  C      -5.773457     -0.551459      5.078888
  C      -7.652117     -4.653358      8.635962
  H     -12.349524      2.362308      6.570196
  H     -12.785482      2.206254      8.287476
  H     -12.979029      3.781475      7.460305
  H     -10.456524      1.326789      7.851343
  H      -8.485337      0.157740      7.837551
  H      -6.091139      0.070945      8.271660
  H      -5.666849      6.693994      9.016289
  H      -7.331481      6.108967      8.706878
  H      -7.967324      5.269585      6.516972
  H      -7.290386      4.178479      4.361386
  H      -3.767218      5.595567      7.548937
  H      -8.577942      4.330068      8.918363
  H       3.958713     -2.598831      6.531938
  H       2.916812     -1.710711      7.683740
  H       3.041092     -3.494126      7.764979
  H       2.643603     -4.465286      5.478819
  H       2.292842     -5.775761      3.641200
  H       0.759113     -6.560246      1.836373
  H      -2.258088     -3.166982      0.902326
  H      -3.753259     -3.961730      1.401819
  H      -5.811318     -2.602961      1.447409
  H      -6.842965     -0.322607      1.553383
  H      -1.958310     -0.699947      1.772080
  H      -0.661582     -2.869638      4.857449
  H      -8.234972     -7.982046     13.267106
  H      -7.199793     -6.529711     13.114950
  H      -8.967233     -6.369251     13.008009
  H      -7.853998     -5.245844     11.053547
  H      -7.962361     -8.041816      8.591945
  H      -7.766629     -7.591296      6.134177
  H      -8.085302     -2.968249      4.866040
  H      -6.347811     -3.122077      5.037138
  H      -9.177847     -0.621070      4.990111
  H      -8.717179      1.759721      4.373408
  H      -4.917943     -1.220335      5.179380
  H      -7.614738     -3.797539      9.315123
  N      -4.351443      4.341066      2.118798
  H      -5.094571      5.036876      2.178240
  H      -4.071728      4.197088      1.148557
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.917864556804
  N      -3.126437      4.352745      5.082268
  Mo     -3.847347      3.146426      3.593923
  N      -4.387910      1.443822      4.773527
  C      -3.280705      0.612942      5.231328
  C      -2.090650      1.484163      5.574844
  N      -1.732346      2.332140      4.410541
  C      -0.939861      3.523774      4.804611
  C      -1.810390      4.456639      5.642155
  C      -1.018304      1.551939      3.361661
  C      -1.642756      1.879811      2.005712
  N      -3.086199      1.804871      2.116729
  H      -1.412396      5.486043      5.590133
  H      -1.800087      4.163129      6.709292
  H      -0.638324      4.028408      3.875145
  H      -0.027159      3.221824      5.347447
  H      -1.239775      1.210497      1.225036
  H      -1.363993      2.907407      1.713582
  H      -1.138379      0.482598      3.581021
  H       0.059938      1.779722      3.389951
  H      -3.555606      0.057658      6.145829
  H      -3.006908     -0.147335      4.473502
  H      -2.363612      2.141931      6.409683
  H      -1.225387      0.870049      5.882496
  C     -12.233982      2.829284      7.349982
  C     -10.847340      3.258243      7.796226
  O     -10.540283      4.437885      7.978947
  N      -9.978782      2.205885      7.973456
  C      -8.616034      2.230324      8.325402
  C      -7.891729      1.036048      8.189061
  C      -6.533862      0.991754      8.482562
  C      -5.898888      2.146132      8.925665
  F      -4.560442      2.097511      9.143668
  C      -6.590242      3.355752      9.082495
  C      -5.892906      4.620399      9.485909
  O      -5.031518      4.649888     10.353801
  C      -6.244433      5.866313      8.651717
  C      -5.902891      5.526068      7.222146
  C      -6.910213      5.164223      6.302739
  C      -6.558079      4.560965      5.102679
  N      -5.276659      4.361688      4.770025
  C      -4.288790      4.772782      5.625960
  C      -4.560896      5.369463      6.863745
  C      -7.960222      3.381557      8.773671
  C       2.925120     -2.640409      7.142134
  C       1.751672     -2.728971      6.184201
  O       0.877289     -1.867737      6.114313
  N       1.767252     -3.867117      5.402276
  C       0.869245     -4.258461      4.393319
  C       1.268622     -5.296130      3.530401
  C       0.434102     -5.728837      2.505393
  C      -0.796415     -5.107546      2.328347
  F      -1.597360     -5.549882      1.321902
  C      -1.236929     -4.087178      3.175929
  C      -2.559197     -3.388466      3.047096
  O      -3.133774     -2.994763      4.053259
  C      -3.114065     -3.120000      1.645915
  C      -3.824019     -1.792036      1.599323
  C      -5.218320     -1.692686      1.542605
  C      -5.781163     -0.415406      1.624019
  N      -5.081598      0.709468      1.779280
  C      -3.725339      0.624471      1.855641
  C      -3.072150     -0.625594      1.717751
  C      -0.392851     -3.678121      4.221118
  C      -8.015072     -7.028613     12.745856
  C      -7.974570     -7.269134     11.247974
  O      -8.057507     -8.389422     10.746495
  N      -7.836989     -6.110178     10.511567
  C      -7.761046     -5.945552      9.118159
  C      -7.822908     -7.017270      8.205249
  C      -7.737701     -6.758221      6.840520
  C      -7.593192     -5.454571      6.379851
  F      -7.517490     -5.280113      5.034055
  C      -7.529989     -4.360173      7.255962
  C      -7.377202     -2.910677      6.876588
  O      -7.355525     -2.059244      7.761218
  C      -7.238526     -2.541384      5.409227
  C      -7.073212     -1.071204      5.148442
  C      -8.176181     -0.231534      4.928581
  C      -7.911534      1.099788      4.594785
  N      -6.694636      1.639678      4.515616
  C      -5.619976      0.856388      4.802057
  C      -5.798669     -0.527219      5.086517
  C      -7.617171     -4.645816      8.627330
  H     -12.187818      2.300844      6.385470
  H     -12.690530      2.149661      8.085346
  H     -12.862090      3.719243      7.242900
  H     -10.341387      1.283466      7.746477
  H      -8.367114      0.126825      7.817926
  H      -5.985349      0.061400      8.330942
  H      -5.650411      6.703409      9.040860
  H      -7.312725      6.109670      8.746834
  H      -7.962862      5.289811      6.555744
  H      -7.304218      4.197388      4.397499
  H      -3.753616      5.601945      7.560052
  H      -8.525047      4.304115      8.867907
  H       3.877804     -2.608733      6.591580
  H       2.824760     -1.729074      7.739703
  H       2.951863     -3.512611      7.812562
  H       2.576083     -4.472344      5.517483
  H       2.246257     -5.766406      3.662029
  H       0.729007     -6.540040      1.838900
  H      -2.295446     -3.158335      0.912661
  H      -3.800051     -3.947383      1.398135
  H      -5.848473     -2.579260      1.455826
  H      -6.867849     -0.291278      1.569441
  H      -1.984741     -0.699390      1.785254
  H      -0.730611     -2.885782      4.884845
  H      -8.127509     -7.990900     13.254889
  H      -7.089604     -6.542081     13.089379
  H      -8.858536     -6.374772     13.014673
  H      -7.775725     -5.247231     11.046133
  H      -7.935297     -8.033498      8.574200
  H      -7.782897     -7.572370      6.115998
  H      -8.111620     -2.944729      4.870367
  H      -6.370711     -3.097862      5.015861
  H      -9.201182     -0.605650      4.980882
  H      -8.744180      1.778197      4.368623
  H      -4.941071     -1.192365      5.191058
  H      -7.565863     -3.792769      9.309081
  N      -4.446295      4.290168      2.118440
  H      -5.187950      4.987083      2.181625
  H      -4.223586      4.080834      1.145457
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.919468980121
  N      -3.132465      4.373008      5.062047
  Mo     -3.875397      3.146024      3.595538
  N      -4.418337      1.464180      4.783234
  C      -3.316059      0.632248      5.252693
  C      -2.121521      1.499246      5.591703
  N      -1.753454      2.331253      4.420328
  C      -0.951906      3.520861      4.799175
  C      -1.815726      4.469841      5.624115
  C      -1.042618      1.536251      3.381856
  C      -1.657346      1.863625      2.021599
  N      -3.100942      1.799954      2.127582
  H      -1.409388      5.495342      5.564222
  H      -1.812630      4.185337      6.693593
  H      -0.650740      4.012003      3.862441
  H      -0.039663      3.219610      5.342739
  H      -1.257036      1.187875      1.245370
  H      -1.370748      2.887807      1.726642
  H      -1.175001      0.469901      3.606906
  H       0.037676      1.753161      3.413811
  H      -3.598490      0.088222      6.171548
  H      -3.045134     -0.136681      4.502597
  H      -2.393201      2.167709      6.418214
  H      -1.263305      0.880713      5.910226
  C     -12.121391      2.822884      7.183572
  C     -10.753162      3.254470      7.679355
  O     -10.451200      4.435469      7.859226
  N      -9.894150      2.203894      7.901837
  C      -8.544354      2.232564      8.299229
  C      -7.816353      1.038114      8.197356
  C      -6.467632      1.000072      8.526320
  C      -5.845575      2.161073      8.970677
  F      -4.512039      2.117144      9.217595
  C      -6.543033      3.370909      9.098429
  C      -5.857305      4.640768      9.503599
  O      -5.002954      4.676119     10.377628
  C      -6.210675      5.886353      8.669027
  C      -5.882429      5.548975      7.235424
  C      -6.900115      5.195585      6.324883
  C      -6.562060      4.585461      5.123872
  N      -5.285383      4.376904      4.782458
  C      -4.287370      4.790999      5.623176
  C      -4.544778      5.386577      6.864565
  C      -7.904472      3.388701      8.755585
  C       2.830469     -2.641089      7.215304
  C       1.666920     -2.732468      6.246466
  O       0.789609     -1.875380      6.170341
  N       1.694640     -3.868337      5.462125
  C       0.808348     -4.258746      4.443025
  C       1.221854     -5.287529      3.576587
  C       0.399080     -5.718451      2.541751
  C      -0.833477     -5.103726      2.358449
  F      -1.623202     -5.543459      1.342179
  C      -1.287459     -4.092202      3.209162
  C      -2.612640     -3.401057      3.072986
  O      -3.199555     -3.018796      4.076190
  C      -3.155755     -3.126521      1.668894
  C      -3.857830     -1.794559      1.621274
  C      -5.251400     -1.687759      1.565329
  C      -5.807221     -0.407942      1.644861
  N      -5.101541      0.713369      1.795607
  C      -3.745739      0.621290      1.870476
  C      -3.099023     -0.632274      1.737097
  C      -0.455624     -3.685557      4.264500
  C      -7.861420     -7.091861     12.700964
  C      -7.865190     -7.313397     11.200146
  O      -7.969460     -8.426395     10.687622
  N      -7.741381     -6.146634     10.474629
  C      -7.705242     -5.965461      9.082001
  C      -7.799088     -7.025287      8.158515
  C      -7.752576     -6.749633      6.795488
  C      -7.615059     -5.441513      6.346634
  F      -7.577678     -5.250992      5.001446
  C      -7.520605     -4.358635      7.233689
  C      -7.371018     -2.905619      6.867727
  O      -7.315327     -2.065783      7.761272
  C      -7.271402     -2.520466      5.401930
  C      -7.106693     -1.048388      5.152004
  C      -8.208239     -0.207357      4.933379
  C      -7.943212      1.124225      4.602841
  N      -6.726048      1.663695      4.525132
  C      -5.653709      0.878624      4.812233
  C      -5.832048     -0.504456      5.094642
  C      -7.569033     -4.660735      8.603130
  H     -12.038459      2.284443      6.227434
  H     -12.607270      2.152163      7.907682
  H     -12.743075      3.712298      7.042288
  H     -10.247677      1.279523      7.668932
  H      -8.280602      0.125299      7.822847
  H      -5.909409      0.071558      8.403746
  H      -5.611466      6.720524      9.055876
  H      -7.276956      6.134415      8.773627
  H      -7.949661      5.327967      6.585783
  H      -7.316761      4.222537      4.427658
  H      -3.730624      5.616978      7.552920
  H      -8.473964      4.310219      8.825241
  H       3.787699     -2.603570      6.673788
  H       2.720183     -1.731893      7.813972
  H       2.854688     -3.514666      7.883458
  H       2.505372     -4.469912      5.582375
  H       2.200977     -5.752395      3.712928
  H       0.704720     -6.522888      1.872455
  H      -2.332520     -3.166751      0.941544
  H      -3.845288     -3.948904      1.415556
  H      -5.885570     -2.571212      1.480808
  H      -6.893168     -0.277645      1.592944
  H      -2.012537     -0.712225      1.804469
  H      -0.804511     -2.900978      4.931025
  H      -7.965170     -8.059621     13.200872
  H      -6.923593     -6.615440     13.023439
  H      -8.692672     -6.436896     13.001843
  H      -7.659641     -5.290784     11.017697
  H      -7.905824     -8.045394      8.517335
  H      -7.822941     -7.554263      6.062863
  H      -8.158522     -2.915342      4.880891
  H      -6.414852     -3.075040      4.982189
  H      -9.232777     -0.582406      4.979472
  H      -8.774885      1.803454      4.377307
  H      -4.974691     -1.168425      5.199377
  H      -7.493551     -3.816486      9.293024
  N      -4.540074      4.229754      2.107991
  H      -5.281453      4.927282      2.168699
  H      -4.367987      3.954150      1.141219
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.920828894765
  N      -3.140462      4.394602      5.043567
  Mo     -3.901754      3.145795      3.597349
  N      -4.446292      1.481866      4.789897
  C      -3.348678      0.649694      5.272216
  C      -2.151813      1.512976      5.611250
  N      -1.771970      2.330290      4.434926
  C      -0.964754      3.518110      4.802499
  C      -1.824701      4.482093      5.612242
  C      -1.062562      1.522398      3.407352
  C      -1.663111      1.852710      2.041924
  N      -3.107212      1.800809      2.137071
  H      -1.408526      5.503160      5.546031
  H      -1.831789      4.206840      6.683995
  H      -0.659935      3.996748      3.860465
  H      -0.054869      3.218064      5.350664
  H      -1.262796      1.173429      1.268971
  H      -1.366418      2.874294      1.748725
  H      -1.209292      0.458748      3.635809
  H       0.019887      1.727123      3.447232
  H      -3.640176      0.113908      6.192728
  H      -3.077397     -0.125191      4.528462
  H      -2.425372      2.190890      6.429441
  H      -1.300031      0.891927      5.942200
  C     -12.024398      2.816818      7.060928
  C     -10.673225      3.252560      7.597114
  O     -10.379647      4.434870      7.780792
  N      -9.820462      2.204834      7.851923
  C      -8.480867      2.238520      8.281801
  C      -7.747703      1.046060      8.201122
  C      -6.406240      1.014801      8.556350
  C      -5.796003      2.180510      9.005477
  F      -4.466340      2.142043      9.273889
  C      -6.500043      3.388203      9.113835
  C      -5.826761      4.663231      9.519721
  O      -4.977386      4.707083     10.398245
  C      -6.185331      5.905692      8.683497
  C      -5.868848      5.570716      7.246441
  C      -6.894994      5.225855      6.342569
  C      -6.568374      4.609272      5.141218
  N      -5.295390      4.390953      4.793706
  C      -4.289067      4.808517      5.620572
  C      -4.534860      5.402476      6.865540
  C      -7.855032      3.397943      8.747054
  C       2.719200     -2.661046      7.293862
  C       1.569261     -2.749487      6.309112
  O       0.690834     -1.894578      6.227043
  N       1.610906     -3.879771      5.517568
  C       0.740391     -4.264178      4.482867
  C       1.171499     -5.280817      3.610987
  C       0.365345     -5.705691      2.560966
  C      -0.868210     -5.096313      2.368085
  F      -1.642221     -5.529899      1.337182
  C      -1.339383     -4.096780      3.223446
  C      -2.666777     -3.412450      3.076667
  O      -3.270610     -3.045659      4.075578
  C      -3.191553     -3.125292      1.668596
  C      -3.884622     -1.788700      1.623393
  C      -5.277255     -1.672857      1.563972
  C      -5.825257     -0.390634      1.646260
  N      -5.112926      0.725744      1.800348
  C      -3.757584      0.625720      1.877391
  C      -3.118321     -0.631867      1.744598
  C      -0.524477     -3.696799      4.294276
  C      -7.739122     -7.125334     12.672092
  C      -7.769408     -7.338375     11.170607
  O      -7.884223     -8.448269     10.654559
  N      -7.656348     -6.168145     10.449316
  C      -7.645138     -5.979650      9.057420
  C      -7.756626     -7.034183      8.130380
  C      -7.735048     -6.751312      6.768389
  C      -7.604969     -5.441326      6.323988
  F      -7.591995     -5.243813      4.979229
  C      -7.492882     -4.363391      7.214821
  C      -7.348113     -2.909094      6.853635
  O      -7.274501     -2.073819      7.749833
  C      -7.281819     -2.516551      5.387966
  C      -7.125201     -1.042695      5.143186
  C      -8.229126     -0.207544      4.916270
  C      -7.969940      1.125759      4.589982
  N      -6.755218      1.672076      4.521430
  C      -5.681672      0.892257      4.815047
  C      -5.853694     -0.491164      5.096646
  C      -7.516362     -4.672482      8.583235
  H     -11.910911      2.275248      6.109929
  H     -12.531314      2.147808      7.771796
  H     -12.642589      3.704662      6.897211
  H     -10.163901      1.278892      7.610201
  H      -8.202592      0.131202      7.820889
  H      -5.839190      0.089421      8.452352
  H      -5.582783      6.738566      9.067790
  H      -7.250499      6.155167      8.796609
  H      -7.942034      5.365117      6.609142
  H      -7.329570      4.246706      4.452066
  H      -3.715314      5.630746      7.547868
  H      -8.429333      4.317163      8.801889
  H       3.683374     -2.616762      6.765742
  H       2.597657     -1.756343      7.896919
  H       2.737430     -3.538926      7.956238
  H       2.422376     -4.479074      5.643628
  H       2.151430     -5.741146      3.755066
  H       0.684693     -6.501042      1.887545
  H      -2.360704     -3.164988      0.950381
  H      -3.883369     -3.941525      1.402469
  H      -5.916280     -2.552153      1.475123
  H      -6.910367     -0.253710      1.594043
  H      -2.032880     -0.719313      1.814755
  H      -0.887295     -2.922227      4.964726
  H      -7.835301     -8.095764     13.168036
  H      -6.795331     -6.651986     12.980843
  H      -8.563986     -6.471337     12.991486
  H      -7.564052     -5.315264     10.995310
  H      -7.857679     -8.056082      8.485287
  H      -7.819427     -7.551905      6.033061
  H      -8.177290     -2.911771      4.882390
  H      -6.431997     -3.066457      4.948716
  H      -9.251359     -0.589558      4.950573
  H      -8.803906      1.800413      4.359991
  H      -4.993257     -1.149134      5.209369
  H      -7.427472     -3.831957      9.275738
  N      -4.621550      4.180601      2.103111
  H      -5.364470      4.876706      2.161001
  H      -4.493155      3.848868      1.147265
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.922056487700
  N      -3.149173      4.415984      5.019820
  Mo     -3.929447      3.143413      3.596435
  N      -4.473112      1.496142      4.796604
  C      -3.379115      0.662938      5.289097
  C      -2.179256      1.522621      5.626493
  N      -1.789880      2.326494      4.445187
  C      -0.978695      3.513694      4.800591
  C      -1.834314      4.492418      5.594733
  C      -1.083709      1.507302      3.426034
  C      -1.670990      1.842098      2.056484
  N      -3.115370      1.801829      2.142184
  H      -1.406658      5.508334      5.522252
  H      -1.851139      4.227041      6.668748
  H      -0.669594      3.979344      3.853383
  H      -0.070794      3.216643      5.354052
  H      -1.271247      1.160397      1.285516
  H      -1.363596      2.861198      1.765863
  H      -1.245600      0.446398      3.656497
  H       0.001020      1.698738      3.473789
  H      -3.677935      0.134746      6.211205
  H      -3.108696     -0.117214      4.550446
  H      -2.453197      2.209629      6.437092
  H      -1.332339      0.900435      5.968033
  C     -11.909293      2.783759      6.930228
  C     -10.580950      3.229443      7.512871
  O     -10.305237      4.413991      7.709446
  N      -9.727691      2.188792      7.792330
  C      -8.398908      2.232968      8.253638
  C      -7.655187      1.046049      8.189429
  C      -6.322417      1.025382      8.574952
  C      -5.729373      2.196248      9.034602
  F      -4.404929      2.166643      9.329995
  C      -6.444104      3.398961      9.124695
  C      -5.788694      4.681984      9.532031
  O      -4.945769      4.739252     10.416428
  C      -6.159345      5.919694      8.694573
  C      -5.856413      5.587874      7.254098
  C      -6.891404      5.247802      6.358869
  C      -6.576575      4.624411      5.157802
  N      -5.307040      4.399438      4.802675
  C      -4.292002      4.824266      5.613367
  C      -4.526033      5.417127      6.861543
  C      -7.792257      3.396724      8.732249
  C       2.610585     -2.664317      7.377210
  C       1.473869     -2.754176      6.377544
  O       0.593441     -1.902276      6.287092
  N       1.529351     -3.881703      5.583038
  C       0.673860     -4.263146      4.534919
  C       1.120953     -5.271001      3.660993
  C       0.329983     -5.693001      2.598402
  C      -0.904325     -5.088426      2.395259
  F      -1.664113     -5.518841      1.352376
  C      -1.390701     -4.097143      3.251574
  C      -2.719813     -3.418741      3.093520
  O      -3.337533     -3.062298      4.087613
  C      -3.230143     -3.125496      1.681676
  C      -3.914285     -1.784416      1.634339
  C      -5.306305     -1.659700      1.576952
  C      -5.846333     -0.374633      1.659767
  N      -5.126731      0.737423      1.810195
  C      -3.771472      0.629967      1.883260
  C      -3.140219     -0.632363      1.752580
  C      -0.591359     -3.700932      4.335424
  C      -7.599405     -7.165385     12.631311
  C      -7.669940     -7.365240     11.129456
  O      -7.804654     -8.470196     10.608050
  N      -7.568982     -6.189858     10.414959
  C      -7.594061     -5.990062      9.024866
  C      -7.735919     -7.036413      8.093113
  C      -7.749986     -6.742904      6.733296
  C      -7.625716     -5.430257      6.295985
  F      -7.647913     -5.221945      4.952814
  C      -7.483934     -4.359992      7.191842
  C      -7.342362     -2.903953      6.837887
  O      -7.229899     -2.076678      7.737382
  C      -7.317211     -2.499910      5.374106
  C      -7.158986     -1.024783      5.139160
  C      -8.260107     -0.186256      4.912136
  C      -7.997911      1.148051      4.593624
  N      -6.781766      1.691674      4.530031
  C      -5.710961      0.908299      4.822076
  C      -5.886594     -0.475118      5.099946
  C      -7.471289     -4.679582      8.557976
  H     -11.758896      2.247615      5.981320
  H     -12.433579      2.106376      7.620152
  H     -12.529530      3.666880      6.750056
  H     -10.053957      1.260785      7.534981
  H      -8.096072      0.128549      7.798873
  H      -5.746293      0.104341      8.486798
  H      -5.556642      6.754226      9.075183
  H      -7.224314      6.165737      8.817816
  H      -7.935786      5.390620      6.633096
  H      -7.343581      4.257536      4.477336
  H      -3.700742      5.645332      7.536816
  H      -8.374602      4.311346      8.774295
  H       3.581501     -2.614541      6.862226
  H       2.477214     -1.761973      7.981206
  H       2.624369     -3.544050      8.037165
  H       2.341505     -4.478404      5.716475
  H       2.101575     -5.726899      3.813766
  H       0.661706     -6.482012      1.923674
  H      -2.394147     -3.168981      0.969987
  H      -3.924768     -3.937020      1.408558
  H      -5.950943     -2.535021      1.490269
  H      -6.931009     -0.232146      1.612484
  H      -2.055462     -0.726846      1.822466
  H      -0.966526     -2.933720      5.007337
  H      -7.688001     -8.139784     13.120726
  H      -6.645544     -6.699728     12.920014
  H      -8.411787     -6.509969     12.978435
  H      -7.457879     -5.341941     10.965118
  H      -7.832448     -8.060509      8.442823
  H      -7.858139     -7.537234      5.994395
  H      -8.227678     -2.887297      4.890121
  H      -6.483325     -3.050441      4.905694
  H      -9.282883     -0.567132      4.937809
  H      -8.830312      1.824923      4.364898
  H      -5.028627     -1.135048      5.214802
  H      -7.359424     -3.845015      9.254165
  N      -4.705433      4.135169      2.104916
  H      -5.453020      4.826028      2.165781
  H      -4.619528      3.757238      1.161458
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.923179927480
  N      -3.163079      4.442263      5.007893
  Mo     -3.960598      3.148224      3.605027
  N      -4.504562      1.511543      4.809330
  C      -3.415007      0.677661      5.313061
  C      -2.213466      1.533839      5.652840
  N      -1.812954      2.325578      4.468280
  C      -0.998358      3.511453      4.814156
  C      -1.850359      4.504390      5.591996
  C      -1.109883      1.496259      3.456838
  C      -1.680383      1.839387      2.082723
  N      -3.125442      1.812785      2.155352
  H      -1.409104      5.514335      5.515962
  H      -1.879413      4.247600      6.667761
  H      -0.681743      3.964840      3.863395
  H      -0.093872      3.217122      5.375308
  H      -1.280283      1.156483      1.313088
  H      -1.359893      2.856001      1.797600
  H      -1.289605      0.437981      3.686266
  H      -0.022701      1.671748      3.514993
  H      -3.723036      0.155010      6.235175
  H      -3.143032     -0.105924      4.578716
  H      -2.489206      2.228782      6.456316
  H      -1.371789      0.910611      6.005731
  C     -11.763896      2.732920      6.749115
  C     -10.470233      3.191964      7.396061
  O     -10.221584      4.378773      7.614844
  N      -9.615038      2.161237      7.703845
  C      -8.303010      2.219899      8.208659
  C      -7.543546      1.042173      8.161121
  C      -6.222193      1.036254      8.583402
  C      -5.654321      2.212999      9.060080
  F      -4.337228      2.196954      9.387900
  C      -6.385500      3.406985      9.134228
  C      -5.756598      4.700120      9.550801
  O      -4.920154      4.771396     10.440820
  C      -6.142864      5.933961      8.713915
  C      -5.852892      5.607351      7.269978
  C      -6.895452      5.273875      6.381383
  C      -6.590581      4.645599      5.180360
  N      -5.324050      4.413284      4.819631
  C      -4.301494      4.844230      5.615972
  C      -4.525763      5.435000      6.867191
  C      -7.724436      3.388301      8.709578
  C       2.490557     -2.689572      7.453945
  C       1.366855     -2.774014      6.439214
  O       0.486913     -1.922126      6.343544
  N       1.433400     -3.895926      5.637554
  C       0.592705     -4.268888      4.574323
  C       1.054798     -5.265849      3.695648
  C       0.279547     -5.679693      2.618349
  C      -0.954124     -5.076970      2.405626
  F      -1.699054     -5.499440      1.348705
  C      -1.455236     -4.096279      3.265589
  C      -2.784850     -3.421298      3.096630
  O      -3.417730     -3.078339      4.086033
  C      -3.277221     -3.113809      1.681382
  C      -3.950343     -1.767013      1.637423
  C      -5.341503     -1.631275      1.579924
  C      -5.871867     -0.342773      1.668169
  N      -5.143553      0.763180      1.821465
  C      -3.788733      0.646039      1.893137
  C      -3.167309     -0.621488      1.759661
  C      -0.671858     -3.708874      4.364448
  C      -7.462032     -7.186407     12.611267
  C      -7.569574     -7.379567     11.110669
  O      -7.723757     -8.481804     10.588850
  N      -7.477863     -6.202117     10.398237
  C      -7.535374     -5.996776      9.009839
  C      -7.706369     -7.038742      8.078176
  C      -7.751681     -6.740427      6.719976
  C      -7.630138     -5.426981      6.284675
  F      -7.683229     -5.213219      4.943083
  C      -7.459514     -4.360873      7.180591
  C      -7.317275     -2.904963      6.828027
  O      -7.175250     -2.081571      7.726976
  C      -7.337847     -2.493352      5.365882
  C      -7.186014     -1.016789      5.135502
  C      -8.288546     -0.181192      4.903478
  C      -8.028845      1.154774      4.589007
  N      -6.813888      1.701967      4.533380
  C      -5.742306      0.921479      4.829556
  C      -5.915581     -0.462302      5.104526
  C      -7.415623     -4.685140      8.545055
  H     -11.561683      2.209533      5.802528
  H     -12.308791      2.039416      7.406351
  H     -12.388542      3.608913      6.550403
  H      -9.914168      1.231601      7.420363
  H      -7.963440      0.121970      7.754311
  H      -5.635123      0.120997      8.509057
  H      -5.542560      6.771846      9.091267
  H      -7.208098      6.173698      8.848001
  H      -7.937658      5.419978      6.662167
  H      -7.361989      4.275477      4.506630
  H      -3.695593      5.662518      7.536766
  H      -8.319054      4.295324      8.739840
  H       3.468258     -2.635074      6.952329
  H       2.347812     -1.791461      8.062137
  H       2.497765     -3.573677      8.108253
  H       2.244721     -4.492504      5.776302
  H       2.035209     -5.719488      3.856779
  H       0.623074     -6.460611      1.940115
  H      -2.434809     -3.158975      0.977592
  H      -3.975231     -3.918043      1.395325
  H      -5.993073     -2.501122      1.489562
  H      -6.955737     -0.193059      1.623498
  H      -2.083329     -0.724587      1.829912
  H      -1.058585     -2.950310      5.039610
  H      -7.545017     -8.162619     13.098119
  H      -6.498926     -6.727670     12.879926
  H      -8.261620     -6.527600     12.981133
  H      -7.348482     -5.356976     10.948663
  H      -7.800768     -8.063331      8.427192
  H      -7.882522     -7.531522      5.981239
  H      -8.261406     -2.879420      4.906273
  H      -6.518737     -3.041270      4.868924
  H      -9.310282     -0.565657      4.919746
  H      -8.862611      1.828993      4.357152
  H      -5.056820     -1.119870      5.226354
  H      -7.281372     -3.853815      9.241149
  N      -4.783551      4.107817      2.120063
  H      -5.535882      4.792897      2.186887
  H      -4.731815      3.697538      1.187470
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.924219377433
  N      -3.164096      4.466248      4.981538
  Mo     -3.970584      3.150224      3.595305
  N      -4.522863      1.520365      4.799601
  C      -3.441882      0.685455      5.322110
  C      -2.241112      1.538160      5.672765
  N      -1.821216      2.317791      4.488172
  C      -1.005290      3.502007      4.830018
  C      -1.857953      4.510965      5.584531
  C      -1.116104      1.478317      3.488804
  C      -1.659076      1.831564      2.106863
  N      -3.105088      1.820854      2.155894
  H      -1.400155      5.513651      5.508073
  H      -1.907548      4.263671      6.661675
  H      -0.672639      3.942037      3.878429
  H      -0.109021      3.210682      5.406601
  H      -1.254011      1.147594      1.340902
  H      -1.321972      2.845195      1.830481
  H      -1.317551      0.423214      3.714249
  H      -0.026881      1.635139      3.565286
  H      -3.765456      0.168168      6.241622
  H      -3.163010     -0.101461      4.594083
  H      -2.523811      2.240920      6.467275
  H      -1.407339      0.913966      6.042818
  C     -11.706456      2.643050      6.745235
  C     -10.434627      3.129635      7.415049
  O     -10.220533      4.320662      7.647710
  N      -9.558200      2.118606      7.726856
  C      -8.248203      2.205424      8.231644
  C      -7.466527      1.041992      8.184895
  C      -6.145075      1.061268      8.605996
  C      -5.597398      2.249611      9.076621
  F      -4.279357      2.258230      9.400457
  C      -6.348959      3.430885      9.145643
  C      -5.739479      4.737167      9.548824
  O      -4.901297      4.828854     10.435634
  C      -6.135350      5.959637      8.698292
  C      -5.850593      5.630682      7.253359
  C      -6.894921      5.300991      6.365749
  C      -6.592866      4.665478      5.167774
  N      -5.327532      4.424703      4.808789
  C      -4.302254      4.862895      5.596117
  C      -4.524517      5.454870      6.847887
  C      -7.690142      3.385733      8.727816
  C       2.366124     -2.725932      7.543328
  C       1.260305     -2.804368      6.508708
  O       0.382668     -1.951216      6.402571
  N       1.339661     -3.921892      5.702117
  C       0.518255     -4.285759      4.620748
  C       0.996574     -5.274495      3.741379
  C       0.241001     -5.679294      2.646782
  C      -0.988960     -5.074790      2.417799
  F      -1.715103     -5.488502      1.344329
  C      -1.505785     -4.101773      3.277129
  C      -2.832414     -3.425843      3.089807
  O      -3.483938     -3.092795      4.070514
  C      -3.299123     -3.104971      1.668699
  C      -3.958189     -1.751236      1.623030
  C      -5.347895     -1.602206      1.558186
  C      -5.866786     -0.309329      1.648203
  N      -5.128765      0.789178      1.807641
  C      -3.775153      0.660340      1.885192
  C      -3.165121     -0.613549      1.752441
  C      -0.742631     -3.724330      4.393710
  C      -7.330999     -7.176058     12.579340
  C      -7.475433     -7.368601     11.081730
  O      -7.648074     -8.470257     10.564417
  N      -7.394285     -6.191844     10.366814
  C      -7.484309     -5.986344      8.980089
  C      -7.683747     -7.027596      8.053345
  C      -7.759870     -6.729899      6.696295
  C      -7.641290     -5.417277      6.257919
  F      -7.724165     -5.203275      4.917801
  C      -7.443064     -4.351782      7.148985
  C      -7.300568     -2.897359      6.792181
  O      -7.122150     -2.075793      7.686239
  C      -7.361181     -2.483927      5.331157
  C      -7.208953     -1.007724      5.098176
  C      -8.308749     -0.172708      4.850043
  C      -8.044717      1.162502      4.534330
  N      -6.829372      1.709633      4.494299
  C      -5.761165      0.930236      4.805321
  C      -5.938432     -0.452528      5.080485
  C      -7.368165     -4.675401      8.512322
  H     -11.476110      2.135417      5.796238
  H     -12.241976      1.927284      7.386132
  H     -12.351349      3.504333      6.547052
  H      -9.828064      1.184833      7.427450
  H      -7.871350      0.114231      7.780232
  H      -5.544618      0.154409      8.533312
  H      -5.537265      6.802266      9.068780
  H      -7.200920      6.196317      8.836100
  H      -7.936563      5.451250      6.646377
  H      -7.364703      4.290524      4.497037
  H      -3.693269      5.683687      7.515747
  H      -8.302093      4.280879      8.760413
  H       3.352757     -2.669138      7.059680
  H       2.212666     -1.831019      8.153644
  H       2.362388     -3.613474      8.193085
  H       2.148080     -4.520002      5.850709
  H       1.974481     -5.728543      3.916339
  H       0.597115     -6.454175      1.968131
  H      -2.447106     -3.154846      0.977065
  H      -4.000582     -3.900595      1.367196
  H      -6.007546     -2.465266      1.461511
  H      -6.949286     -0.150714      1.600798
  H      -2.082610     -0.726868      1.829219
  H      -1.141559     -2.972142      5.068854
  H      -7.407421     -8.152189     13.067492
  H      -6.359656     -6.722174     12.825898
  H      -8.117880     -6.513255     12.968935
  H      -7.247383     -5.347245     10.913659
  H      -7.775510     -8.051196      8.406047
  H      -7.912582     -7.520697      5.961458
  H      -8.297850     -2.866836      4.896134
  H      -6.558775     -3.034498      4.810137
  H      -9.330740     -0.557129      4.851903
  H      -8.875813      1.835364      4.289284
  H      -5.082209     -1.110225      5.218028
  H      -7.212102     -3.844704      9.204542
  N      -4.819303      4.090657      2.113383
  H      -5.573115      4.773561      2.185213
  H      -4.795625      3.658276      1.189339
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.925243525103
  N      -3.178551      4.491213      4.972128
  Mo     -3.996890      3.152477      3.606488
  N      -4.554147      1.526970      4.813253
  C      -3.480367      0.692693      5.352298
  C      -2.280636      1.543664      5.709971
  N      -1.845147      2.310930      4.524182
  C      -1.026589      3.493609      4.859182
  C      -1.878012      4.519429      5.591129
  C      -1.140454      1.461186      3.534854
  C      -1.659254      1.824381      2.146517
  N      -3.106018      1.829150      2.175730
  H      -1.404136      5.514587      5.512782
  H      -1.946120      4.282602      6.669522
  H      -0.679763      3.919252      3.906057
  H      -0.137612      3.206298      5.449691
  H      -1.250980      1.139023      1.383609
  H      -1.307305      2.835089      1.878141
  H      -1.362717      0.409313      3.755242
  H      -0.049447      1.599052      3.626041
  H      -3.816581      0.182285      6.271057
  H      -3.195849     -0.098867      4.631614
  H      -2.568883      2.254329      6.495692
  H      -1.454308      0.918718      6.095837
  C     -11.569707      2.594444      6.578383
  C     -10.336702      3.096969      7.306943
  O     -10.158767      4.288098      7.568750
  N      -9.452256      2.099439      7.638562
  C      -8.158725      2.205123      8.179994
  C      -7.358935      1.053188      8.149529
  C      -6.049108      1.089315      8.605430
  C      -5.529598      2.284088      9.091282
  F      -4.219964      2.309943      9.446743
  C      -6.299633      3.454804      9.143651
  C      -5.717086      4.771231      9.553581
  O      -4.893675      4.880141     10.452238
  C      -6.133125      5.987682      8.702748
  C      -5.857310      5.657074      7.256983
  C      -6.906270      5.325010      6.376332
  C      -6.609675      4.680981      5.181597
  N      -5.346308      4.434478      4.820297
  C      -4.315890      4.883127      5.594246
  C      -4.533340      5.479194      6.845071
  C      -7.630495      3.391482      8.694350
  C       2.251118     -2.759097      7.613058
  C       1.155800     -2.832678      6.566828
  O       0.279812     -1.978224      6.455044
  N       1.242110     -3.947160      5.756550
  C       0.432689     -4.303460      4.663542
  C       0.920457     -5.285996      3.782195
  C       0.176748     -5.682568      2.676349
  C      -1.050197     -5.075333      2.438103
  F      -1.764711     -5.480992      1.353743
  C      -1.576038     -4.107956      3.298437
  C      -2.899417     -3.429058      3.099821
  O      -3.563418     -3.103858      4.074850
  C      -3.347859     -3.095419      1.675284
  C      -3.991967     -1.734199      1.630507
  C      -5.380404     -1.571151      1.564875
  C      -5.886492     -0.273233      1.658668
  N      -5.136936      0.817202      1.820467
  C      -3.784532      0.675360      1.898115
  C      -3.187527     -0.604995      1.763188
  C      -0.825490     -3.739866      4.426787
  C      -7.145335     -7.206518     12.543506
  C      -7.341662     -7.389865     11.050514
  O      -7.538621     -8.487760     10.533349
  N      -7.277894     -6.209575     10.339413
  C      -7.414271     -5.995817      8.957576
  C      -7.651923     -7.030946      8.032656
  C      -7.772201     -6.725813      6.680314
  C      -7.660155     -5.411371      6.245176
  F      -7.786033     -5.189189      4.909793
  C      -7.425208     -4.351881      7.134540
  C      -7.285153     -2.896884      6.780266
  O      -7.059408     -2.082763      7.670779
  C      -7.398711     -2.473541      5.324566
  C      -7.245981     -0.996955      5.093821
  C      -8.343427     -0.160365      4.839460
  C      -8.074805      1.174882      4.524103
  N      -6.858722      1.720455      4.492080
  C      -5.793380      0.939216      4.809731
  C      -5.974959     -0.442699      5.083202
  C      -7.305903     -4.683062      8.493025
  H     -11.289364      2.111198      5.629803
  H     -12.112872      1.853238      7.183088
  H     -12.226822      3.444364      6.371108
  H      -9.687953      1.166312      7.308965
  H      -7.740455      0.121543      7.731095
  H      -5.437946      0.188311      8.545976
  H      -5.541541      6.838036      9.066305
  H      -7.200174      6.213534      8.849336
  H      -7.946684      5.476010      6.661736
  H      -7.383988      4.297382      4.518113
  H      -3.699180      5.712154      7.508086
  H      -8.256275      4.277658      8.716020
  H       3.242841     -2.700900      7.139779
  H       2.091839     -1.866492      8.225409
  H       2.240737     -3.649280      8.259348
  H       2.048355     -4.546949      5.910205
  H       1.896460     -5.741348      3.965125
  H       0.540055     -6.452925      1.996170
  H      -2.489862     -3.150868      0.991556
  H      -4.055356     -3.881419      1.362558
  H      -6.049033     -2.427076      1.465518
  H      -6.967702     -0.104276      1.614098
  H      -2.106200     -0.729186      1.841746
  H      -1.231445     -2.992501      5.103223
  H      -7.210879     -8.185140     13.028472
  H      -6.163610     -6.759395     12.760095
  H      -7.914752     -6.541539     12.963456
  H      -7.107562     -5.368805     10.885433
  H      -7.737933     -8.055680      8.383897
  H      -7.954478     -7.511943      5.947076
  H      -8.352420     -2.849186      4.921425
  H      -6.618797     -3.024757      4.770562
  H      -9.365956     -0.543467      4.831775
  H      -8.903377      1.848372      4.272081
  H      -5.121389     -1.102293      5.227643
  H      -7.120822     -3.857094      9.183890
  N      -4.865042      4.080273      2.127304
  H      -5.621161      4.759822      2.206139
  H      -4.861264      3.636939      1.207973
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.926209032194
  N      -3.184159      4.512300      4.953631
  Mo     -4.005434      3.151036      3.605525
  N      -4.568522      1.524885      4.811109
  C      -3.502493      0.694069      5.369807
  C      -2.307700      1.546786      5.739275
  N      -1.855357      2.303822      4.554662
  C      -1.037416      3.486464      4.886469
  C      -1.891959      4.526924      5.593318
  C      -1.146215      1.446205      3.576754
  C      -1.636501      1.819843      2.180916
  N      -3.083632      1.837499      2.185429
  H      -1.404259      5.515455      5.515862
  H      -1.982028      4.299602      6.672027
  H      -0.673750      3.898427      3.933600
  H      -0.157808      3.204794      5.493992
  H      -1.221073      1.134397      1.422073
  H      -1.271526      2.828593      1.923049
  H      -1.387712      0.396984      3.789074
  H      -0.054568      1.566961      3.686164
  H      -3.852909      0.188663      6.285671
  H      -3.207815     -0.101562      4.657825
  H      -2.605916      2.263851      6.515551
  H      -1.488928      0.922732      6.143071
  C     -11.523914      2.524159      6.582597
  C     -10.306761      3.048987      7.322273
  O     -10.164308      4.239263      7.608730
  N      -9.393393      2.071779      7.635692
  C      -8.099336      2.205771      8.169241
  C      -7.274511      1.071276      8.133575
  C      -5.965879      1.132585      8.591831
  C      -5.471991      2.336172      9.082630
  F      -4.164551      2.388361      9.443667
  C      -6.265636      3.491168      9.134250
  C      -5.707235      4.818535      9.541814
  O      -4.891052      4.945526     10.444278
  C      -6.139598      6.022995      8.681738
  C      -5.865714      5.681217      7.238337
  C      -6.915332      5.339436      6.362949
  C      -6.618920      4.684367      5.173952
  N      -5.355891      4.435652      4.814091
  C      -4.324079      4.898222      5.577787
  C      -4.542114      5.502425      6.824749
  C      -7.594608      3.402459      8.683806
  C       2.137376     -2.800024      7.684516
  C       1.056220     -2.865389      6.623137
  O       0.182856     -2.008990      6.504999
  N       1.152158     -3.974662      5.806656
  C       0.359174     -4.321443      4.698417
  C       0.860401     -5.296606      3.816296
  C       0.133563     -5.683676      2.695910
  C      -1.089308     -5.073990      2.443801
  F      -1.787299     -5.470703      1.345469
  C      -1.628264     -4.113520      3.303835
  C      -2.947648     -3.432035      3.088596
  O      -3.629485     -3.116567      4.054633
  C      -3.370013     -3.083061      1.659325
  C      -3.998942     -1.714655      1.615698
  C      -5.385690     -1.537754      1.544131
  C      -5.879611     -0.235313      1.643142
  N      -5.119375      0.846457      1.813147
  C      -3.768747      0.690995      1.895564
  C      -3.183697     -0.594432      1.757304
  C      -0.895424     -3.755722      4.447182
  C      -7.022343     -7.208996     12.516521
  C      -7.256175     -7.390461     11.028715
  O      -7.477096     -8.486341     10.516540
  N      -7.197311     -6.211078     10.315686
  C      -7.364918     -5.996308      8.937378
  C      -7.635883     -7.029336      8.018944
  C      -7.785598     -6.723523      6.669686
  C      -7.670189     -5.410269      6.231324
  F      -7.826191     -5.186721      4.899474
  C      -7.402293     -4.353154      7.114063
  C      -7.253736     -2.900322      6.754984
  O      -6.997165     -2.088126      7.639192
  C      -7.414355     -2.474174      5.304269
  C      -7.262168     -0.998479      5.068944
  C      -8.357180     -0.164000      4.798165
  C      -8.084800      1.170676      4.479831
  N      -6.869270      1.717611      4.461038
  C      -5.807300      0.937234      4.793800
  C      -5.991432     -0.443181      5.069540
  C      -7.254053     -4.685034      8.469580
  H     -11.228596      2.072211      5.623186
  H     -12.042472      1.751860      7.169825
  H     -12.208476      3.356881      6.394774
  H      -9.600519      1.139469      7.284253
  H      -7.636482      0.132620      7.712271
  H      -5.338629      0.242668      8.530862
  H      -5.556302      6.883591      9.034615
  H      -7.208661      6.237836      8.831277
  H      -7.955490      5.490508      6.649350
  H      -7.393060      4.289649      4.516491
  H      -3.707612      5.745192      7.483974
  H      -8.239122      4.275463      8.709614
  H       3.135381     -2.739436      7.224775
  H       1.970713     -1.911474      8.300874
  H       2.117676     -3.694675      8.324484
  H       1.955583     -4.576513      5.967001
  H       1.833530     -5.753496      4.010688
  H       0.507096     -6.448593      2.015013
  H      -2.502281     -3.142210      0.988389
  H      -4.081663     -3.858402      1.329878
  H      -6.062416     -2.386462      1.437884
  H      -6.959098     -0.055464      1.597803
  H      -2.103949     -0.729196      1.841242
  H      -1.311690     -3.014149      5.123814
  H      -7.086487     -8.186842     13.003367
  H      -6.031118     -6.772091     12.709797
  H      -7.774850     -6.536065     12.954228
  H      -7.005402     -5.371920     10.857070
  H      -7.724137     -8.052843      8.373378
  H      -7.993864     -7.508016      5.941568
  H      -8.381832     -2.845593      4.931205
  H      -6.653802     -3.027180      4.725269
  H      -9.379088     -0.548133      4.776297
  H      -8.910298      1.841962      4.212464
  H      -5.139577     -1.101999      5.226884
  H      -7.043294     -3.860931      9.155381
  N      -4.873121      4.076120      2.125252
  H      -5.630491      4.753787      2.209871
  H      -4.880737      3.630546      1.206952
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.927120830645
  N      -3.187534      4.531253      4.938257
  Mo     -4.007486      3.149397      3.605888
  N      -4.578791      1.520548      4.809178
  C      -3.521997      0.694674      5.390480
  C      -2.333391      1.550222      5.772626
  N      -1.863171      2.297364      4.590263
  C      -1.046481      3.480005      4.920998
  C      -1.905707      4.533491      5.601498
  C      -1.147312      1.433211      3.624389
  C      -1.605506      1.817639      2.220369
  N      -3.051904      1.848690      2.198111
  H      -1.405452      5.515896      5.527933
  H      -2.020133      4.313894      6.679375
  H      -0.664279      3.878191      3.969595
  H      -0.177950      3.204242      5.547134
  H      -1.181532      1.131556      1.466986
  H      -1.227761      2.824336      1.973770
  H      -1.407880      0.386649      3.826276
  H      -0.055976      1.536998      3.754438
  H      -3.887310      0.195032      6.303469
  H      -3.215362     -0.106766      4.690199
  H      -2.643327      2.273842      6.538277
  H      -1.523079      0.927419      6.195746
  C     -11.481710      2.447398      6.573601
  C     -10.279940      2.993131      7.322914
  O     -10.168230      4.182187      7.627043
  N      -9.341457      2.035631      7.623803
  C      -8.050865      2.197175      8.158031
  C      -7.202943      1.079515      8.127758
  C      -5.897133      1.169008      8.591002
  C      -5.430516      2.383662      9.080954
  F      -4.126708      2.464575      9.450003
  C      -6.247380      3.522511      9.124742
  C      -5.712399      4.861176      9.528905
  O      -4.906875      5.004635     10.437704
  C      -6.154822      6.053514      8.656515
  C      -5.877166      5.701102      7.216266
  C      -6.925034      5.349230      6.343618
  C      -6.626038      4.683085      5.161270
  N      -5.362511      4.433025      4.806000
  C      -4.331519      4.909705      5.562157
  C      -4.552790      5.523821      6.803622
  C      -7.571660      3.406295      8.669204
  C       2.019741     -2.857014      7.746959
  C       0.952188     -2.909774      6.671385
  O       0.084042     -2.048954      6.548091
  N       1.053739     -4.013640      5.848346
  C       0.275560     -4.348182      4.725931
  C       0.786029     -5.318513      3.843807
  C       0.074110     -5.694038      2.710101
  C      -1.142219     -5.077540      2.444492
  F      -1.826052     -5.463872      1.333724
  C      -1.689980     -4.121157      3.303589
  C      -3.002716     -3.432645      3.071463
  O      -3.703159     -3.126361      4.027260
  C      -3.395286     -3.065561      1.637958
  C      -4.004135     -1.688112      1.597620
  C      -5.388552     -1.493653      1.522237
  C      -5.867023     -0.186262      1.629885
  N      -5.093219      0.884127      1.809157
  C      -3.744767      0.711213      1.893632
  C      -3.174460     -0.579639      1.748884
  C      -0.973035     -3.775463      4.460618
  C      -6.881344     -7.198148     12.493621
  C      -7.149368     -7.381034     11.011950
  O      -7.382507     -8.477229     10.505802
  N      -7.106023     -6.202659     10.296431
  C      -7.304744     -5.989309      8.922102
  C      -7.597106     -7.022983      8.010783
  C      -7.777135     -6.717951      6.665216
  C      -7.670950     -5.405037      6.223176
  F      -7.856914     -5.182646      4.895136
  C      -7.382511     -4.347531      7.098786
  C      -7.239448     -2.895114      6.735642
  O      -6.948554     -2.085191      7.611155
  C      -7.437785     -2.468910      5.289948
  C      -7.279706     -0.995419      5.047312
  C      -8.369316     -0.160787      4.758255
  C      -8.089904      1.171738      4.435236
  N      -6.873746      1.716865      4.428217
  C      -5.817720      0.934987      4.778036
  C      -6.007384     -0.442774      5.059565
  C      -7.203642     -4.678792      8.450681
  H     -11.173803      2.022280      5.606154
  H     -11.977104      1.649684      7.146575
  H     -12.190714      3.262783      6.400769
  H      -9.521959      1.104835      7.253313
  H      -7.543961      0.131218      7.708952
  H      -5.251147      0.292449      8.536296
  H      -5.581460      6.924041      9.001099
  H      -7.226168      6.257499      8.804307
  H      -7.965454      5.500659      6.628742
  H      -7.398681      4.277986      4.508439
  H      -3.719599      5.778496      7.460010
  H      -8.234189      4.266041      8.690358
  H       3.023451     -2.796596      7.299939
  H       1.848872     -1.972767      8.368270
  H       1.988165     -3.756671      8.379241
  H       1.852296     -4.620301      6.014800
  H       1.754217     -5.780861      4.049131
  H       0.454269     -6.455526      2.029073
  H      -2.517203     -3.130171      0.981449
  H      -4.113195     -3.826744      1.289977
  H      -6.075097     -2.333368      1.409222
  H      -6.944040      0.007942      1.586271
  H      -2.096804     -0.727656      1.836451
  H      -1.396117     -3.037275      5.136719
  H      -6.934855     -8.175178     12.983297
  H      -5.885646     -6.761808     12.663421
  H      -7.623631     -6.524338     12.946986
  H      -6.901587     -5.362982     10.832416
  H      -7.677767     -8.046086      8.367976
  H      -8.002184     -7.502827      5.942597
  H      -8.418020     -2.833097      4.944858
  H      -6.696084     -3.027365      4.691499
  H      -9.391372     -0.543031      4.724235
  H      -8.910421      1.843027      4.153201
  H      -5.158409     -1.101931      5.230224
  H      -6.976515     -3.854489      9.130955
  N      -4.859143      4.082985      2.124729
  H      -5.615705      4.761018      2.216473
  H      -4.869577      3.645621      1.202618
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.927957518415
  N      -3.193876      4.548295      4.917358
  Mo     -4.012551      3.145803      3.603114
  N      -4.586516      1.513571      4.805851
  C      -3.535669      0.696284      5.407495
  C      -2.353386      1.557740      5.797482
  N      -1.870923      2.295833      4.616090
  C      -1.056601      3.480151      4.943410
  C      -1.920623      4.544060      5.599831
  C      -1.148565      1.426607      3.661030
  C      -1.579660      1.818501      2.250029
  N      -3.024593      1.860386      2.206179
  H      -1.412180      5.522217      5.528182
  H      -2.054730      4.332337      6.676902
  H      -0.660177      3.865275      3.992565
  H      -0.197032      3.211906      5.585133
  H      -1.148504      1.130553      1.502624
  H      -1.192105      2.823265      2.011715
  H      -1.424216      0.382308      3.853875
  H      -0.058093      1.516947      3.808496
  H      -3.911327      0.202802      6.319699
  H      -3.217202     -0.111952      4.720270
  H      -2.674303      2.287222      6.553090
  H      -1.549151      0.938118      6.237164
  C     -11.429290      2.376450      6.553889
  C     -10.243607      2.942550      7.312896
  O     -10.160256      4.130646      7.628980
  N      -9.284793      2.002967      7.608401
  C      -8.001067      2.187472      8.151868
  C      -7.135140      1.083822      8.133582
  C      -5.833098      1.199010      8.602804
  C      -5.389822      2.424410      9.087013
  F      -4.089172      2.531154      9.461174
  C      -6.226276      3.548943      9.120309
  C      -5.712034      4.898352      9.518429
  O      -4.917355      5.058020     10.433361
  C      -6.164717      6.077774      8.633649
  C      -5.886431      5.715653      7.195670
  C      -6.934421      5.350496      6.329292
  C      -6.635099      4.673447      5.153136
  N      -5.371621      4.424395      4.798519
  C      -4.340535      4.917682      5.543813
  C      -4.562395      5.543146      6.779589
  C      -7.545039      3.407704      8.659060
  C       1.916980     -2.895985      7.795621
  C       0.862205     -2.939346      6.707164
  O      -0.004893     -2.078149      6.580798
  N       0.973754     -4.036178      5.876184
  C       0.210038     -4.360749      4.741217
  C       0.731042     -5.324250      3.857909
  C       0.032661     -5.690585      2.712927
  C      -1.179939     -5.071683      2.437108
  F      -1.851130     -5.449821      1.316008
  C      -1.737312     -4.121124      3.296592
  C      -3.046416     -3.430887      3.051776
  O      -3.763361     -3.136340      3.998883
  C      -3.414596     -3.047574      1.615710
  C      -4.007026     -1.662679      1.581239
  C      -5.389914     -1.454381      1.510278
  C      -5.856129     -0.144036      1.629948
  N      -5.070702      0.916901      1.813976
  C      -3.723383      0.730478      1.891063
  C      -3.164904     -0.564045      1.736645
  C      -1.034678     -3.785023      4.464913
  C      -6.789871     -7.197244     12.481126
  C      -7.085300     -7.380682     11.004875
  O      -7.334577     -8.475722     10.504315
  N      -7.047103     -6.203609     10.287145
  C      -7.268457     -5.990586      8.916428
  C      -7.583317     -7.022961      8.011162
  C      -7.784897     -6.717340      6.668984
  C      -7.678136     -5.405551      6.223669
  F      -7.887184     -5.183295      4.899164
  C      -7.366669     -4.349618      7.093098
  C      -7.217401     -2.898699      6.726715
  O      -6.906727     -2.091140      7.597290
  C      -7.452468     -2.470810      5.287081
  C      -7.290011     -0.998837      5.037371
  C      -8.376452     -0.165002      4.735582
  C      -8.093450      1.164905      4.405147
  N      -6.877113      1.709422      4.403169
  C      -5.824604      0.928136      4.766520
  C      -6.016836     -0.447528      5.055019
  C      -7.166898     -4.681444      8.441840
  H     -11.108737      1.973360      5.581335
  H     -11.903958      1.558350      7.115325
  H     -12.159657      3.174714      6.390521
  H      -9.440916      1.074339      7.221333
  H      -7.457322      0.126172      7.720933
  H      -5.168477      0.336060      8.559005
  H      -5.601126      6.958160      8.969021
  H      -7.238064      6.270196      8.781693
  H      -7.974494      5.499351      6.616579
  H      -7.407963      4.256898      4.507963
  H      -3.729155      5.812307      7.429986
  H      -8.222040      4.255981      8.670531
  H       2.925322     -2.830155      7.360240
  H       1.738377     -2.018068      8.423565
  H       1.878368     -3.801872      8.418286
  H       1.770213     -4.644351      6.047072
  H       1.696140     -5.789031      4.071382
  H       0.420298     -6.447238      2.030833
  H      -2.528385     -3.115367      0.971001
  H      -4.137794     -3.796092      1.252112
  H      -6.084020     -2.287288      1.394993
  H      -6.931146      0.061897      1.594744
  H      -2.088596     -0.722356      1.821199
  H      -1.465469     -3.051802      5.141558
  H      -6.841050     -8.172739     12.973927
  H      -5.788403     -6.767473     12.631831
  H      -7.519998     -6.517867     12.945515
  H      -6.828162     -5.364551     10.818297
  H      -7.664574     -8.045338      8.370028
  H      -8.027875     -7.501042      5.951025
  H      -8.444500     -2.828075      4.970113
  H      -6.729549     -3.033794      4.670169
  H      -9.398466     -0.546436      4.696455
  H      -8.911075      1.835532      4.113456
  H      -5.168796     -1.105182      5.234134
  H      -6.921788     -3.858427      9.117322
  N      -4.844486      4.093385      2.121250
  H      -5.598502      4.773400      2.220391
  H      -4.853202      3.667874      1.193792
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.928708574566
  N      -3.200252      4.561878      4.906499
  Mo     -4.014123      3.143607      3.605092
  N      -4.596049      1.508869      4.805673
  C      -3.552996      0.699605      5.429119
  C      -2.376581      1.565321      5.829162
  N      -1.879575      2.294869      4.649961
  C      -1.067329      3.480152      4.977024
  C      -1.936865      4.553001      5.609729
  C      -1.149248      1.419856      3.707090
  C      -1.550195      1.818533      2.288510
  N      -2.993213      1.874138      2.220134
  H      -1.421493      5.527665      5.541356
  H      -2.090953      4.348504      6.685425
  H      -0.655585      3.853856      4.028246
  H      -0.217988      3.217354      5.634587
  H      -1.111688      1.127377      1.548581
  H      -1.149937      2.820188      2.058831
  H      -1.440768      0.378176      3.891349
  H      -0.060526      1.496693      3.874755
  H      -3.940302      0.211849      6.339736
  H      -3.222071     -0.115146      4.755432
  H      -2.708517      2.300102      6.575003
  H      -1.579174      0.948371      6.285085
  C     -11.370355      2.309229      6.518371
  C     -10.202643      2.895500      7.289324
  O     -10.150518      4.081407      7.619685
  N      -9.222893      1.975260      7.578381
  C      -7.948704      2.181792      8.136136
  C      -7.064713      1.093025      8.129530
  C      -5.768958      1.233222      8.609139
  C      -5.350080      2.468070      9.091104
  F      -4.053581      2.598444      9.472618
  C      -6.206331      3.577808      9.114506
  C      -5.718390      4.938779      9.509648
  O      -4.935611      5.116879     10.431096
  C      -6.181386      6.103295      8.610840
  C      -5.900960      5.730187      7.176215
  C      -6.947158      5.353005      6.313204
  C      -6.644627      4.666133      5.143563
  N      -5.379952      4.416801      4.793129
  C      -4.350927      4.924872      5.531227
  C      -4.576454      5.561425      6.760682
  C      -7.518310      3.411116      8.644265
  C       1.783380     -2.958944      7.851342
  C       0.745199     -2.985153      6.746426
  O      -0.116984     -2.119738      6.617239
  N       0.866371     -4.072146      5.903939
  C       0.119803     -4.381577      4.753453
  C       0.651999     -5.337707      3.868948
  C      -0.029244     -5.690886      2.709706
  C      -1.235699     -5.066220      2.420932
  F      -1.891099     -5.432580      1.286743
  C      -1.803685     -4.122070      3.280663
  C      -3.107525     -3.427891      3.020320
  O      -3.843443     -3.146057      3.956675
  C      -3.445017     -3.023131      1.582088
  C      -4.016183     -1.629035      1.556973
  C      -5.396419     -1.401487      1.487781
  C      -5.846129     -0.087552      1.623571
  N      -5.045773      0.960086      1.819129
  C      -3.700570      0.755164      1.890911
  C      -3.158127     -0.544375      1.722868
  C      -1.118754     -3.799131      4.463119
  C      -6.677655     -7.187455     12.477083
  C      -6.990486     -7.375690     11.004987
  O      -7.237684     -8.473093     10.509068
  N      -6.969709     -6.199397     10.285253
  C      -7.209096     -5.989984      8.917206
  C      -7.527577     -7.025499      8.016974
  C      -7.747627     -6.722465      6.677200
  C      -7.655792     -5.410649      6.228805
  F      -7.883199     -5.191961      4.906748
  C      -7.340799     -4.351624      7.093210
  C      -7.204795     -2.900094      6.724089
  O      -6.877206     -2.092061      7.587846
  C      -7.459598     -2.476936      5.286199
  C      -7.295860     -1.006479      5.026968
  C      -8.380298     -0.177627      4.704281
  C      -8.096703      1.149433      4.364347
  N      -6.881653      1.697020      4.372376
  C      -5.832041      0.921447      4.756742
  C      -6.024152     -0.452467      5.054491
  C      -7.122189     -4.680869      8.439650
  H     -11.036566      1.931118      5.540326
  H     -11.822823      1.469428      7.065745
  H     -12.122503      3.089097      6.365552
  H      -9.352990      1.050049      7.173481
  H      -7.366197      0.127831      7.719372
  H      -5.084742      0.385128      8.576806
  H      -5.628751      6.993993      8.937153
  H      -7.256954      6.283860      8.758341
  H      -7.987725      5.500272      6.599201
  H      -7.416045      4.240594      4.502760
  H      -3.744889      5.843615      7.407590
  H      -8.210471      4.246777      8.646864
  H       2.798112     -2.889519      7.431829
  H       1.597416     -2.089235      8.488439
  H       1.732784     -3.873229      8.460560
  H       1.658270     -4.684741      6.080094
  H       1.612131     -5.807740      4.092739
  H       0.366710     -6.442164      2.026503
  H      -2.548927     -3.095218      0.952149
  H      -4.174015     -3.755367      1.197838
  H      -6.100527     -2.224697      1.364829
  H      -6.918156      0.133764      1.594503
  H      -2.084090     -0.717423      1.805893
  H      -1.557940     -3.071187      5.140083
  H      -6.715417     -8.162163     12.972546
  H      -5.677433     -6.750311     12.613629
  H      -7.406937     -6.512531     12.949073
  H      -6.750580     -5.357916     10.812436
  H      -7.597465     -8.048227      8.377130
  H      -7.993833     -7.508516      5.962944
  H      -8.457913     -2.832302      4.987652
  H      -6.747746     -3.044604      4.660948
  H      -9.400927     -0.561820      4.656640
  H      -8.912077      1.815532      4.056400
  H      -5.175457     -1.105394      5.247367
  H      -6.874105     -3.855561      9.111186
  N      -4.816270      4.111600      2.120665
  H      -5.564696      4.797194      2.223196
  H      -4.818610      3.698516      1.187743
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.929403990805
  N      -3.204663      4.571023      4.876753
  Mo     -4.013607      3.137106      3.589697
  N      -4.594264      1.501181      4.794171
  C      -3.552830      0.703165      5.433489
  C      -2.381924      1.576767      5.835120
  N      -1.879035      2.299452      4.654930
  C      -1.071383      3.488738      4.978020
  C      -1.947483      4.565662      5.593033
  C      -1.141444      1.420676      3.721885
  C      -1.521006      1.820868      2.297879
  N      -2.961878      1.885141      2.213725
  H      -1.431302      5.539834      5.524657
  H      -2.113373      4.367867      6.668113
  H      -0.651712      3.853811      4.029456
  H      -0.227660      3.233564      5.645790
  H      -1.077375      1.125442      1.565268
  H      -1.112105      2.819683      2.071430
  H      -1.443034      0.380984      3.901414
  H      -0.054516      1.489659      3.904621
  H      -3.943725      0.221716      6.345866
  H      -3.211664     -0.118045      4.772492
  H      -2.722386      2.315843      6.573073
  H      -1.586264      0.965595      6.301924
  C     -11.331519      2.234960      6.541539
  C     -10.170862      2.842636      7.306439
  O     -10.140229      4.028923      7.637978
  N      -9.172903      1.940261      7.589610
  C      -7.904372      2.167683      8.151767
  C      -7.008380      1.088857      8.165288
  C      -5.716967      1.252645      8.649022
  C      -5.313959      2.499536      9.112851
  F      -4.020028      2.650020      9.496313
  C      -6.183042      3.598874      9.117214
  C      -5.712553      4.971235      9.494926
  O      -4.941452      5.170936     10.421676
  C      -6.185158      6.118915      8.580193
  C      -5.907080      5.735073      7.148066
  C      -6.953458      5.342137      6.292412
  C      -6.650371      4.646214      5.128385
  N      -5.385086      4.400476      4.776599
  C      -4.357202      4.925985      5.503830
  C      -4.583341      5.573664      6.727828
  C      -7.490809      3.409022      8.644820
  C       1.677665     -2.976406      7.897720
  C       0.657200     -2.995857      6.776085
  O      -0.207759     -2.133916      6.642381
  N       0.796814     -4.073885      5.924969
  C       0.067817     -4.376616      4.761712
  C       0.614530     -5.325054      3.877892
  C      -0.050608     -5.672944      2.707705
  C      -1.255450     -5.050408      2.407577
  F      -1.896284     -5.412705      1.263840
  C      -1.836700     -4.112840      3.265768
  C      -3.140220     -3.422997      2.993179
  O      -3.891820     -3.155641      3.921044
  C      -3.457833     -3.005789      1.553305
  C      -4.014111     -1.605309      1.534326
  C      -5.392988     -1.364472      1.476498
  C      -5.830695     -0.048726      1.626964
  N      -5.018416      0.989584      1.823946
  C      -3.674225      0.772699      1.879151
  C      -3.143688     -0.530354      1.698867
  C      -1.168168     -3.795382      4.458827
  C      -6.646646     -7.194831     12.473868
  C      -6.969731     -7.383302     11.003869
  O      -7.222358     -8.480165     10.509958
  N      -6.950832     -6.207078     10.283812
  C      -7.197769     -5.997308      8.917286
  C      -7.524826     -7.031675      8.019069
  C      -7.752057     -6.727532      6.680747
  C      -7.659072     -5.416199      6.231428
  F      -7.894904     -5.197466      4.910860
  C      -7.334626     -4.358183      7.093793
  C      -7.194106     -2.906903      6.724602
  O      -6.861980     -2.100668      7.587852
  C      -7.464277     -2.482537      5.289740
  C      -7.295257     -1.013301      5.025149
  C      -8.377715     -0.185752      4.691034
  C      -8.092740      1.138084      4.342286
  N      -6.877084      1.684832      4.351097
  C      -5.829265      0.912397      4.746735
  C      -6.023392     -0.459923      5.054924
  C      -7.109284     -4.688492      8.438882
  H     -10.997377      1.869633      5.558841
  H     -11.760635      1.382478      7.087958
  H     -12.101745      2.998889      6.398729
  H      -9.286167      1.014396      7.180479
  H      -7.296764      0.113558      7.769675
  H      -5.017004      0.416816      8.637436
  H      -5.640875      7.018490      8.896212
  H      -7.262339      6.290166      8.728753
  H      -7.994034      5.484209      6.581036
  H      -7.421528      4.209563      4.494851
  H      -3.751683      5.870869      7.367790
  H      -8.193661      4.235595      8.632958
  H       2.698351     -2.895596      7.495110
  H       1.476202     -2.115620      8.542155
  H       1.622766     -3.898460      8.494621
  H       1.588616     -4.684693      6.107610
  H       1.572927     -5.794159      4.110819
  H       0.356171     -6.418857      2.024997
  H      -2.555623     -3.081381      0.933087
  H      -4.190975     -3.727042      1.156587
  H      -6.104408     -2.181439      1.354746
  H      -6.900578      0.182856      1.612143
  H      -2.070784     -0.713488      1.773427
  H      -1.617882     -3.073081      5.134874
  H      -6.683292     -8.169024     12.970386
  H      -5.644475     -6.759937     12.602724
  H      -7.371148     -6.517848     12.950180
  H      -6.726592     -5.365948     10.809356
  H      -7.596169     -8.054470      8.378681
  H      -8.005246     -7.512594      5.967821
  H      -8.469539     -2.831947      5.007707
  H      -6.765584     -3.055616      4.655050
  H      -9.398269     -0.570165      4.641888
  H      -8.906075      1.801939      4.024385
  H      -5.174776     -1.110787      5.253776
  H      -6.853787     -3.864192      9.108860
  N      -4.789314      4.129465      2.106749
  H      -5.531177      4.821289      2.213892
  H      -4.787612      3.728061      1.168935
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.930080368846
  N      -3.209891      4.577709      4.858628
  Mo     -4.012531      3.132329      3.580415
  N      -4.597747      1.498768      4.789195
  C      -3.560595      0.709524      5.445654
  C      -2.394123      1.587885      5.850901
  N      -1.881873      2.302320      4.670046
  C      -1.077415      3.494298      4.990693
  C      -1.959533      4.575968      5.588364
  C      -1.137178      1.416666      3.749090
  C      -1.492001      1.817351      2.318963
  N      -2.930607      1.894713      2.215857
  H      -1.441882      5.549381      5.519552
  H      -2.137064      4.385688      6.662853
  H      -0.648699      3.851683      4.043282
  H      -0.240145      3.244423      5.668614
  H      -1.044462      1.115661      1.594877
  H      -1.070114      2.811412      2.095461
  H      -1.451420      0.379960      3.925338
  H      -0.052623      1.476110      3.949365
  H      -3.957882      0.235156      6.359200
  H      -3.211041     -0.117382      4.795912
  H      -2.741846      2.331864      6.580654
  H      -1.601616      0.981313      6.329021
  C     -11.271632      2.160978      6.537334
  C     -10.123592      2.790847      7.303668
  O     -10.118924      3.976676      7.638770
  N      -9.105884      1.909595      7.581492
  C      -7.845032      2.159753      8.150916
  C      -6.933868      1.093675      8.179505
  C      -5.648322      1.281613      8.669439
  C      -5.265245      2.538633      9.123753
  F      -3.975374      2.709449      9.512315
  C      -6.149870      3.625166      9.113561
  C      -5.705934      5.009128      9.480630
  O      -4.942776      5.231925     10.408936
  C      -6.193191      6.139243      8.552127
  C      -5.918218      5.743496      7.123169
  C      -6.963573      5.337729      6.272277
  C      -6.657877      4.633890      5.113691
  N      -5.391298      4.389549      4.763669
  C      -4.365514      4.929422      5.483437
  C      -4.594583      5.586785      6.701899
  C      -7.452319      3.410987      8.635453
  C       1.531706     -3.007497      7.959101
  C       0.531842     -3.016427      6.818762
  O      -0.333239     -2.155424      6.679861
  N       0.690848     -4.083367      5.957119
  C      -0.017792     -4.376762      4.778859
  C       0.546317     -5.316045      3.896205
  C      -0.098049     -5.656291      2.712219
  C      -1.299928     -5.035033      2.397588
  F      -1.921266     -5.390573      1.240974
  C      -1.898015     -4.106027      3.253509
  C      -3.200381     -3.420104      2.964609
  O      -3.970411     -3.167510      3.881460
  C      -3.491756     -2.985818      1.523578
  C      -4.026993     -1.577023      1.512967
  C      -5.402831     -1.315855      1.460692
  C      -5.822469      0.003454      1.626924
  N      -4.993852      1.027703      1.831434
  C      -3.652251      0.792115      1.874928
  C      -3.140042     -0.516751      1.682620
  C      -1.250297     -3.796051      4.460140
  C      -6.579515     -7.202261     12.467114
  C      -6.908752     -7.391983     10.998438
  O      -7.156439     -8.490162     10.505051
  N      -6.901811     -6.214869     10.279372
  C      -7.156797     -6.005803      8.914179
  C      -7.482249     -7.041534      8.017118
  C      -7.718098     -6.737895      6.680028
  C      -7.635130     -5.425884      6.230943
  F      -7.879828     -5.207878      4.911839
  C      -7.312154     -4.366342      7.092198
  C      -7.181093     -2.914005      6.723208
  O      -6.849048     -2.106557      7.585334
  C      -7.459245     -2.491214      5.289298
  C      -7.292115     -1.022434      5.020849
  C      -8.374721     -0.200775      4.670652
  C      -8.091997      1.121040      4.313634
  N      -6.877835      1.671777      4.328753
  C      -5.830682      0.906950      4.740351
  C      -6.023203     -0.464098      5.058504
  C      -7.078231     -4.696081      8.436019
  H     -10.931531      1.811570      5.550804
  H     -11.678079      1.293716      7.077756
  H     -12.060185      2.907542      6.402865
  H      -9.199179      0.983147      7.168456
  H      -7.206859      0.111169      7.790475
  H      -4.932992      0.458577      8.673483
  H      -5.657976      7.048240      8.856742
  H      -7.271638      6.301000      8.704286
  H      -8.004824      5.476291      6.560455
  H      -7.426999      4.188032      4.484158
  H      -3.763979      5.896046      7.337542
  H      -8.168067      4.226210      8.613874
  H       2.559369     -2.916543      7.576765
  H       1.314162     -2.156477      8.611285
  H       1.470288     -3.938034      8.542094
  H       1.481225     -4.693740      6.147164
  H       1.502152     -5.784505      4.140980
  H       0.322393     -6.395380      2.030326
  H      -2.581807     -3.067437      0.915889
  H      -4.229721     -3.692246      1.109583
  H      -6.125410     -2.122118      1.333573
  H      -6.888921      0.249766      1.620383
  H      -2.069591     -0.715754      1.752383
  H      -1.712911     -3.080425      5.134627
  H      -6.607217     -8.177149     12.962921
  H      -5.579588     -6.760691     12.591006
  H      -7.305696     -6.530290     12.948042
  H      -6.680798     -5.372597     10.804441
  H      -7.545956     -8.065140      8.375952
  H      -7.970431     -7.523942      5.967815
  H      -8.467110     -2.840990      5.016280
  H      -6.767083     -3.066217      4.649479
  H      -9.393312     -0.589793      4.615375
  H      -8.904807      1.779095      3.982568
  H      -5.173427     -1.109929      5.268950
  H      -6.823826     -3.870728      9.105167
  N      -4.759789      4.147565      2.096897
  H      -5.492154      4.849549      2.202281
  H      -4.752956      3.753258      1.156065
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.930808832678
  N      -3.213024      4.580071      4.835937
  Mo     -4.008324      3.127702      3.561048
  N      -4.598646      1.499071      4.777993
  C      -3.565002      0.716982      5.448570
  C      -2.401894      1.599263      5.855622
  N      -1.881231      2.306211      4.673798
  C      -1.080249      3.500883      4.992683
  C      -1.968756      4.585051      5.576379
  C      -1.128603      1.413519      3.765955
  C      -1.458893      1.811720      2.330030
  N      -2.894556      1.902926      2.209612
  H      -1.451700      5.558795      5.506502
  H      -2.154883      4.401377      6.650503
  H      -0.644348      3.853132      4.046634
  H      -0.248296      3.255420      5.678766
  H      -1.009198      1.101449      1.615730
  H      -1.023141      2.799747      2.106355
  H      -1.454539      0.379984      3.940665
  H      -0.046884      1.465028      3.983899
  H      -3.966756      0.250148      6.364181
  H      -3.210341     -0.114667      4.807495
  H      -2.755071      2.347623      6.578284
  H      -1.611615      0.997057      6.342881
  C     -11.218342      2.067874      6.564700
  C     -10.076640      2.724512      7.318607
  O     -10.095972      3.911035      7.651677
  N      -9.037973      1.866835      7.589968
  C      -7.782811      2.143041      8.159507
  C      -6.856867      1.089393      8.206575
  C      -5.576472      1.303202      8.698662
  C      -5.212192      2.571944      9.136719
  F      -3.926386      2.764030      9.528322
  C      -6.110982      3.645882      9.107919
  C      -5.693152      5.041286      9.459413
  O      -4.937767      5.289244     10.388140
  C      -6.197977      6.153850      8.519107
  C      -5.927254      5.748261      7.092770
  C      -6.971139      5.331471      6.245515
  C      -6.662290      4.622766      5.090740
  N      -5.394475      4.379717      4.742461
  C      -4.371151      4.930712      5.457012
  C      -4.603618      5.596001      6.670827
  C      -7.408986      3.406250      8.626959
  C       1.367382     -3.030359      8.035216
  C       0.393063     -3.029595      6.872804
  O      -0.473498     -2.171106      6.726389
  N       0.576770     -4.084264      6.001079
  C      -0.107231     -4.369610      4.806209
  C       0.478321     -5.299422      3.927424
  C      -0.140931     -5.633656      2.728359
  C      -1.339814     -5.015825      2.395440
  F      -1.937527     -5.366715      1.224894
  C      -1.958742     -4.095876      3.246220
  C      -3.260560     -3.416582      2.937970
  O      -4.051185     -3.181101      3.841659
  C      -3.526062     -2.967777      1.495823
  C      -4.039199     -1.550657      1.492595
  C      -5.411468     -1.267537      1.446930
  C      -5.811195      0.055734      1.628479
  N      -4.964687      1.064719      1.838625
  C      -3.626172      0.809306      1.867478
  C      -3.134677     -0.506092      1.665039
  C      -1.335814     -3.791345      4.467474
  C      -6.512628     -7.212136     12.451307
  C      -6.848531     -7.400938     10.983820
  O      -7.089025     -8.500152     10.489013
  N      -6.855454     -6.221836     10.267740
  C      -7.118931     -6.011609      8.904161
  C      -7.442064     -7.047717      8.006780
  C      -7.687167     -6.743093      6.671355
  C      -7.615347     -5.429626      6.224699
  F      -7.869272     -5.210313      4.907557
  C      -7.294758     -4.369521      7.086359
  C      -7.174686     -2.915635      6.719299
  O      -6.845589     -2.107287      7.581844
  C      -7.457023     -2.492679      5.286394
  C      -7.290585     -1.024407      5.015752
  C      -8.372792     -0.206805      4.652161
  C      -8.090543      1.113004      4.288091
  N      -6.876846      1.665492      4.307144
  C      -5.830607      0.906400      4.731152
  C      -6.023842     -0.462901      5.059516
  C      -7.051641     -4.700219      8.428368
  H     -10.881178      1.728239      5.573708
  H     -11.597311      1.189621      7.107402
  H     -12.025537      2.796240      6.441166
  H      -9.114671      0.936033      7.183151
  H      -7.117603      0.098361      7.830130
  H      -4.847908      0.491949      8.720819
  H      -5.671078      7.071438      8.812626
  H      -7.277209      6.307273      8.676548
  H      -8.013342      5.465497      6.532983
  H      -7.428702      4.169269      4.463367
  H      -3.774065      5.914984      7.303154
  H      -8.136817      4.210472      8.593609
  H       2.402990     -2.926994      7.678013
  H       1.128994     -2.190290      8.694380
  H       1.299761     -3.969800      8.603225
  H       1.365744     -4.693205      6.201230
  H       1.431338     -5.765682      4.187433
  H       0.296467     -6.365736      2.049500
  H      -2.608903     -3.056582      0.900423
  H      -4.268588     -3.659592      1.065715
  H      -6.146546     -2.061738      1.315697
  H      -6.873755      0.317176      1.631671
  H      -2.067013     -0.722270      1.728567
  H      -1.814231     -3.082380      5.138113
  H      -6.529435     -8.188789     12.944263
  H      -5.515744     -6.762294     12.570816
  H      -7.241105     -6.547354     12.938881
  H      -6.638681     -5.379061     10.793774
  H      -7.497037     -8.072609      8.363557
  H      -7.938157     -7.529365      5.958820
  H      -8.467063     -2.841846      5.019328
  H      -6.770982     -3.069397      4.641770
  H      -9.389974     -0.599048      4.591979
  H      -8.902308      1.766870      3.946338
  H      -5.174232     -1.105653      5.280491
  H      -6.799098     -3.874521      9.097892
  N      -4.722521      4.170637      2.077531
  H      -5.443130      4.885275      2.177252
  H      -4.710767      3.781502      1.134526
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.931607482502
  N      -3.217303      4.582687      4.819242
  Mo     -4.000202      3.126638      3.539866
  N      -4.596872      1.504910      4.767508
  C      -3.566894      0.729663      5.452358
  C      -2.408328      1.615915      5.862883
  N      -1.877929      2.315429      4.680586
  C      -1.082316      3.513466      4.999496
  C      -1.979743      4.598126      5.570245
  C      -1.114100      1.414757      3.789284
  C      -1.416261      1.808097      2.346705
  N      -2.848378      1.914948      2.205626
  H      -1.465448      5.573393      5.499264
  H      -2.173759      4.420508      6.643998
  H      -0.639393      3.863233      4.055718
  H      -0.255699      3.272487      5.693616
  H      -0.964540      1.087662      1.643832
  H      -0.964871      2.788913      2.122239
  H      -1.451269      0.384382      3.963114
  H      -0.036216      1.459888      4.027691
  H      -3.973840      0.270275      6.369376
  H      -3.208135     -0.104927      4.817532
  H      -2.767709      2.368094      6.578394
  H      -1.620437      1.018390      6.359719
  C     -11.158374      1.954168      6.593357
  C     -10.024219      2.638994      7.334470
  O     -10.069158      3.825641      7.666173
  N      -8.961881      1.808789      7.596125
  C      -7.712987      2.115574      8.163331
  C      -6.768225      1.077866      8.227141
  C      -5.493559      1.321203      8.719767
  C      -5.152740      2.602014      9.142617
  F      -3.872062      2.820258      9.536486
  C      -6.069008      3.659680      9.096827
  C      -5.683247      5.066109      9.434522
  O      -4.934886      5.340686     10.362122
  C      -6.211967      6.161723      8.486775
  C      -5.944177      5.750260      7.062214
  C      -6.984126      5.323627      6.215194
  C      -6.668480      4.613641      5.062871
  N      -5.398709      4.373490      4.718608
  C      -4.379517      4.933439      5.432388
  C      -4.619358      5.603807      6.642428
  C      -7.362070      3.391068      8.613548
  C       1.173800     -3.073725      8.118179
  C       0.228015     -3.056026      6.932460
  O      -0.636713     -2.196434      6.779720
  N       0.434866     -4.095793      6.048333
  C      -0.222022     -4.367908      4.834964
  C       0.384743     -5.289061      3.961249
  C      -0.206152     -5.613679      2.745339
  C      -1.398864     -4.995351      2.391265
  F      -1.969858     -5.338846      1.205069
  C      -2.038768     -4.083757      3.235347
  C      -3.337619     -3.408199      2.904830
  O      -4.150803     -3.189956      3.792641
  C      -3.573356     -2.941646      1.462666
  C      -4.057120     -1.514071      1.469608
  C      -5.423811     -1.201527      1.428997
  C      -5.796687      0.127148      1.628576
  N      -4.927003      1.115192      1.847230
  C      -3.593272      0.833079      1.861548
  C      -3.130092     -0.490764      1.648551
  C      -1.443321     -3.787315      4.472770
  C      -6.438081     -7.205259     12.443472
  C      -6.773906     -7.397200     10.976200
  O      -6.999869     -8.499547     10.480899
  N      -6.798463     -6.217537     10.261136
  C      -7.066754     -6.009710      8.897790
  C      -7.379499     -7.049365      8.000708
  C      -7.630713     -6.747693      6.665450
  C      -7.574554     -5.433164      6.219434
  F      -7.834021     -5.215669      4.903145
  C      -7.264539     -4.369517      7.080792
  C      -7.161051     -2.914631      6.712903
  O      -6.845806     -2.101548      7.576706
  C      -7.441317     -2.494820      5.278931
  C      -7.281090     -1.026870      5.004451
  C      -8.364178     -0.216898      4.623792
  C      -8.084465      1.102095      4.254129
  N      -6.872970      1.659964      4.280635
  C      -5.826680      0.909516      4.719615
  C      -6.018599     -0.458051      5.057974
  C      -7.015460     -4.697296      8.422497
  H     -10.824727      1.626023      5.597253
  H     -11.507365      1.064066      7.137051
  H     -11.984944      2.662771      6.482949
  H      -9.019785      0.872790      7.198073
  H      -7.015306      0.078561      7.862454
  H      -4.751854      0.522279      8.756498
  H      -5.694903      7.088091      8.770599
  H      -7.291770      6.305375      8.651223
  H      -8.028259      5.450543      6.499809
  H      -7.429802      4.153182      4.434245
  H      -3.792465      5.930616      7.274513
  H      -8.103952      4.182197      8.569679
  H       2.217937     -2.960773      7.789318
  H       0.915710     -2.245913      8.785559
  H       1.096370     -4.023215      8.668300
  H       1.219290     -4.707129      6.258845
  H       1.332268     -5.756534      4.239300
  H       0.248249     -6.339336      2.070603
  H      -2.649099     -3.040615      0.880232
  H      -4.322570     -3.614301      1.014317
  H      -6.175859     -1.978424      1.290539
  H      -6.853772      0.408470      1.641350
  H      -2.066798     -0.730126      1.707010
  H      -1.936953     -3.083232      5.137934
  H      -6.440943     -8.182989     12.934814
  H      -5.447151     -6.741827     12.562161
  H      -7.173912     -6.550658     12.934077
  H      -6.592145     -5.372417     10.787653
  H      -7.421891     -8.074956      8.357519
  H      -7.874183     -7.536756      5.953251
  H      -8.450003     -2.848618      5.011062
  H      -6.754503     -3.070418      4.634158
  H      -9.378466     -0.615406      4.555571
  H      -8.896082      1.749735      3.900298
  H      -5.169063     -1.095905      5.293986
  H      -6.771225     -3.868839      9.091881
  N      -4.678806      4.196259      2.054014
  H      -5.386806      4.924978      2.139629
  H      -4.658369      3.808012      1.110611
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.932406741536
  N      -3.220241      4.579152      4.799206
  Mo     -3.992089      3.121944      3.512176
  N      -4.595022      1.508284      4.755362
  C      -3.568980      0.737415      5.451797
  C      -2.413704      1.626396      5.863982
  N      -1.874090      2.318057      4.680852
  C      -1.083320      3.519050      4.999209
  C      -1.988475      4.604681      5.558157
  C      -1.099664      1.409343      3.806498
  C      -1.374768      1.796718      2.357754
  N      -2.802675      1.919863      2.197618
  H      -1.476338      5.581030      5.484722
  H      -2.188436      4.433331      6.631889
  H      -0.633812      3.866396      4.057565
  H      -0.261620      3.282631      5.700757
  H      -0.923179      1.065103      1.666241
  H      -0.907922      2.769796      2.131263
  H      -1.447102      0.382049      3.979523
  H      -0.025770      1.448909      4.063995
  H      -3.980942      0.285807      6.370210
  H      -3.209295     -0.100135      4.821769
  H      -2.777656      2.382723      6.572552
  H      -1.628627      1.032567      6.369803
  C     -11.106666      1.840797      6.651034
  C      -9.975893      2.554109      7.370587
  O     -10.043803      3.740459      7.700873
  N      -8.889103      1.751983      7.616690
  C      -7.643349      2.090690      8.172321
  C      -6.679157      1.070065      8.248238
  C      -5.407284      1.342798      8.732723
  C      -5.088895      2.635270      9.137667
  F      -3.812166      2.881968      9.527251
  C      -6.023433      3.675451      9.079587
  C      -5.667156      5.090928      9.403098
  O      -4.920854      5.389828     10.325375
  C      -6.221681      6.170170      8.450641
  C      -5.957379      5.750973      7.027965
  C      -6.994082      5.314906      6.182229
  C      -6.672956      4.604022      5.031439
  N      -5.402104      4.366319      4.689812
  C      -4.385683      4.932415      5.403423
  C      -4.631786      5.608232      6.609606
  C      -7.313326      3.378475      8.601293
  C       0.972351     -3.097944      8.210174
  C       0.056722     -3.071152      7.001201
  O      -0.814074     -2.218515      6.841214
  N       0.297421     -4.092924      6.105205
  C      -0.327302     -4.354836      4.872716
  C       0.306919     -5.264057      4.005681
  C      -0.251885     -5.581736      2.772854
  C      -1.440434     -4.968685      2.395700
  F      -1.980736     -5.307330      1.193630
  C      -2.106370     -4.068086      3.231194
  C      -3.403988     -3.401648      2.877711
  O      -4.237352     -3.198445      3.749913
  C      -3.615175     -2.922382      1.435835
  C      -4.072494     -1.485821      1.451349
  C      -5.433462     -1.145970      1.418205
  C      -5.780823      0.187453      1.635180
  N      -4.889226      1.155453      1.858628
  C      -3.560335      0.848569      1.854988
  C      -3.124654     -0.482364      1.633178
  C      -1.542333     -3.777412      4.484893
  C      -6.356710     -7.211798     12.419273
  C      -6.700506     -7.401957     10.953623
  O      -6.917257     -8.505379     10.455848
  N      -6.742827     -6.220255     10.242767
  C      -7.022095     -6.010631      8.881603
  C      -7.332426     -7.050573      7.983778
  C      -7.595649     -6.747918      6.650876
  C      -7.553126     -5.431447      6.208584
  F      -7.824341     -5.211526      4.895254
  C      -7.245839     -4.367588      7.070717
  C      -7.156305     -2.911493      6.704844
  O      -6.846954     -2.097318      7.570484
  C      -7.438166     -2.490855      5.271972
  C      -7.279944     -1.023510      4.994213
  C      -8.361807     -0.217258      4.601102
  C      -8.080435      1.100492      4.226938
  N      -6.869511      1.659761      4.257662
  C      -5.824441      0.913500      4.707639
  C      -6.019096     -0.451709      5.054430
  C      -6.984986     -4.696468      8.409954
  H     -10.783543      1.522150      5.648419
  H     -11.422428      0.940866      7.199080
  H     -11.952252      2.529333      6.558291
  H      -8.930675      0.810484      7.229682
  H      -6.915559      0.062654      7.898579
  H      -4.654434      0.554507      8.777649
  H      -5.712963      7.104682      8.723141
  H      -7.301383      6.305246      8.623121
  H      -8.039653      5.435436      6.465177
  H      -7.430091      4.137848      4.401861
  H      -3.806833      5.941686      7.241011
  H      -8.068580      4.156669      8.549619
  H       2.023301     -2.966163      7.910930
  H       0.686338     -2.285174      8.884760
  H       0.893984     -4.057816      8.742187
  H       1.081205     -4.701184      6.326860
  H       1.250202     -5.728213      4.303507
  H       0.223947     -6.298741      2.103536
  H      -2.685835     -3.030533      0.863370
  H      -4.370553     -3.578444      0.973801
  H      -6.201888     -1.905847      1.275815
  H      -6.832259      0.486785      1.660916
  H      -2.065662     -0.742645      1.685298
  H      -2.055552     -3.080502      5.143219
  H      -6.345712     -8.191656     12.906421
  H      -5.370061     -6.737890     12.533447
  H      -7.095659     -6.566853     12.918150
  H      -6.541791     -5.374875     10.770949
  H      -7.363678     -8.077317      8.338715
  H      -7.837961     -7.537223      5.938474
  H      -8.447244     -2.845400      5.005144
  H      -6.753278     -3.065811      4.624435
  H      -9.374779     -0.618084      4.527438
  H      -8.890649      1.745497      3.864949
  H      -5.172023     -1.088533      5.301942
  H      -6.743073     -3.867804      9.080062
  N      -4.628561      4.219734      2.024074
  H      -5.320921      4.964955      2.093253
  H      -4.601659      3.831664      1.080544
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.933229758550
  N      -3.223008      4.576449      4.781751
  Mo     -3.979188      3.113804      3.489188
  N      -4.583178      1.507561      4.752788
  C      -3.559202      0.744904      5.461196
  C      -2.409601      1.640403      5.873079
  N      -1.863582      2.323086      4.687691
  C      -1.081057      3.530311      5.002044
  C      -1.996189      4.616099      5.547267
  C      -1.077546      1.407306      3.830839
  C      -1.327805      1.787094      2.375444
  N      -2.751911      1.923313      2.195700
  H      -1.488417      5.594444      5.469080
  H      -2.200853      4.452270      6.621356
  H      -0.626696      3.873895      4.061304
  H      -0.263091      3.303259      5.711084
  H      -0.875189      1.045584      1.695202
  H      -0.848459      2.753672      2.147515
  H      -1.432169      0.382186      4.003107
  H      -0.007784      1.444317      4.105872
  H      -3.975492      0.300444      6.380777
  H      -3.195781     -0.095840      4.837860
  H      -2.780140      2.401297      6.573074
  H      -1.626307      1.052965      6.389264
  C     -11.055540      1.733194      6.691081
  C      -9.933915      2.474180      7.396336
  O     -10.024771      3.660437      7.722152
  N      -8.825980      1.699042      7.633995
  C      -7.585760      2.069243      8.181956
  C      -6.602386      1.067270      8.272428
  C      -5.334955      1.369588      8.752232
  C      -5.041104      2.673352      9.138745
  F      -3.769728      2.950874      9.525552
  C      -5.994255      3.695002      9.064806
  C      -5.665723      5.119368      9.371992
  O      -4.925484      5.442818     10.291209
  C      -6.242276      6.179769      8.410797
  C      -5.975649      5.750010      6.991423
  C      -7.007139      5.300212      6.146948
  C      -6.678383      4.585572      5.000008
  N      -5.406064      4.353046      4.662188
  C      -4.393442      4.929366      5.375713
  C      -4.648383      5.612822      6.576242
  C      -7.278699      3.369128      8.589879
  C       0.800640     -3.124608      8.268024
  C      -0.093604     -3.089231      7.043486
  O      -0.972713     -2.245151      6.882518
  N       0.176665     -4.091434      6.134372
  C      -0.422103     -4.342202      4.886779
  C       0.235240     -5.238637      4.023331
  C      -0.296779     -5.547319      2.776606
  C      -1.481798     -4.938383      2.381947
  F      -1.996249     -5.270392      1.166665
  C      -2.169532     -4.049363      3.212128
  C      -3.465346     -3.389337      2.840788
  O      -4.315413     -3.199547      3.699955
  C      -3.656869     -2.897900      1.400240
  C      -4.085340     -1.452537      1.428044
  C      -5.439459     -1.083982      1.405090
  C      -5.759675      0.252928      1.643437
  N      -4.845642      1.198345      1.873820
  C      -3.522606      0.864917      1.850650
  C      -3.115535     -0.471333      1.614809
  C      -1.632057     -3.767176      4.479625
  C      -6.307851     -7.219552     12.415099
  C      -6.653579     -7.408972     10.949928
  O      -6.862032     -8.513254     10.450021
  N      -6.707480     -6.226205     10.241830
  C      -6.991282     -6.015524      8.881638
  C      -7.297848     -7.055701      7.982605
  C      -7.566390     -6.752466      6.650915
  C      -7.532436     -5.434713      6.211207
  F      -7.808997     -5.213487      4.899418
  C      -7.228994     -4.370681      7.074559
  C      -7.148287     -2.913781      6.710406
  O      -6.848979     -2.098751      7.579297
  C      -7.427103     -2.492848      5.277901
  C      -7.267863     -1.026429      4.995695
  C      -8.347513     -0.225003      4.587324
  C      -8.064637      1.090937      4.207636
  N      -6.854933      1.652154      4.242785
  C      -5.811103      0.910923      4.705586
  C      -6.008035     -0.451663      5.063067
  C      -6.963039     -4.700333      8.412619
  H     -10.735652      1.421464      5.685294
  H     -11.343584      0.826030      7.242657
  H     -11.917965      2.401839      6.607945
  H      -8.850823      0.752563      7.258175
  H      -6.825570      0.052104      7.936553
  H      -4.570965      0.592476      8.806528
  H      -5.743754      7.123295      8.671193
  H      -7.322475      6.304969      8.586595
  H      -8.054305      5.413752      6.427258
  H      -7.430627      4.111759      4.370352
  H      -3.826910      5.956812      7.206703
  H      -8.046847      4.133737      8.527016
  H       1.854748     -2.972365      7.990242
  H       0.490793     -2.328076      8.951464
  H       0.727505     -4.094673      8.782185
  H       0.961867     -4.695839      6.361670
  H       1.175085     -5.700172      4.335874
  H       0.196959     -6.254897      2.110179
  H      -2.725373     -3.016545      0.833680
  H      -4.421562     -3.535097      0.927624
  H      -6.224983     -1.825043      1.257819
  H      -6.804401      0.571600      1.684656
  H      -2.061622     -0.753001      1.659790
  H      -2.161847     -3.078704      5.133825
  H      -6.287618     -8.200546     12.899712
  H      -5.324883     -6.737717     12.528279
  H      -7.050722     -6.581815     12.917491
  H      -6.511803     -5.380546     10.771598
  H      -7.321993     -8.083083      8.336387
  H      -7.806301     -7.542013      5.937957
  H      -8.436079     -2.846729      5.009352
  H      -6.742015     -3.068285      4.630991
  H      -9.358901     -0.628335      4.506835
  H      -8.873172      1.732501      3.835613
  H      -5.163348     -1.087401      5.322663
  H      -6.724270     -3.871597      9.083790
  N      -4.579977      4.231455      1.998901
  H      -5.259177      4.989958      2.053455
  H      -4.546942      3.843435      1.055283
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.934187381898
  N      -3.229015      4.569761      4.769684
  Mo     -3.966312      3.104070      3.463179
  N      -4.566390      1.504068      4.757417
  C      -3.542979      0.749129      5.474306
  C      -2.399599      1.652130      5.882488
  N      -1.849128      2.325849      4.694481
  C      -1.078610      3.540964      5.004056
  C      -2.005374      4.624283      5.537838
  C      -1.049808      1.406702      3.855474
  C      -1.276361      1.778529      2.393544
  N      -2.695633      1.926086      2.196008
  H      -1.503324      5.605154      5.454376
  H      -2.211731      4.465910      6.612589
  H      -0.621331      3.882208      4.063889
  H      -0.262934      3.327124      5.719923
  H      -0.823567      1.027185      1.724406
  H      -0.787460      2.739577      2.163581
  H      -1.407440      0.382404      4.025081
  H       0.016006      1.444495      4.145451
  H      -3.963104      0.310172      6.394067
  H      -3.176848     -0.094482      4.856914
  H      -2.777534      2.417524      6.573160
  H      -1.618054      1.071729      6.409641
  C     -11.004170      1.620281      6.723743
  C      -9.894978      2.385409      7.420446
  O     -10.008281      3.569720      7.745636
  N      -8.766738      1.636041      7.649122
  C      -7.532349      2.038322      8.188090
  C      -6.526558      1.059819      8.286089
  C      -5.262882      1.392726      8.758863
  C      -4.998513      2.706070      9.131047
  F      -3.733681      3.021369      9.512169
  C      -5.974855      3.704827      9.047759
  C      -5.672779      5.136444      9.343709
  O      -4.937130      5.479495     10.259261
  C      -6.271801      6.179444      8.376429
  C      -5.997551      5.740542      6.959845
  C      -7.022768      5.278629      6.115514
  C      -6.685742      4.563065      4.970371
  N      -5.412989      4.337135      4.635430
  C      -4.404076      4.919571      5.352111
  C      -4.668643      5.608685      6.547970
  C      -7.252410      3.349185      8.579587
  C       0.670145     -3.141494      8.293915
  C      -0.214466     -3.104724      7.062822
  O      -1.112014     -2.278897      6.909372
  N       0.087066     -4.082321      6.137623
  C      -0.491660     -4.323282      4.879130
  C       0.187688     -5.202802      4.014915
  C      -0.323544     -5.502211      2.757737
  C      -1.509113     -4.901570      2.352629
  F      -2.002666     -5.227559      1.127209
  C      -2.217087     -4.027720      3.182135
  C      -3.513705     -3.376421      2.801355
  O      -4.374828     -3.200016      3.652546
  C      -3.696535     -2.871711      1.364753
  C      -4.094309     -1.417340      1.409707
  C      -5.440389     -1.019070      1.402768
  C      -5.732168      0.319729      1.667779
  N      -4.795042      1.240544      1.903719
  C      -3.478554      0.880063      1.851731
  C      -3.101406     -0.459441      1.598847
  C      -1.700326     -3.754834      4.460242
  C      -6.302462     -7.217538     12.430219
  C      -6.643183     -7.407903     10.964481
  O      -6.842719     -8.513173     10.462938
  N      -6.704082     -6.225412     10.257280
  C      -6.986210     -6.014953      8.896877
  C      -7.286831     -7.055863      7.996454
  C      -7.554498     -6.753069      6.664930
  C      -7.525213     -5.434649      6.226150
  F      -7.801397     -5.213648      4.914604
  C      -7.227617     -4.370164      7.090814
  C      -7.151958     -2.913213      6.727228
  O      -6.867696     -2.097084      7.600635
  C      -7.420454     -2.493726      5.294000
  C      -7.254920     -1.029090      5.004434
  C      -8.329898     -0.232049      4.579548
  C      -8.043025      1.081608      4.195347
  N      -6.834759      1.643554      4.234743
  C      -5.792473      0.905183      4.709832
  C      -5.993783     -0.453755      5.078812
  C      -6.962868     -4.699688      8.429077
  H     -10.684151      1.319529      5.714921
  H     -11.266478      0.704919      7.274743
  H     -11.883132      2.268067      6.649591
  H      -8.775011      0.686440      7.281100
  H      -6.733564      0.038431      7.959799
  H      -4.488592      0.626056      8.812912
  H      -5.784710      7.132151      8.624855
  H      -7.352504      6.292382      8.553057
  H      -8.071059      5.385343      6.393888
  H      -7.434319      4.085267      4.339700
  H      -3.850956      5.962278      7.178062
  H      -8.034823      4.098060      8.509222
  H       1.721818     -2.957650      8.026805
  H       0.335754     -2.365797      8.989550
  H       0.617755     -4.122040      8.790316
  H       0.880171     -4.677057      6.363306
  H       1.127263     -5.658475      4.336167
  H       0.186591     -6.197295      2.090632
  H      -2.768229     -2.999931      0.795537
  H      -4.475588     -3.487640      0.888268
  H      -6.244388     -1.738859      1.252025
  H      -6.768660      0.658355      1.730072
  H      -2.052687     -0.760564      1.632580
  H      -2.245573     -3.078121      5.113754
  H      -6.276388     -8.198397     12.914604
  H      -5.323258     -6.729061     12.546188
  H      -7.051665     -6.585578     12.930268
  H      -6.514989     -5.379071     10.788348
  H      -7.306788     -8.083101      8.350774
  H      -7.790336     -7.543317      5.951573
  H      -8.428196     -2.844600      5.018141
  H      -6.730271     -3.070527      4.653676
  H      -9.340354     -0.635538      4.491887
  H      -8.848934      1.721407      3.814216
  H      -5.153444     -1.090639      5.350354
  H      -6.728918     -3.870652      9.101385
  N      -4.531814      4.237289      1.970623
  H      -5.198310      5.008291      2.010404
  H      -4.495234      3.850699      1.026207
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.935208879006
  N      -3.232357      4.573406      4.754808
  Mo     -3.948076      3.094923      3.444650
  N      -4.537705      1.500382      4.772465
  C      -3.512265      0.759976      5.499349
  C      -2.377557      1.675441      5.901420
  N      -1.826208      2.337732      4.709317
  C      -1.071037      3.564521      5.008221
  C      -2.010917      4.645610      5.525256
  C      -1.015640      1.415776      3.887411
  C      -1.223687      1.778005      2.418170
  N      -2.639258      1.932204      2.204743
  H      -1.516336      5.629463      5.433301
  H      -2.219014      4.495734      6.600960
  H      -0.612013      3.898901      4.066581
  H      -0.257153      3.370341      5.731865
  H      -0.768807      1.018268      1.760462
  H      -0.729265      2.735370      2.185947
  H      -1.374164      0.391459      4.056030
  H       0.047120      1.455954      4.188122
  H      -3.933782      0.325212      6.420210
  H      -3.137127     -0.088067      4.893276
  H      -2.765749      2.446394      6.579981
  H      -1.596753      1.105847      6.441674
  C     -10.955055      1.528511      6.726542
  C      -9.863793      2.320668      7.418252
  O     -10.001775      3.503681      7.736380
  N      -8.719465      1.594967      7.650979
  C      -7.494628      2.026171      8.189834
  C      -6.471410      1.070425      8.304561
  C      -5.214722      1.432521      8.777577
  C      -4.978375      2.754889      9.132273
  F      -3.721758      3.104270      9.512358
  C      -5.975444      3.732468      9.032179
  C      -5.697042      5.173143      9.315583
  O      -4.973592      5.536016     10.232328
  C      -6.309075      6.192574      8.331833
  C      -6.019948      5.737508      6.921931
  C      -7.038052      5.256250      6.080741
  C      -6.691549      4.534572      4.941423
  N      -5.417571      4.317858      4.610142
  C      -4.413621      4.914712      5.326514
  C      -4.689206      5.614204      6.514249
  C      -7.242023      3.347968      8.565058
  C       0.530966     -3.191507      8.313058
  C      -0.346530     -3.141079      7.077647
  O      -1.252919     -2.324076      6.934126
  N      -0.027157     -4.096831      6.136095
  C      -0.591080     -4.321591      4.868269
  C       0.099260     -5.191869      4.003244
  C      -0.396302     -5.477448      2.737305
  C      -1.576696     -4.873624      2.323249
  F      -2.054929     -5.189208      1.089411
  C      -2.294802     -4.007466      3.152580
  C      -3.585796     -3.353430      2.760731
  O      -4.460805     -3.185275      3.600689
  C      -3.748905     -2.834526      1.326737
  C      -4.107156     -1.370605      1.389855
  C      -5.442725     -0.938974      1.394082
  C      -5.703639      0.399663      1.685826
  N      -4.742943      1.291498      1.934161
  C      -3.434741      0.900571      1.858630
  C      -3.088379     -0.441126      1.586214
  C      -1.793506     -3.747366      4.439627
  C      -6.285814     -7.228301     12.450625
  C      -6.613658     -7.420671     10.982592
  O      -6.797584     -8.526930     10.477994
  N      -6.682353     -6.238277     10.276671
  C      -6.956613     -6.028512      8.915092
  C      -7.241825     -7.070464      8.010957
  C      -7.502643     -6.767390      6.678778
  C      -7.481770     -5.448308      6.241396
  F      -7.751681     -5.229036      4.928456
  C      -7.199190     -4.382830      7.109752
  C      -7.132323     -2.924600      6.749581
  O      -6.868673     -2.107821      7.628746
  C      -7.385970     -2.507953      5.314100
  C      -7.217642     -1.043798      5.020444
  C      -8.290099     -0.256047      4.576554
  C      -8.006221      1.056640      4.189840
  N      -6.802195      1.624794      4.236639
  C      -5.759281      0.893803      4.725885
  C      -5.958134     -0.462792      5.106688
  C      -6.941438     -4.712786      8.449204
  H     -10.628790      1.233606      5.718314
  H     -11.194920      0.609108      7.280797
  H     -11.850194      2.153420      6.651347
  H      -8.710913      0.642958      7.289297
  H      -6.657932      0.041697      7.990901
  H      -4.428468      0.679193      8.841562
  H      -5.838623      7.157308      8.565352
  H      -7.391815      6.288378      8.501962
  H      -8.087122      5.355773      6.357804
  H      -7.437341      4.048611      4.314217
  H      -3.877016      5.984100      7.141840
  H      -8.037458      4.080704      8.480882
  H       1.580680     -2.987698      8.053880
  H       0.183288     -2.434668      9.022595
  H       0.488919     -4.182081      8.789530
  H       0.768085     -4.689999      6.358475
  H       1.034217     -5.651638      4.331095
  H       0.121398     -6.165594      2.069081
  H      -2.822393     -2.978900      0.759194
  H      -4.544271     -3.422248      0.842478
  H      -6.265084     -1.635418      1.235288
  H      -6.730060      0.762286      1.763655
  H      -2.046214     -0.763265      1.610458
  H      -2.345758     -3.075809      5.092126
  H      -6.252340     -8.208483     12.935502
  H      -5.312907     -6.729630     12.573335
  H      -7.046687     -6.605306     12.943774
  H      -6.505920     -5.390756     10.810149
  H      -7.255216     -8.098128      8.363920
  H      -7.726952     -7.558444      5.962836
  H      -8.390292     -2.859117      5.028417
  H      -6.685603     -3.083605      4.683991
  H      -9.297134     -0.664515      4.478070
  H      -8.811341      1.690543      3.796952
  H      -5.118173     -1.095447      5.390746
  H      -6.719274     -3.883093      9.124382
  N      -4.489210      4.233354      1.950696
  H      -5.148258      5.011310      1.988828
  H      -4.451514      3.853501      1.003376
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.936210594790
  N      -3.227422      4.559814      4.741824
  Mo     -3.938274      3.081936      3.421096
  N      -4.525682      1.494707      4.781211
  C      -3.499018      0.755467      5.506108
  C      -2.362706      1.671799      5.901327
  N      -1.810435      2.325255      4.706858
  C      -1.061652      3.557236      4.997595
  C      -2.004468      4.638180      5.508252
  C      -0.999338      1.401420      3.892569
  C      -1.197874      1.758781      2.419445
  N      -2.610064      1.923741      2.199341
  H      -1.511839      5.622466      5.409904
  H      -2.209134      4.493326      6.585354
  H      -0.603169      3.886096      4.053888
  H      -0.247270      3.373833      5.723785
  H      -0.748112      0.989773      1.769326
  H      -0.694846      2.710544      2.183849
  H      -1.361790      0.378084      4.060007
  H       0.062656      1.438661      4.196724
  H      -3.917946      0.321068      6.428796
  H      -3.123648     -0.096059      4.904178
  H      -2.752112      2.447782      6.573395
  H      -1.584006      1.104798      6.447553
  C     -10.905540      1.458180      6.746800
  C      -9.827098      2.269626      7.434376
  O      -9.982144      3.451590      7.745963
  N      -8.670026      1.561568      7.663796
  C      -7.449744      2.012422      8.196473
  C      -6.414124      1.074031      8.315366
  C      -5.160601      1.457177      8.781309
  C      -4.942462      2.784331      9.125250
  F      -3.689427      3.155027      9.497015
  C      -5.955249      3.746890      9.021474
  C      -5.691737      5.194858      9.298086
  O      -4.975030      5.569581     10.214250
  C      -6.311914      6.196675      8.302851
  C      -6.015748      5.729852      6.897854
  C      -7.033632      5.244602      6.059146
  C      -6.686555      4.521892      4.920335
  N      -5.413285      4.304521      4.588871
  C      -4.409141      4.899750      5.307692
  C      -4.685774      5.605024      6.491966
  C      -7.215384      3.341678      8.561430
  C       0.344553     -3.177321      8.365519
  C      -0.511277     -3.137684      7.114694
  O      -1.448572     -2.357321      6.968936
  N      -0.133253     -4.059038      6.160599
  C      -0.661065     -4.278661      4.877061
  C       0.068564     -5.121356      4.016907
  C      -0.393154     -5.402618      2.737537
  C      -1.578324     -4.822026      2.304427
  F      -2.023346     -5.136179      1.058196
  C      -2.332239     -3.980491      3.127684
  C      -3.628444     -3.350901      2.717986
  O      -4.516855     -3.196020      3.546392
  C      -3.778190     -2.823671      1.285938
  C      -4.115589     -1.355386      1.365554
  C      -5.444972     -0.905999      1.378820
  C      -5.690669      0.428419      1.696533
  N      -4.717334      1.302515      1.958634
  C      -3.413170      0.898432      1.858364
  C      -3.082896     -0.442458      1.568412
  C      -1.864971     -3.725122      4.428029
  C      -6.254427     -7.248778     12.447370
  C      -6.581974     -7.438738     10.979091
  O      -6.759114     -8.543961     10.470841
  N      -6.660591     -6.254390     10.277901
  C      -6.938558     -6.041363      8.918091
  C      -7.220288     -7.081153      8.010668
  C      -7.485445     -6.773493      6.680875
  C      -7.472380     -5.453124      6.247547
  F      -7.747641     -5.231898      4.936059
  C      -7.193047     -4.389651      7.119298
  C      -7.133038     -2.929230      6.765655
  O      -6.880406     -2.114581      7.649467
  C      -7.381873     -2.511235      5.330578
  C      -7.208322     -1.046689      5.039743
  C      -8.279599     -0.259095      4.595396
  C      -7.996986      1.054073      4.213244
  N      -6.792640      1.620730      4.257809
  C      -5.747371      0.888110      4.742666
  C      -5.947272     -0.467736      5.127136
  C      -6.931161     -4.724044      8.456770
  H     -10.577028      1.169253      5.737737
  H     -11.126995      0.535469      7.302724
  H     -11.813125      2.064831      6.673228
  H      -8.651273      0.609025      7.303996
  H      -6.584501      0.040094      8.010974
  H      -4.363336      0.716518      8.846335
  H      -5.854186      7.170233      8.524562
  H      -7.396011      6.278520      8.469532
  H      -8.081942      5.345546      6.337595
  H      -7.435820      4.039458      4.295032
  H      -3.874363      5.979005      7.117810
  H      -8.021385      4.061591      8.471830
  H       1.388110     -2.921957      8.129017
  H      -0.047965     -2.452006      9.084320
  H       0.337054     -4.178649      8.820102
  H       0.677609     -4.628061      6.389401
  H       1.005925     -5.564708      4.359330
  H       0.153494     -6.070941      2.072512
  H      -2.852149     -2.974241      0.720020
  H      -4.581526     -3.394461      0.795378
  H      -6.276442     -1.588895      1.210744
  H      -6.710727      0.802865      1.787948
  H      -2.043724     -0.772982      1.581659
  H      -2.446276     -3.073768      5.075569
  H      -6.213214     -8.229499     12.930164
  H      -5.285152     -6.743665     12.570053
  H      -7.020472     -6.633209     12.941377
  H      -6.489242     -5.407544     10.814021
  H      -7.227703     -8.110093      8.359561
  H      -7.707741     -7.562637      5.962391
  H      -8.386420     -2.858924      5.042732
  H      -6.679361     -3.086018      4.702581
  H      -9.286465     -0.666670      4.494802
  H      -8.802796      1.689630      3.824066
  H      -5.107758     -1.101487      5.408088
  H      -6.711780     -3.895907      9.134493
  N      -4.453426      4.234236      1.932720
  H      -5.095951      5.025623      1.984749
  H      -4.428183      3.868266      0.979329
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.937228166496
  N      -3.211121      4.543831      4.734899
  Mo     -3.919884      3.070707      3.403371
  N      -4.509125      1.486894      4.780900
  C      -3.480453      0.748195      5.502770
  C      -2.343083      1.664571      5.899569
  N      -1.788500      2.311756      4.704243
  C      -1.042678      3.547047      4.987659
  C      -1.986164      4.628077      5.496420
  C      -0.981225      1.384333      3.893469
  C      -1.172610      1.737617      2.417512
  N      -2.582043      1.916827      2.192209
  H      -1.495876      5.613101      5.392338
  H      -2.186129      4.487850      6.575079
  H      -0.587042      3.872120      4.041253
  H      -0.226105      3.369583      5.713164
  H      -0.730059      0.958733      1.774317
  H      -0.657348      2.681820      2.178456
  H      -1.350938      0.363665      4.060800
  H       0.080688      1.414892      4.199486
  H      -3.895444      0.307356      6.424681
  H      -3.100000     -0.101475      4.900361
  H      -2.733922      2.442707      6.568438
  H      -1.566544      1.098047      6.449425
  C     -10.887057      1.427707      6.810357
  C      -9.802453      2.250879      7.474941
  O      -9.962191      3.431959      7.786536
  N      -8.637311      1.550665      7.687943
  C      -7.414267      2.008464      8.206671
  C      -6.373023      1.077404      8.321761
  C      -5.119499      1.472334      8.777950
  C      -4.907010      2.801466      9.117680
  F      -3.653662      3.177939      9.481553
  C      -5.926427      3.757781      9.016923
  C      -5.672513      5.210770      9.289272
  O      -4.962311      5.594703     10.206059
  C      -6.296582      6.196966      8.283619
  C      -5.998689      5.719305      6.883501
  C      -7.017450      5.233034      6.045735
  C      -6.670010      4.511678      4.906454
  N      -5.396514      4.292576      4.574148
  C      -4.393008      4.883231      5.297091
  C      -4.669538      5.591195      6.480240
  C      -7.185234      3.341595      8.564597
  C       0.070429     -3.156101      8.440681
  C      -0.748706     -3.130393      7.164744
  O      -1.717546     -2.392244      7.004601
  N      -0.298025     -4.013600      6.205305
  C      -0.776922     -4.230236      4.902518
  C      -0.000687     -5.044190      4.055603
  C      -0.417072     -5.322248      2.759810
  C      -1.603337     -4.766392      2.296845
  F      -2.004203     -5.080832      1.035993
  C      -2.399989     -3.950020      3.105687
  C      -3.697533     -3.343313      2.668014
  O      -4.607477     -3.210537      3.476504
  C      -3.825901     -2.808544      1.236037
  C      -4.136501     -1.334937      1.331915
  C      -5.458688     -0.864408      1.352303
  C      -5.685106      0.466528      1.692455
  N      -4.695962      1.319858      1.968154
  C      -3.396770      0.900446      1.850427
  C      -3.087497     -0.442383      1.543537
  C      -1.978181     -3.699290      4.422031
  C      -6.213412     -7.245506     12.452317
  C      -6.518040     -7.444798     10.979863
  O      -6.664404     -8.553828     10.470768
  N      -6.613333     -6.262497     10.276639
  C      -6.878863     -6.056626      8.913331
  C      -7.129527     -7.102442      8.003941
  C      -7.385249     -6.800396      6.670906
  C      -7.393046     -5.480830      6.235560
  F      -7.658942     -5.267444      4.920723
  C      -7.144484     -4.411237      7.109253
  C      -7.108618     -2.949412      6.755791
  O      -6.890861     -2.128549      7.642629
  C      -7.337107     -2.540099      5.314302
  C      -7.173250     -1.073900      5.025728
  C      -8.248173     -0.294518      4.574066
  C      -7.975708      1.021401      4.197231
  N      -6.775324      1.596464      4.250322
  C      -5.726256      0.872415      4.739002
  C      -5.918660     -0.485723      5.122820
  C      -6.891770     -4.739691      8.449985
  H     -10.577011      1.141274      5.794889
  H     -11.087340      0.503540      7.371751
  H     -11.802718      2.024113      6.754683
  H      -8.619333      0.597476      7.329884
  H      -6.535158      0.039672      8.024918
  H      -4.311487      0.743985      8.842296
  H      -5.849950      7.178060      8.495042
  H      -7.381960      6.267150      8.449677
  H      -8.065627      5.335366      6.324509
  H      -7.422514      4.034384      4.281146
  H      -3.858217      5.966184      7.105568
  H      -7.997749      4.054587      8.474739
  H       1.106548     -2.844986      8.240986
  H      -0.378121     -2.466573      9.161959
  H       0.098183     -4.166585      8.873615
  H       0.527551     -4.553741      6.450963
  H       0.936255     -5.469975      4.420875
  H       0.164623     -5.970242      2.104408
  H      -2.899142     -2.970512      0.675263
  H      -4.636937     -3.359475      0.735923
  H      -6.299736     -1.532612      1.173144
  H      -6.698387      0.856625      1.792328
  H      -2.053111     -0.787420      1.548692
  H      -2.593664     -3.068703      5.058226
  H      -6.156577     -8.224207     12.937668
  H      -5.257113     -6.718844     12.585727
  H      -6.999476     -6.646479     12.935069
  H      -6.466751     -5.411597     10.813651
  H      -7.121225     -8.131399      8.352713
  H      -7.584334     -7.593956      5.950344
  H      -8.334566     -2.897859      5.013920
  H      -6.620220     -3.109156      4.698143
  H      -9.250948     -0.709988      4.466863
  H      -8.784889      1.652318      3.807357
  H      -5.075431     -1.111713      5.408696
  H      -6.696682     -3.906554      9.129124
  N      -4.416767      4.239525      1.921053
  H      -5.044110      5.041395      1.994129
  H      -4.403207      3.889761      0.961457
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.562157895576
  N      -3.181716      4.516207      4.730124
  Mo     -3.905935      3.055365      3.389098
  N      -4.504260      1.479786      4.778971
  C      -3.474010      0.729410      5.486946
  C      -2.324522      1.632869      5.883578
  N      -1.767619      2.276481      4.687667
  C      -1.015918      3.509676      4.963160
  C      -1.949860      4.595360      5.480035
  C      -0.976551      1.346442      3.866187
  C      -1.173436      1.703967      2.391400
  N      -2.582074      1.899394      2.169016
  H      -1.455677      5.578208      5.370758
  H      -2.139783      4.458856      6.561055
  H      -0.567927      3.831203      4.011793
  H      -0.192330      3.329761      5.680607
  H      -0.743199      0.918659      1.747545
  H      -0.643953      2.640021      2.151169
  H      -1.355943      0.329312      4.033306
  H       0.088043      1.364822      4.165267
  H      -3.881087      0.280272      6.409202
  H      -3.098402     -0.117141      4.876290
  H      -2.705540      2.413435      6.555419
  H      -1.550592      1.058634      6.428972
  C     -10.818263      1.380550      6.801704
  C      -9.741588      2.213112      7.471222
  O      -9.911440      3.394184      7.777980
  N      -8.576123      1.518897      7.694690
  C      -7.357562      1.979122      8.219330
  C      -6.316464      1.048840      8.342271
  C      -5.068434      1.451070      8.803226
  C      -4.857286      2.781585      9.141223
  F      -3.603641      3.151457      9.509320
  C      -5.876378      3.738221      9.034429
  C      -5.627100      5.195693      9.302089
  O      -4.924003      5.584404     10.222021
  C      -6.243975      6.175535      8.288431
  C      -5.954089      5.698002      6.888902
  C      -6.979952      5.223873      6.050619
  C      -6.640046      4.507888      4.907174
  N      -5.367452      4.282782      4.570096
  C      -4.360312      4.859390      5.297110
  C      -4.627134      5.562472      6.485629
  C      -7.132185      3.314744      8.575680
  C      -0.266710     -3.068863      8.543647
  C      -1.034152     -3.075628      7.235296
  O      -2.049237     -2.408285      7.050554
  N      -0.479242     -3.902585      6.278797
  C      -0.889096     -4.127189      4.953565
  C      -0.040113     -4.894362      4.133455
  C      -0.388420     -5.180879      2.819042
  C      -1.580630     -4.678504      2.310550
  F      -1.914303     -5.004853      1.033298
  C      -2.446047     -3.904845      3.090502
  C      -3.751448     -3.348640      2.608977
  O      -4.686892     -3.244858      3.390971
  C      -3.857809     -2.814600      1.174371
  C      -4.157742     -1.338998      1.279368
  C      -5.477340     -0.859540      1.299458
  C      -5.696994      0.468115      1.652661
  N      -4.701591      1.310669      1.943501
  C      -3.404340      0.887229      1.823929
  C      -3.103359     -0.456451      1.503466
  C      -2.091926     -3.647602      4.425528
  C      -6.127099     -7.243653     12.435939
  C      -6.437981     -7.446296     10.964457
  O      -6.573662     -8.556680     10.455759
  N      -6.550910     -6.263999     10.262886
  C      -6.827642     -6.060931      8.901080
  C      -7.074945     -7.108852      7.993587
  C      -7.343662     -6.808161      6.662164
  C      -7.367125     -5.489066      6.227055
  F      -7.646510     -5.278162      4.914307
  C      -7.121832     -4.417259      7.098990
  C      -7.101538     -2.953917      6.746612
  O      -6.895047     -2.129540      7.632007
  C      -7.331949     -2.546970      5.303819
  C      -7.171649     -1.079136      5.026060
  C      -8.250466     -0.292879      4.592091
  C      -7.981160      1.026457      4.227416
  N      -6.776955      1.596729      4.275944
  C      -5.724273      0.867737      4.744155
  C      -5.917107     -0.495112      5.115872
  C      -6.856288     -4.743595      8.437675
  H     -10.502905      1.094794      5.787423
  H     -11.013969      0.455314      7.362850
  H     -11.738014      1.970270      6.741291
  H      -8.552598      0.565095      7.338033
  H      -6.468702      0.007829      8.049715
  H      -4.249275      0.736582      8.877568
  H      -5.802631      7.159074      8.500119
  H      -7.330615      6.241171      8.454914
  H      -8.026872      5.331617      6.332396
  H      -7.398578      4.040947      4.280892
  H      -3.811862      5.927713      7.111508
  H      -7.948457      4.023077      8.475893
  H       0.749752     -2.675218      8.394302
  H      -0.795862     -2.432685      9.259407
  H      -0.178600     -4.084772      8.955462
  H       0.370278     -4.389560      6.552509
  H       0.900051     -5.280138      4.533808
  H       0.249671     -5.795543      2.184292
  H      -2.926819     -2.982336      0.623178
  H      -4.667660     -3.357167      0.663642
  H      -6.319918     -1.522679      1.108326
  H      -6.707518      0.865172      1.754405
  H      -2.071340     -0.808690      1.507055
  H      -2.762901     -3.053269      5.039823
  H      -6.055363     -8.222242     12.919762
  H      -5.176720     -6.704849     12.564135
  H      -6.917169     -6.654703     12.924677
  H      -6.410691     -5.411595     10.799126
  H      -7.054948     -8.138343      8.340264
  H      -7.541383     -7.602710      5.942113
  H      -8.330721     -2.906669      5.008000
  H      -6.620112     -3.114613      4.681995
  H      -9.254537     -0.707156      4.489084
  H      -8.793150      1.663247      3.854034
  H      -5.071256     -1.123769      5.385789
  H      -6.664249     -3.908266      9.115207
  N      -4.419877      4.228908      1.917687
  H      -5.034330      5.035970      2.030257
  H      -4.437593      3.894017      0.953129
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.939084923338
  N      -3.141951      4.458160      4.716069
  Mo     -3.887966      3.023242      3.359636
  N      -4.512536      1.464265      4.750667
  C      -3.492322      0.690140      5.449748
  C      -2.324864      1.569697      5.853561
  N      -1.754748      2.210740      4.660363
  C      -0.987134      3.433030      4.935792
  C      -1.907026      4.528047      5.460294
  C      -0.977323      1.271555      3.834094
  C      -1.166873      1.632304      2.361949
  N      -2.571863      1.855803      2.138857
  H      -1.403659      5.505595      5.348605
  H      -2.091602      4.396286      6.542190
  H      -0.540689      3.754556      3.983553
  H      -0.161039      3.239670      5.646943
  H      -0.753379      0.836785      1.719122
  H      -0.613741      2.554540      2.119808
  H      -1.374510      0.261463      4.000278
  H       0.087064      1.271547      4.136590
  H      -3.901226      0.240945      6.371162
  H      -3.133715     -0.155459      4.827712
  H      -2.689736      2.352946      6.531024
  H      -1.559203      0.979811      6.394008
  C     -10.741848      1.295911      6.848942
  C      -9.660511      2.136042      7.506619
  O      -9.834490      3.318336      7.811141
  N      -8.490064      1.451971      7.720789
  C      -7.270498      1.918096      8.236570
  C      -6.227463      0.984546      8.359640
  C      -4.980371      1.391659      8.813646
  C      -4.765612      2.724967      9.146803
  F      -3.508487      3.088603      9.509815
  C      -5.782276      3.682564      9.042065
  C      -5.540342      5.139348      9.303945
  O      -4.835941      5.533169     10.222181
  C      -6.162093      6.123839      8.298352
  C      -5.892850      5.658391      6.893022
  C      -6.927477      5.206724      6.051878
  C      -6.598273      4.500220      4.900407
  N      -5.327854      4.262895      4.558196
  C      -4.313428      4.817813      5.288719
  C      -4.567863      5.510838      6.486574
  C      -7.042675      3.254557      8.585856
  C      -0.671217     -2.881677      8.687047
  C      -1.373876     -2.948013      7.344118
  O      -2.436528     -2.371767      7.117593
  N      -0.701936     -3.712680      6.410113
  C      -1.028214     -3.965439      5.065885
  C      -0.087910     -4.671403      4.291594
  C      -0.347268     -4.980349      2.960973
  C      -1.544267     -4.559991      2.390626
  F      -1.787360     -4.908647      1.098451
  C      -2.498333     -3.846382      3.122227
  C      -3.812882     -3.366771      2.581145
  O      -4.778551     -3.304961      3.327756
  C      -3.898945     -2.841513      1.142235
  C      -4.192208     -1.363692      1.248512
  C      -5.507648     -0.868935      1.279373
  C      -5.708627      0.460599      1.643975
  N      -4.698612      1.289920      1.931421
  C      -3.409341      0.854458      1.795501
  C      -3.129151     -0.493338      1.469617
  C      -2.232085     -3.568748      4.474165
  C      -5.946438     -7.230235     12.351577
  C      -6.293697     -7.431568     10.887386
  O      -6.418185     -8.542861     10.376276
  N      -6.451974     -6.247957     10.196044
  C      -6.770500     -6.044591      8.842301
  C      -7.023549     -7.093625      7.937530
  C      -7.332984     -6.793471      6.613630
  C      -7.389313     -5.472886      6.185812
  F      -7.705411     -5.259248      4.881876
  C      -7.139620     -4.400179      7.055395
  C      -7.145492     -2.935760      6.705668
  O      -6.938610     -2.109534      7.589876
  C      -7.388634     -2.524194      5.265369
  C      -7.219546     -1.057074      4.995775
  C      -8.291743     -0.248363      4.578898
  C      -8.001394      1.071149      4.222674
  N      -6.785215      1.618624      4.265789
  C      -5.742423      0.870921      4.718044
  C      -5.957558     -0.492502      5.077239
  C      -6.834561     -4.725633      8.385774
  H     -10.437944      1.011737      5.830371
  H     -10.925260      0.367702      7.409925
  H     -11.664003      1.883527      6.801709
  H      -8.461562      0.495255      7.371713
  H      -6.383926     -0.057726      8.071635
  H      -4.154849      0.683945      8.891150
  H      -5.717092      7.104277      8.517681
  H      -7.247816      6.194264      8.476883
  H      -7.973604      5.320524      6.336017
  H      -7.360198      4.046878      4.267411
  H      -3.745975      5.856391      7.115436
  H      -7.861279      3.961628      8.485384
  H       0.311129     -2.394770      8.590799
  H      -1.291261     -2.303776      9.379250
  H      -0.507382     -3.889182      9.097600
  H       0.172230     -4.125674      6.724793
  H       0.855442     -4.991904      4.740606
  H       0.364398     -5.549070      2.362288
  H      -2.961365     -3.011101      0.602891
  H      -4.702730     -3.384360      0.622703
  H      -6.357987     -1.522987      1.090053
  H      -6.714420      0.867307      1.757602
  H      -2.101857     -0.861424      1.465613
  H      -2.974137     -3.024307      5.052220
  H      -5.839364     -8.211211     12.824611
  H      -5.005358     -6.669917     12.458353
  H      -6.733660     -6.661968     12.869277
  H      -6.314802     -5.395454     10.732936
  H      -6.976057     -8.124380      8.278409
  H      -7.535858     -7.588540      5.895233
  H      -8.394341     -2.876986      4.980358
  H      -6.695235     -3.096746      4.628647
  H      -9.303054     -0.647553      4.482239
  H      -8.805434      1.724931      3.862306
  H      -5.119355     -1.136447      5.336478
  H      -6.637671     -3.889102      9.060955
  N      -4.394280      4.222445      1.901653
  H      -4.986780      5.042461      2.032918
  H      -4.433393      3.896164      0.935046
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.940564110385
  N      -3.103503      4.410022      4.702814
  Mo     -3.851383      2.991745      3.326889
  N      -4.476147      1.431721      4.720963
  C      -3.456668      0.647423      5.409541
  C      -2.287658      1.521580      5.819325
  N      -1.713347      2.166993      4.630316
  C      -0.946432      3.387067      4.909774
  C      -1.866814      4.479947      5.442661
  C      -0.937690      1.228562      3.801288
  C      -1.121193      1.596748      2.330907
  N      -2.523887      1.833166      2.105971
  H      -1.363991      5.457963      5.332400
  H      -2.047282      4.344841      6.524927
  H      -0.503460      3.716229      3.958425
  H      -0.117515      3.191163      5.617062
  H      -0.714051      0.799976      1.685508
  H      -0.560239      2.515210      2.092118
  H      -1.340084      0.219469      3.961124
  H       0.126530      1.221579      4.104770
  H      -3.864971      0.190418      6.326061
  H      -3.103100     -0.192174      4.776551
  H      -2.649979      2.302231      6.500855
  H      -1.525275      0.925615      6.358271
  C     -10.732920      1.222241      7.019407
  C      -9.623188      2.066023      7.622623
  O      -9.784723      3.250019      7.929337
  N      -8.443089      1.386048      7.793690
  C      -7.209616      1.859419      8.269327
  C      -6.158474      0.929015      8.367809
  C      -4.903233      1.340347      8.795650
  C      -4.687784      2.674635      9.127786
  F      -3.426581      3.046982      9.470664
  C      -5.709246      3.626650      9.042837
  C      -5.471744      5.080372      9.301959
  O      -4.760298      5.477101     10.214389
  C      -6.109563      6.063976      8.305811
  C      -5.849212      5.599847      6.897298
  C      -6.885991      5.154469      6.056056
  C      -6.560272      4.458912      4.895954
  N      -5.292185      4.223512      4.546202
  C      -4.273293      4.768236      5.279981
  C      -4.525090      5.450968      6.485286
  C      -6.977977      3.195670      8.610846
  C      -1.144895     -2.738250      8.761011
  C      -1.762185     -2.851311      7.379911
  O      -2.860816     -2.372681      7.098974
  N      -0.973260     -3.540340      6.479456
  C      -1.201882     -3.805834      5.118138
  C      -0.178432     -4.451957      4.398489
  C      -0.342955     -4.768336      3.054158
  C      -1.528456     -4.416702      2.416106
  F      -1.675110     -4.774065      1.111746
  C      -2.562081     -3.762429      3.092423
  C      -3.871392     -3.347870      2.488923
  O      -4.869765     -3.321421      3.194078
  C      -3.924504     -2.825768      1.048800
  C      -4.196942     -1.345016      1.172335
  C      -5.503665     -0.826159      1.207255
  C      -5.679825      0.501273      1.595715
  N      -4.653251      1.305020      1.899519
  C      -3.373383      0.847497      1.754916
  C      -3.119186     -0.498491      1.410207
  C      -2.388369     -3.475418      4.457006
  C      -5.893065     -7.189428     12.365187
  C      -6.225005     -7.404229     10.899483
  O      -6.320458     -8.520437     10.391878
  N      -6.405751     -6.227579     10.202052
  C      -6.720240     -6.036989      8.845122
  C      -6.947547     -7.095471      7.944131
  C      -7.255554     -6.809095      6.616650
  C      -7.334569     -5.491390      6.182342
  F      -7.648670     -5.288326      4.876694
  C      -7.110796     -4.410002      7.048028
  C      -7.141128     -2.949224      6.688631
  O      -6.966274     -2.114312      7.572660
  C      -7.363815     -2.548229      5.242011
  C      -7.192561     -1.083020      4.962038
  C      -8.261203     -0.272094      4.540675
  C      -7.964384      1.047818      4.187122
  N      -6.747382      1.592633      4.233811
  C      -5.706665      0.841384      4.684706
  C      -5.928221     -0.521355      5.042645
  C      -6.807375     -4.722010      8.381952
  H     -10.476493      0.936805      5.988562
  H     -10.887915      0.294306      7.589825
  H     -11.656535      1.809712      7.015599
  H      -8.422308      0.426168      7.452438
  H      -6.324024     -0.112415      8.083953
  H      -4.075637      0.632556      8.854553
  H      -5.665951      7.045911      8.521461
  H      -7.193567      6.131502      8.495466
  H      -7.931699      5.266506      6.343256
  H      -7.323140      4.013417      4.258564
  H      -3.700421      5.789869      7.114338
  H      -7.800440      3.900917      8.529281
  H      -0.208827     -2.160177      8.725788
  H      -1.854574     -2.230560      9.421590
  H      -0.909461     -3.731469      9.172225
  H      -0.087537     -3.883840      6.841553
  H       0.754444     -4.719738      4.901298
  H       0.434400     -5.291758      2.497036
  H      -2.979698     -2.999535      0.523280
  H      -4.726477     -3.355201      0.513893
  H      -6.366163     -1.459925      1.004628
  H      -6.677685      0.924520      1.714591
  H      -2.098907     -0.886439      1.401257
  H      -3.192087     -2.975193      4.991011
  H      -5.766225     -8.166229     12.842227
  H      -4.966268     -6.606436     12.476924
  H      -6.696824     -6.637951     12.875878
  H      -6.290975     -5.370057     10.736255
  H      -6.881683     -8.123382      8.291000
  H      -7.439386     -7.611875      5.901634
  H      -8.365453     -2.903998      4.945614
  H      -6.662488     -3.123929      4.617318
  H      -9.272995     -0.669187      4.442063
  H      -8.765476      1.705064      3.826233
  H      -5.093185     -1.169424      5.307459
  H      -6.630376     -3.878369      9.053984
  N      -4.351975      4.210209      1.875453
  H      -4.931600      5.038603      2.010698
  H      -4.399109      3.891389      0.906985
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.942415256935
  N      -3.052555      4.347410      4.700088
  Mo     -3.822465      2.956643      3.305467
  N      -4.436324      1.376016      4.681255
  C      -3.416237      0.577775      5.350216
  C      -2.242779      1.441212      5.764310
  N      -1.669925      2.098136      4.582470
  C      -0.896901      3.310057      4.871288
  C      -1.807790      4.399681      5.427301
  C      -0.910262      1.167825      3.731889
  C      -1.102726      1.565068      2.269207
  N      -2.504439      1.815190      2.059244
  H      -1.299673      5.376284      5.325344
  H      -1.978315      4.249598      6.509746
  H      -0.461493      3.651550      3.920864
  H      -0.061542      3.103976      5.568388
  H      -0.706119      0.777629      1.606450
  H      -0.539686      2.484606      2.040267
  H      -1.319010      0.158051      3.878763
  H       0.157160      1.146797      4.022365
  H      -3.822610      0.105372      6.257524
  H      -3.069408     -0.254306      4.702994
  H      -2.595283      2.216259      6.457304
  H      -1.482550      0.832646      6.293532
  C     -10.666683      1.129362      7.123795
  C      -9.537869      1.967000      7.693084
  O      -9.688857      3.148277      8.015241
  N      -8.350748      1.287242      7.820659
  C      -7.106763      1.759726      8.272864
  C      -6.051963      0.830176      8.331091
  C      -4.789511      1.230477      8.746406
  C      -4.571711      2.557634      9.105576
  F      -3.307778      2.931702      9.441227
  C      -5.595545      3.507750      9.054903
  C      -5.354484      4.953070      9.339896
  O      -4.632097      5.330851     10.252498
  C      -6.009509      5.954907      8.373083
  C      -5.767239      5.509685      6.952452
  C      -6.814894      5.084539      6.117272
  C      -6.507935      4.409020      4.938487
  N      -5.247249      4.173243      4.568554
  C      -4.214060      4.699064      5.298569
  C      -4.448517      5.360588      6.518700
  C      -6.870093      3.087712      8.634938
  C      -1.650058     -2.469305      8.820690
  C      -2.184647     -2.657177      7.414335
  O      -3.319937     -2.317797      7.082680
  N      -1.278390     -3.244322      6.554847
  C      -1.407353     -3.539007      5.187175
  C      -0.293831     -4.101333      4.533642
  C      -0.355668     -4.437546      3.186178
  C      -1.528144     -4.193236      2.478767
  F      -1.566984     -4.567703      1.171632
  C      -2.650328     -3.625709      3.087526
  C      -3.952933     -3.313907      2.411372
  O      -4.989067     -3.344188      3.063990
  C      -3.969295     -2.807360      0.966841
  C      -4.222805     -1.323973      1.095255
  C      -5.521836     -0.787584      1.137417
  C      -5.676877      0.537303      1.541577
  N      -4.639060      1.321405      1.853890
  C      -3.366382      0.845476      1.702328
  C      -3.131862     -0.495976      1.341393
  C      -2.576442     -3.313210      4.456110
  C      -5.900473     -7.110145     12.412609
  C      -6.199612     -7.350483     10.944844
  O      -6.256592     -8.474890     10.449658
  N      -6.397344     -6.188981     10.228905
  C      -6.692127     -6.023616      8.864573
  C      -6.880692     -7.098846      7.974623
  C      -7.173168     -6.838360      6.638988
  C      -7.273928     -5.528278      6.185620
  F      -7.574078     -5.347614      4.874074
  C      -7.088024     -4.431227      7.040090
  C      -7.142521     -2.978838      6.658171
  O      -7.017405     -2.128762      7.537480
  C      -7.331629     -2.600574      5.202039
  C      -7.156116     -1.139203      4.902627
  C      -8.217477     -0.331796      4.465162
  C      -7.915663      0.985518      4.107942
  N      -6.702594      1.534059      4.167325
  C      -5.665442      0.783503      4.631687
  C      -5.888649     -0.577852      4.989724
  C      -6.800191     -4.717828      8.382925
  H     -10.447591      0.856832      6.081341
  H     -10.798362      0.194875      7.689109
  H     -11.589847      1.716002      7.161777
  H      -8.335186      0.330140      7.469771
  H      -6.228814     -0.202044      8.027808
  H      -3.966264      0.515616      8.773974
  H      -5.564455      6.934232      8.595964
  H      -7.089549      6.018081      8.581447
  H      -7.855790      5.198258      6.419632
  H      -7.279133      3.980360      4.300956
  H      -3.614307      5.684217      7.142731
  H      -7.692414      3.794689      8.584882
  H      -0.793718     -1.778090      8.825177
  H      -2.447072     -2.055726      9.446108
  H      -1.310210     -3.424919      9.247352
  H      -0.378779     -3.485198      6.962224
  H       0.627916     -4.285943      5.090909
  H       0.493867     -4.895626      2.679422
  H      -3.014623     -2.984921      0.460423
  H      -4.766639     -3.329553      0.419788
  H      -6.394169     -1.405666      0.930485
  H      -6.667910      0.974153      1.663920
  H      -2.118067     -0.899276      1.325540
  H      -3.446517     -2.874600      4.936543
  H      -5.756320     -8.077291     12.903780
  H      -4.991945     -6.501350     12.534061
  H      -6.728049     -6.574653     12.901468
  H      -6.313839     -5.322181     10.753758
  H      -6.797860     -8.119903      8.337500
  H      -7.328236     -7.654967      5.933267
  H      -8.325383     -2.963302      4.889498
  H      -6.615679     -3.183876      4.601348
  H      -9.228262     -0.728320      4.361044
  H      -8.712644      1.640425      3.733762
  H      -5.057195     -1.225660      5.271293
  H      -6.652422     -3.862062      9.046185
  N      -4.337853      4.197058      1.880050
  H      -4.908338      5.027686      2.040335
  H      -4.406628      3.899058      0.906677
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.943968509767
  N      -3.003630      4.273221      4.709546
  Mo     -3.794941      2.914539      3.293837
  N      -4.407526      1.311729      4.645181
  C      -3.390908      0.498322      5.299448
  C      -2.211182      1.349404      5.718850
  N      -1.634256      2.017100      4.546520
  C      -0.852409      3.218864      4.848713
  C      -1.752212      4.305801      5.425772
  C      -0.888799      1.097214      3.675122
  C      -1.088234      1.528247      2.220751
  N      -2.488711      1.790539      2.020356
  H      -1.237946      5.280592      5.334104
  H      -1.915193      4.139348      6.507488
  H      -0.420248      3.571266      3.900865
  H      -0.013650      3.000260      5.538238
  H      -0.699139      0.753514      1.539052
  H      -0.523084      2.449867      2.007697
  H      -1.301604      0.086755      3.804873
  H       0.181045      1.063312      3.954624
  H      -3.799391      0.013963      6.198179
  H      -3.048984     -0.330831      4.644678
  H      -2.554190      2.119891      6.421723
  H      -1.456076      0.726557      6.240625
  C     -10.596432      1.016992      7.234125
  C      -9.453893      1.852657      7.771667
  O      -9.596703      3.031100      8.106175
  N      -8.260555      1.175106      7.858706
  C      -7.008602      1.649009      8.288319
  C      -5.951442      0.722957      8.307773
  C      -4.681498      1.113605      8.705797
  C      -4.460171      2.433351      9.088321
  F      -3.192177      2.808326      9.410736
  C      -5.487372      3.381528      9.072680
  C      -5.242014      4.820810      9.383146
  O      -4.505598      5.180466     10.291891
  C      -5.912327      5.837622      8.442549
  C      -5.686800      5.409868      7.012088
  C      -6.745013      5.002713      6.184013
  C      -6.456120      4.347996      4.987726
  N      -5.202403      4.113980      4.598073
  C      -4.156812      4.620088      5.325422
  C      -4.374216      5.260999      6.558313
  C      -6.767460      2.970270      8.667883
  C      -2.119101     -2.195092      8.811322
  C      -2.552013     -2.479742      7.387099
  O      -3.707620     -2.319821      6.997712
  N      -1.531353     -2.934103      6.579469
  C      -1.556623     -3.257865      5.214108
  C      -0.359080     -3.704360      4.622856
  C      -0.321979     -4.056290      3.279037
  C      -1.477179     -3.942830      2.513058
  F      -1.410126     -4.327166      1.210084
  C      -2.680392     -3.489456      3.059186
  C      -3.973821     -3.299744      2.324285
  O      -5.033184     -3.394763      2.934638
  C      -3.967980     -2.811164      0.875906
  C      -4.217728     -1.326815      1.008564
  C      -5.514797     -0.787965      1.053569
  C      -5.665632      0.531641      1.472822
  N      -4.628085      1.308447      1.799038
  C      -3.355069      0.830817      1.645785
  C      -3.123258     -0.504481      1.266962
  C      -2.704014     -3.161624      4.425375
  C      -5.923175     -6.999716     12.470162
  C      -6.203575     -7.268466     11.004529
  O      -6.235155     -8.401298     10.527217
  N      -6.416604     -6.123680     10.267958
  C      -6.702573     -5.985683      8.899235
  C      -6.867340     -7.078227      8.026143
  C      -7.153777     -6.845338      6.684947
  C      -7.271273     -5.544760      6.208528
  F      -7.567370     -5.389996      4.893281
  C      -7.108418     -4.431165      7.045952
  C      -7.179911     -2.988400      6.638298
  O      -7.093090     -2.122553      7.507873
  C      -7.339700     -2.635373      5.174031
  C      -7.149476     -1.179618      4.855480
  C      -8.198753     -0.367094      4.407956
  C      -7.884552      0.945314      4.048444
  N      -6.670281      1.487357      4.114977
  C      -5.640161      0.727380      4.586103
  C      -5.874267     -0.630644      4.943079
  C      -6.826859     -4.690461      8.395527
  H     -10.410825      0.755922      6.182629
  H     -10.704028      0.077318      7.795216
  H     -11.519954      1.599042      7.308778
  H      -8.249490      0.219785      7.501417
  H      -6.137358     -0.301228      7.988940
  H      -3.864456      0.392218      8.699689
  H      -5.466500      6.815215      8.669895
  H      -6.988350      5.895534      8.668105
  H      -7.780828      5.116780      6.502101
  H      -7.236356      3.934930      4.351653
  H      -3.531359      5.570605      7.177332
  H      -7.589458      3.678036      8.647264
  H      -1.380200     -1.380356      8.839657
  H      -2.998033     -1.900824      9.392814
  H      -1.657739     -3.081202      9.271734
  H      -0.627609     -3.045911      7.031206
  H       0.548348     -3.785955      5.225552
  H       0.594258     -4.426139      2.819024
  H      -3.004278     -2.982167      0.385366
  H      -4.757653     -3.335297      0.321534
  H      -6.388785     -1.400426      0.839160
  H      -6.655365      0.970600      1.596763
  H      -2.111941     -0.912088      1.249697
  H      -3.636649     -2.810865      4.856657
  H      -5.764841     -7.955368     12.978572
  H      -5.027999     -6.371732     12.590002
  H      -6.766148     -6.473157     12.941528
  H      -6.353934     -5.247069     10.779134
  H      -6.771329     -8.091216      8.407340
  H      -7.291646     -7.676304      5.993012
  H      -8.329674     -2.998147      4.851011
  H      -6.616153     -3.231640      4.595844
  H      -9.212225     -0.754563      4.302533
  H      -8.674270      1.604969      3.667166
  H      -5.051893     -1.285563      5.231863
  H      -6.696930     -3.822149      9.045464
  N      -4.320697      4.179153      1.898215
  H      -4.882699      5.009736      2.088887
  H      -4.409085      3.908095      0.918594
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.945245455098
  N      -3.025810      4.254921      4.748834
  Mo     -3.810525      2.909547      3.317078
  N      -4.419543      1.278854      4.638930
  C      -3.406069      0.475523      5.306131
  C      -2.234463      1.330427      5.729046
  N      -1.650448      1.999364      4.566731
  C      -0.871548      3.201125      4.884416
  C      -1.774507      4.280418      5.464758
  C      -0.900480      1.090952      3.691660
  C      -1.097388      1.548014      2.239747
  N      -2.494910      1.811462      2.035470
  H      -1.262649      5.258541      5.384772
  H      -1.939318      4.097053      6.544800
  H      -0.432298      3.557521      3.941498
  H      -0.037252      2.982045      5.579613
  H      -0.702674      0.789035      1.543987
  H      -0.537871      2.475974      2.045989
  H      -1.306158      0.074365      3.805326
  H       0.168574      1.058669      3.971962
  H      -3.828174     -0.006271      6.199653
  H      -3.048009     -0.364207      4.671814
  H      -2.583579      2.101451      6.428532
  H      -1.483200      0.707588      6.259372
  C     -10.504208      0.843763      7.166357
  C      -9.396454      1.701303      7.727421
  O      -9.571952      2.869918      8.073779
  N      -8.185123      1.051620      7.814593
  C      -6.952240      1.554743      8.264829
  C      -5.878540      0.658912      8.274927
  C      -4.616624      1.059420      8.683280
  C      -4.427323      2.373894      9.089062
  F      -3.171055      2.776888      9.422827
  C      -5.479356      3.301558      9.082540
  C      -5.252974      4.744407      9.424087
  O      -4.517741      5.095952     10.335095
  C      -5.943470      5.763561      8.497500
  C      -5.708724      5.350915      7.062059
  C      -6.764842      4.942498      6.236341
  C      -6.477370      4.302781      5.030240
  N      -5.225451      4.082480      4.636220
  C      -4.180011      4.587236      5.366116
  C      -4.398284      5.217092      6.600388
  C      -6.744852      2.876105      8.666962
  C      -1.861718     -2.269656      8.732467
  C      -2.344892     -2.567230      7.328670
  O      -3.525722     -2.499068      7.004031
  N      -1.335953     -2.911525      6.457307
  C      -1.403979     -3.207330      5.087181
  C      -0.204505     -3.550025      4.434654
  C      -0.203839     -3.859713      3.082623
  C      -1.392139     -3.802703      2.366667
  F      -1.348715     -4.137651      1.049521
  C      -2.601432     -3.447442      2.970512
  C      -3.922741     -3.308666      2.275582
  O      -4.962516     -3.466511      2.910520
  C      -3.963515     -2.783353      0.838551
  C      -4.208003     -1.296264      0.971882
  C      -5.505767     -0.766628      1.026684
  C      -5.664197      0.546719      1.450441
  N      -4.637851      1.327446      1.783285
  C      -3.356788      0.859622      1.627092
  C      -3.112275     -0.467685      1.230156
  C      -2.589005     -3.170725      4.349870
  C      -6.142954     -6.803118     12.609055
  C      -6.400811     -7.108302     11.148203
  O      -6.434037     -8.252357     10.701633
  N      -6.593267     -5.984255     10.377451
  C      -6.856235     -5.880121      9.002953
  C      -7.017885     -6.993584      8.157213
  C      -7.282936     -6.794043      6.808634
  C      -7.382958     -5.506938      6.294211
  F      -7.663458     -5.388020      4.972219
  C      -7.221430     -4.372614      7.103778
  C      -7.276896     -2.942890      6.657848
  O      -7.215655     -2.055157      7.508464
  C      -7.404623     -2.628452      5.186480
  C      -7.185579     -1.183361      4.839349
  C      -8.217015     -0.372017      4.371028
  C      -7.892134      0.928007      3.996769
  N      -6.678427      1.466243      4.070082
  C      -5.655172      0.698870      4.564177
  C      -5.899745     -0.651405      4.930833
  C      -6.961333     -4.598640      8.463625
  H     -10.297479      0.605750      6.113385
  H     -10.587617     -0.105046      7.713949
  H     -11.447058      1.393008      7.237096
  H      -8.147528      0.099585      7.449422
  H      -6.044011     -0.359892      7.935610
  H      -3.806905      0.334150      8.654675
  H      -5.510193      6.745810      8.726356
  H      -7.017366      5.804817      8.725724
  H      -7.797843      5.047284      6.563511
  H      -7.258714      3.890883      4.395733
  H      -3.557004      5.530312      7.218708
  H      -7.576338      3.570313      8.652984
  H      -1.199748     -1.391631      8.734824
  H      -2.728546     -2.064749      9.367500
  H      -1.299616     -3.116735      9.149840
  H      -0.402623     -2.960346      6.858064
  H       0.730274     -3.583951      4.996224
  H       0.713953     -4.150912      2.573340
  H      -3.008213     -2.936606      0.328900
  H      -4.768937     -3.300055      0.302444
  H      -6.378371     -1.380215      0.813916
  H      -6.655539      0.979836      1.578088
  H      -2.100398     -0.868684      1.213684
  H      -3.523427     -2.906223      4.829279
  H      -6.000324     -7.743441     13.148159
  H      -5.245316     -6.179726     12.725859
  H      -6.991690     -6.258842     13.047049
  H      -6.532769     -5.094573     10.865604
  H      -6.936240     -7.995209      8.568771
  H      -7.419359     -7.642669      6.139276
  H      -8.392995     -2.984339      4.855215
  H      -6.674836     -3.247498      4.639783
  H      -9.234206     -0.748633      4.265604
  H      -8.674121      1.587410      3.599151
  H      -5.094862     -1.314393      5.231955
  H      -6.833723     -3.715814      9.092451
  N      -4.336712      4.185539      1.951778
  H      -4.899907      5.013163      2.158110
  H      -4.429050      3.938138      0.965128
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.947819995579
  N      -2.999111      4.229762      4.751517
  Mo     -3.780592      2.894723      3.309226
  N      -4.418593      1.278514      4.627192
  C      -3.422078      0.467035      5.310987
  C      -2.243886      1.310227      5.746299
  N      -1.638002      1.969819      4.587209
  C      -0.852876      3.166519      4.908820
  C      -1.755645      4.254093      5.479512
  C      -0.887225      1.049345      3.721455
  C      -1.057811      1.501617      2.267695
  N      -2.450001      1.788425      2.047037
  H      -1.238901      5.229396      5.401498
  H      -1.931029      4.077493      6.558538
  H      -0.402512      3.518715      3.969388
  H      -0.026195      2.939721      5.610493
  H      -0.668228      0.732969      1.579181
  H      -0.476620      2.417629      2.078038
  H      -1.310091      0.041098      3.831228
  H       0.177212      1.001817      4.019092
  H      -3.858010     -0.001406      6.205971
  H      -3.070907     -0.380316      4.684849
  H      -2.591659      2.086934      6.439617
  H      -1.505494      0.682101      6.287811
  C     -10.420236      0.692488      7.149412
  C      -9.327910      1.575795      7.710256
  O      -9.524254      2.747331      8.039679
  N      -8.108048      0.949909      7.811117
  C      -6.888969      1.475763      8.268096
  C      -5.802467      0.590110      8.301378
  C      -4.553128      1.012181      8.723335
  C      -4.381524      2.334176      9.117648
  F      -3.132569      2.746955      9.464138
  C      -5.440742      3.252204      9.087442
  C      -5.238890      4.700123      9.419477
  O      -4.520191      5.066723     10.338257
  C      -5.932695      5.715432      8.490109
  C      -5.697555      5.319807      7.053119
  C      -6.750296      4.921804      6.214818
  C      -6.454440      4.292694      5.006932
  N      -5.198711      4.070486      4.622052
  C      -4.157938      4.566743      5.363257
  C      -4.382996      5.189972      6.601324
  C      -6.700327      2.804807      8.658049
  C      -2.084778     -2.229993      8.738342
  C      -2.529948     -2.545301      7.325229
  O      -3.707883     -2.520416      6.978329
  N      -1.492264     -2.847162      6.471253
  C      -1.527490     -3.148276      5.100179
  C      -0.307810     -3.460592      4.470534
  C      -0.272795     -3.767074      3.117321
  C      -1.449468     -3.738033      2.378868
  F      -1.368660     -4.075410      1.063547
  C      -2.679760     -3.414967      2.960250
  C      -3.994625     -3.302209      2.244486
  O      -5.037703     -3.493807      2.860189
  C      -4.026910     -2.771149      0.809440
  C      -4.232586     -1.278529      0.959021
  C      -5.518612     -0.718118      1.024950
  C      -5.644088      0.596927      1.460186
  N      -4.594356      1.349133      1.794554
  C      -3.327403      0.854291      1.628129
  C      -3.117599     -0.478128      1.218531
  C      -2.699493     -3.140563      4.339621
  C      -6.061450     -6.702724     12.612655
  C      -6.314532     -7.023628     11.153131
  O      -6.318837     -8.171687     10.713526
  N      -6.538057     -5.908351     10.375991
  C      -6.806733     -5.820218      9.000310
  C      -6.944396     -6.944129      8.163456
  C      -7.217052     -6.761783      6.812476
  C      -7.346876     -5.480924      6.289202
  F      -7.634061     -5.376899      4.967258
  C      -7.210037     -4.336649      7.089525
  C      -7.298721     -2.912830      6.630107
  O      -7.275532     -2.013913      7.472488
  C      -7.411007     -2.609824      5.153209
  C      -7.196554     -1.164634      4.809340
  C      -8.225648     -0.344507      4.340251
  C      -7.892392      0.957435      3.973565
  N      -6.672292      1.485349      4.051826
  C      -5.657634      0.711123      4.544724
  C      -5.913398     -0.637109      4.908637
  C      -6.942741     -4.544934      8.451120
  H     -10.204662      0.449379      6.098669
  H     -10.489491     -0.255059      7.702238
  H     -11.372233      1.227702      7.212286
  H      -8.049398     -0.009530      7.466774
  H      -5.952380     -0.435421      7.970801
  H      -3.734085      0.296587      8.715536
  H      -5.505359      6.698258      8.729929
  H      -7.008657      5.752263      8.716518
  H      -7.787094      5.022342      6.533481
  H      -7.229716      3.884879      4.360891
  H      -3.545179      5.496090      7.228769
  H      -7.540918      3.489494      8.624817
  H      -1.460361     -1.324345      8.756359
  H      -2.971763     -2.064310      9.357075
  H      -1.493733     -3.053291      9.164998
  H      -0.565210     -2.860974      6.888818
  H       0.617229     -3.471839      5.050283
  H       0.662073     -4.034828      2.625643
  H      -3.079313     -2.949548      0.293927
  H      -4.849982     -3.259789      0.273826
  H      -6.406113     -1.310022      0.809445
  H      -6.625395      1.051463      1.595874
  H      -2.115583     -0.905813      1.193198
  H      -3.650559     -2.901644      4.801907
  H      -5.892827     -7.637257     13.155241
  H      -5.180268     -6.054373     12.724995
  H      -6.922064     -6.177883     13.052420
  H      -6.499101     -5.014338     10.858678
  H      -6.838506     -7.940888      8.582313
  H      -7.335921     -7.618544      6.149443
  H      -8.395038     -2.972862      4.812430
  H      -6.676246     -3.228467      4.612578
  H      -9.244734     -0.716203      4.230720
  H      -8.668839      1.623175      3.576425
  H      -5.112748     -1.303726      5.217545
  H      -6.834278     -3.653861      9.072773
  N      -4.284520      4.189278      1.943807
  H      -4.835181      5.025440      2.145981
  H      -4.375871      3.939641      0.957885
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.943915345894
  N      -2.994796      4.233123      4.767334
  Mo     -3.777872      2.911617      3.310384
  N      -4.415329      1.286128      4.618232
  C      -3.414803      0.476638      5.296705
  C      -2.233894      1.316300      5.731327
  N      -1.631749      1.981288      4.578420
  C      -0.845973      3.175121      4.907787
  C      -1.747045      4.254601      5.491455
  C      -0.886702      1.071906      3.701140
  C      -1.062462      1.535171      2.251817
  N      -2.449705      1.823467      2.035672
  H      -1.233598      5.232736      5.420055
  H      -1.916081      4.068074      6.568452
  H      -0.401091      3.535608      3.970947
  H      -0.016365      2.943375      5.602518
  H      -0.676150      0.771710      1.556830
  H      -0.482042      2.450469      2.071533
  H      -1.308547      0.063656      3.800895
  H       0.177162      1.022408      3.994390
  H      -3.845693      0.002193      6.191935
  H      -3.059814     -0.368944      4.669366
  H      -2.578049      2.088643      6.430150
  H      -1.495751      0.684510      6.266440
  C     -10.357943      0.478014      7.179902
  C      -9.270179      1.401005      7.707805
  O      -9.491995      2.582127      8.022699
  N      -8.024460      0.796927      7.801568
  C      -6.807950      1.359159      8.255996
  C      -5.691324      0.489662      8.285867
  C      -4.435956      0.953971      8.716383
  C      -4.294993      2.296160      9.117901
  F      -3.041177      2.743580      9.470483
  C      -5.386815      3.196229      9.091930
  C      -5.209641      4.658864      9.446006
  O      -4.497039      5.029278     10.364978
  C      -5.919475      5.675505      8.531470
  C      -5.685494      5.301412      7.087439
  C      -6.740560      4.915797      6.245909
  C      -6.447011      4.304196      5.027303
  N      -5.191323      4.083152      4.636982
  C      -4.151158      4.566229      5.384028
  C      -4.372926      5.178219      6.629560
  C      -6.647146      2.710618      8.656250
  C      -2.192837     -2.307256      8.731981
  C      -2.628715     -2.618444      7.306599
  O      -3.826493     -2.639107      6.947303
  N      -1.557425     -2.860863      6.455633
  C      -1.574485     -3.140261      5.073616
  C      -0.335386     -3.415587      4.458331
  C      -0.277453     -3.690053      3.088556
  C      -1.451186     -3.667894      2.322208
  F      -1.345609     -3.976845      0.991291
  C      -2.703591     -3.381581      2.891847
  C      -4.017048     -3.277411      2.147773
  O      -5.080230     -3.509756      2.745302
  C      -4.032080     -2.709637      0.718922
  C      -4.221595     -1.217832      0.894469
  C      -5.500807     -0.658903      0.960659
  C      -5.629046      0.641092      1.413831
  N      -4.587753      1.382948      1.768187
  C      -3.322975      0.894801      1.602760
  C      -3.110845     -0.426239      1.172209
  C      -2.744383     -3.139813      4.286516
  C      -6.188376     -6.543817     12.715901
  C      -6.379371     -6.899184     11.257711
  O      -6.320765     -8.057774     10.843005
  N      -6.624038     -5.800210     10.451723
  C      -6.848817     -5.742554      9.069514
  C      -6.912240     -6.886570      8.254171
  C      -7.143456     -6.732841      6.895965
  C      -7.303268     -5.461594      6.343348
  F      -7.545141     -5.386413      5.017283
  C      -7.240125     -4.297975      7.121339
  C      -7.361380     -2.884104      6.630775
  O      -7.418347     -1.963167      7.458016
  C      -7.403049     -2.617046      5.149833
  C      -7.186542     -1.174996      4.783129
  C      -8.213115     -0.368280      4.270079
  C      -7.883618      0.933854      3.904415
  N      -6.667349      1.472730      4.010858
  C      -5.652743      0.710748      4.533305
  C      -5.906105     -0.637807      4.912563
  C      -7.016297     -4.476806      8.490785
  H     -10.156001      0.223145      6.133358
  H     -10.388684     -0.464856      7.744014
  H     -11.331793      0.992345      7.251596
  H      -7.945012     -0.177817      7.469869
  H      -5.817430     -0.557010      7.950406
  H      -3.579258      0.258272      8.712349
  H      -5.503257      6.660544      8.778171
  H      -6.998114      5.695746      8.765175
  H      -7.776533      5.012519      6.569754
  H      -7.226300      3.907610      4.380352
  H      -3.534112      5.476180      7.259096
  H      -7.510147      3.379847      8.628460
  H      -1.604087     -1.375279      8.789573
  H      -3.100654     -2.191131      9.342642
  H      -1.555477     -3.110230      9.134945
  H      -0.619573     -2.848616      6.886560
  H       0.587841     -3.420785      5.056910
  H       0.673076     -3.928313      2.603756
  H      -3.083025     -2.888962      0.205860
  H      -4.862481     -3.173526      0.169141
  H      -6.382290     -1.244467      0.727521
  H      -6.604366      1.093984      1.544692
  H      -2.113245     -0.851433      1.141552
  H      -3.712199     -2.933221      4.740792
  H      -5.998013     -7.465719     13.283687
  H      -5.336915     -5.854171     12.843515
  H      -7.087559     -6.047257     13.112999
  H      -6.638188     -4.894069     10.916277
  H      -6.781464     -7.876340      8.694857
  H      -7.205175     -7.605522      6.249682
  H      -8.361395     -2.999258      4.778755
  H      -6.644465     -3.238359      4.662938
  H      -9.229922     -0.748576      4.137518
  H      -8.658142      1.591244      3.481404
  H      -5.104831     -1.292924      5.259590
  H      -6.966828     -3.571219      9.096165
  N      -4.284249      4.221276      1.957990
  H      -4.831316      5.056119      2.170998
  H      -4.381776      3.985465      0.964721
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.945823840497
  N      -2.983065      4.233329      4.784775
  Mo     -3.762002      2.915891      3.320509
  N      -4.422067      1.299192      4.623912
  C      -3.423723      0.488128      5.308502
  C      -2.237052      1.318732      5.749553
  N      -1.625062      1.985224      4.599325
  C      -0.834913      3.172998      4.937435
  C      -1.737581      4.252412      5.521107
  C      -0.879100      1.077886      3.719863
  C      -1.041233      1.541453      2.267876
  N      -2.427006      1.833436      2.042721
  H      -1.221338      5.230298      5.454314
  H      -1.914260      4.066854      6.595838
  H      -0.384680      3.539177      4.005326
  H      -0.009220      2.931439      5.633198
  H      -0.651964      0.773877      1.578494
  H      -0.449444      2.453368      2.093264
  H      -1.311201      0.074173      3.816241
  H       0.183858      1.021224      4.021060
  H      -3.852110      0.016132      6.210067
  H      -3.070158     -0.352582      4.676111
  H      -2.582648      2.087274      6.451798
  H      -1.502569      0.682623      6.283483
  C     -10.285783      0.521615      7.153449
  C      -9.208941      1.425388      7.702698
  O      -9.423100      2.592572      8.018362
  N      -7.994012      0.816713      7.800611
  C      -6.803813      1.353227      8.256671
  C      -5.711468      0.480744      8.295511
  C      -4.473707      0.945912      8.730701
  C      -4.326365      2.273568      9.120852
  F      -3.088186      2.696721      9.469428
  C      -5.389701      3.167777      9.089349
  C      -5.220068      4.613665      9.442807
  O      -4.519842      4.977578     10.357117
  C      -5.921756      5.635633      8.544426
  C      -5.689560      5.287782      7.097102
  C      -6.740882      4.922924      6.239934
  C      -6.435279      4.328978      5.018773
  N      -5.173581      4.100941      4.637695
  C      -4.143763      4.570150      5.395730
  C      -4.373469      5.169954      6.647946
  C      -6.632154      2.686500      8.653171
  C      -2.394944     -2.356157      8.649225
  C      -2.775128     -2.653560      7.223931
  O      -3.935213     -2.676489      6.835339
  N      -1.697364     -2.880625      6.411052
  C      -1.678106     -3.151332      5.041344
  C      -0.440959     -3.428633      4.461908
  C      -0.353990     -3.698819      3.105903
  C      -1.501360     -3.673115      2.323769
  F      -1.371034     -3.982758      1.011338
  C      -2.750867     -3.382981      2.857988
  C      -4.040843     -3.270916      2.090867
  O      -5.091460     -3.478682      2.656890
  C      -4.032470     -2.702495      0.672167
  C      -4.202628     -1.205206      0.868868
  C      -5.482583     -0.640407      0.924969
  C      -5.611866      0.656051      1.384644
  N      -4.566885      1.391735      1.756089
  C      -3.301718      0.903654      1.603851
  C      -3.092777     -0.420997      1.163626
  C      -2.817302     -3.142666      4.233777
  C      -6.139440     -6.493437     12.777456
  C      -6.296482     -6.870115     11.313267
  O      -6.193730     -8.036734     10.903514
  N      -6.568112     -5.775957     10.496324
  C      -6.777908     -5.732426      9.105324
  C      -6.789542     -6.886412      8.289613
  C      -7.009367     -6.744420      6.921355
  C      -7.205758     -5.475242      6.361010
  F      -7.431560     -5.409711      5.027801
  C      -7.198491     -4.302332      7.138198
  C      -7.366171     -2.891330      6.636372
  O      -7.488823     -1.957711      7.458153
  C      -7.369861     -2.634726      5.146083
  C      -7.173762     -1.186827      4.785101
  C      -8.209565     -0.388961      4.251407
  C      -7.888250      0.921623      3.893076
  N      -6.672259      1.468521      4.015674
  C      -5.657227      0.721145      4.546825
  C      -5.905773     -0.630798      4.938281
  C      -6.986651     -4.468882      8.516348
  H     -10.070474      0.285725      6.103700
  H     -10.330761     -0.429956      7.708941
  H     -11.244861      1.037514      7.216554
  H      -7.918142     -0.151252      7.476053
  H      -5.837826     -0.560246      7.967244
  H      -3.605211      0.273715      8.747514
  H      -5.507263      6.614457      8.806654
  H      -7.001840      5.653842      8.782993
  H      -7.781269      5.018314      6.553541
  H      -7.209770      3.945334      4.361521
  H      -3.539126      5.455500      7.288076
  H      -7.477608      3.349556      8.621062
  H      -1.831017     -1.430472      8.722672
  H      -3.311317     -2.255923      9.229434
  H      -1.768068     -3.144746      9.064899
  H      -0.791781     -2.870578      6.865038
  H       0.460667     -3.439189      5.073849
  H       0.596804     -3.937856      2.645808
  H      -3.089848     -2.916078      0.160910
  H      -4.871901     -3.141717      0.116448
  H      -6.363513     -1.223735      0.672956
  H      -6.586315      1.112939      1.503945
  H      -2.094998     -0.851041      1.133092
  H      -3.787745     -2.935414      4.665065
  H      -5.928870     -7.409830     13.354068
  H      -5.308053     -5.772447     12.917953
  H      -7.064866     -6.018248     13.158000
  H      -6.619642     -4.863682     10.958532
  H      -6.628844     -7.875550      8.734598
  H      -7.031693     -7.624887      6.273962
  H      -8.311860     -3.037956      4.752800
  H      -6.591146     -3.245609      4.677672
  H      -9.222115     -0.781870      4.104433
  H      -8.663137      1.573070      3.458937
  H      -5.093139     -1.270018      5.312535
  H      -6.982195     -3.555910      9.122057
  N      -4.256255      4.241870      1.958793
  H      -4.795398      5.080785      2.165991
  H      -4.345759      4.002532      0.979459
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.944547557739
  N      -2.978754      4.237702      4.757930
  Mo     -3.760590      2.893432      3.315789
  N      -4.397382      1.282222      4.649506
  C      -3.391746      0.480545      5.335861
  C      -2.210527      1.324884      5.757299
  N      -1.611994      1.980951      4.589816
  C      -0.828796      3.180211      4.904985
  C      -1.731972      4.267796      5.480680
  C      -0.866801      1.061021      3.720284
  C      -1.035299      1.504864      2.265716
  N      -2.427058      1.793113      2.046309
  H      -1.220923      5.242175      5.394033
  H      -1.900378      4.099484      6.561297
  H      -0.386225      3.533871      3.961392
  H       0.002734      2.953771      5.601796
  H      -0.646615      0.729031      1.583408
  H      -0.446235      2.418488      2.072938
  H      -1.294780      0.059384      3.835979
  H       0.199312      1.009857      4.012434
  H      -3.810593      0.022622      6.248882
  H      -3.046230     -0.368210      4.709005
  H      -2.556299      2.101436      6.452504
  H      -1.468467      0.699500      6.295597
  C     -10.438782      0.805853      7.105650
  C      -9.344872      1.687981      7.684826
  O      -9.549571      2.856633      8.004211
  N      -8.132946      1.053717      7.806919
  C      -6.918629      1.546994      8.279583
  C      -5.841498      0.642933      8.342913
  C      -4.599705      1.050804      8.778207
  C      -4.422621      2.355201      9.156170
  F      -3.181245      2.737054      9.511211
  C      -5.463385      3.282442      9.101177
  C      -5.255064      4.719834      9.431633
  O      -4.547868      5.100973     10.386747
  C      -5.930214      5.727082      8.483715
  C      -5.679951      5.334116      7.051890
  C      -6.730194      4.947037      6.201551
  C      -6.427220      4.323344      4.994981
  N      -5.168535      4.095024      4.617429
  C      -4.136735      4.579907      5.367102
  C      -4.362287      5.202806      6.609366
  C      -6.713461      2.859126      8.659303
  C      -2.357431     -2.276105      8.667239
  C      -2.724917     -2.600259      7.237991
  O      -3.873530     -2.613788      6.855541
  N      -1.646098     -2.856456      6.409160
  C      -1.618732     -3.153340      5.033399
  C      -0.368950     -3.433400      4.424380
  C      -0.282045     -3.726367      3.065939
  C      -1.435360     -3.721413      2.310420
  F      -1.305902     -4.053092      0.997012
  C      -2.692953     -3.431467      2.873835
  C      -3.994741     -3.344335      2.141488
  O      -5.043515     -3.566449      2.740629
  C      -4.010197     -2.791109      0.716447
  C      -4.201326     -1.289621      0.902990
  C      -5.497040     -0.724558      0.964404
  C      -5.629627      0.594096      1.420458
  N      -4.573695      1.344832      1.779044
  C      -3.302118      0.850099      1.620063
  C      -3.088803     -0.487880      1.187903
  C      -2.761283     -3.165891      4.249203
  C      -6.039530     -6.758364     12.667012
  C      -6.260282     -7.079209     11.205988
  O      -6.240423     -8.221365     10.760596
  N      -6.489160     -5.966655     10.434181
  C      -6.740678     -5.876401      9.056922
  C      -6.843500     -6.994600      8.209351
  C      -7.104898     -6.807063      6.855213
  C      -7.253738     -5.529387      6.340925
  F      -7.534467     -5.419705      5.015381
  C      -7.157855     -4.391307      7.152486
  C      -7.288716     -2.971789      6.700551
  O      -7.347739     -2.091988      7.541161
  C      -7.348933     -2.651467      5.222402
  C      -7.142524     -1.199431      4.878683
  C      -8.180071     -0.391343      4.405438
  C      -7.860731      0.919262      4.042001
  N      -6.647346      1.458056      4.112061
  C      -5.630860      0.701945      4.595576
  C      -5.873576     -0.649149      4.982887
  C      -6.902077     -4.604101      8.516254
  H     -10.210037      0.562985      6.046258
  H     -10.511093     -0.141255      7.655443
  H     -11.394550      1.339388      7.157009
  H      -8.078241      0.089081      7.485081
  H      -5.994547     -0.376207      8.025251
  H      -3.764535      0.354587      8.798300
  H      -5.509588      6.717356      8.730701
  H      -7.009137      5.759651      8.690821
  H      -7.769157      5.051588      6.510995
  H      -7.202135      3.924483      4.340901
  H      -3.526709      5.504386      7.242332
  H      -7.543385      3.555291      8.603370
  H      -1.770634     -1.330902      8.703964
  H      -3.277329     -2.149428      9.258627
  H      -1.744140     -3.081985      9.108653
  H      -0.744620     -2.842319      6.851404
  H       0.537224     -3.426750      5.020434
  H       0.673678     -3.967280      2.585930
  H      -3.071792     -2.999888      0.196296
  H      -4.851215     -3.251054      0.172350
  H      -6.385723     -1.317272      0.722697
  H      -6.614448      1.057835      1.546234
  H      -2.080177     -0.914102      1.155298
  H      -3.735241     -2.955457      4.698840
  H      -5.872193     -7.688771     13.204634
  H      -5.173542     -6.100543     12.799336
  H      -6.911398     -6.247337     13.091157
  H      -6.474306     -5.077864     10.920825
  H      -6.722815     -7.989834      8.619159
  H      -7.200028     -7.659952      6.183942
  H      -8.324738     -3.020379      4.855099
  H      -6.597207     -3.266005      4.697770
  H      -9.192482     -0.772483      4.300791
  H      -8.641342      1.576348      3.649884
  H      -5.061234     -1.290131      5.315216
  H      -6.833068     -3.717867      9.147990
  N      -4.262789      4.199944      1.948451
  H      -4.804631      5.040971      2.157508
  H      -4.363268      3.947419      0.964005
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.944833733845
  N      -2.985190      4.247915      4.726022
  Mo     -3.774466      2.894615      3.296729
  N      -4.397491      1.286019      4.630922
  C      -3.382887      0.490754      5.309340
  C      -2.199363      1.339858      5.721967
  N      -1.611938      1.993134      4.551942
  C      -0.830468      3.198074      4.854892
  C      -1.731756      4.286590      5.433959
  C      -0.872057      1.068740      3.681347
  C      -1.059037      1.510123      2.229159
  N      -2.453147      1.797867      2.020837
  H      -1.227959      5.264641      5.337178
  H      -1.887494      4.120748      6.518341
  H      -0.398825      3.547433      3.904316
  H       0.008326      2.977034      5.544491
  H      -0.676516      0.732841      1.544833
  H      -0.474345      2.422945      2.029539
  H      -1.296505      0.062997      3.803405
  H       0.197135      1.019298      3.963570
  H      -3.794187      0.032875      6.223902
  H      -3.036142     -0.361213      4.685390
  H      -2.540824      2.118523      6.417386
  H      -1.452468      0.715496      6.257533
  C     -10.442610      0.684028      7.171490
  C      -9.339704      1.595500      7.696381
  O      -9.538876      2.784706      8.004483
  N      -8.120452      0.970466      7.804325
  C      -6.887954      1.498506      8.272915
  C      -5.794482      0.600836      8.332145
  C      -4.541979      1.033314      8.759932
  C      -4.366565      2.366002      9.139321
  F      -3.106542      2.782929      9.494371
  C      -5.428937      3.292029      9.090437
  C      -5.212571      4.740813      9.427065
  O      -4.492375      5.096178     10.344358
  C      -5.896396      5.743248      8.481174
  C      -5.661623      5.346810      7.042937
  C      -6.720008      4.954464      6.203416
  C      -6.429728      4.324647      4.993762
  N      -5.175568      4.098433      4.604998
  C      -4.136269      4.588568      5.345579
  C      -4.350948      5.215675      6.586419
  C      -6.692436      2.841944      8.653229
  C      -2.223043     -2.242761      8.737732
  C      -2.638812     -2.577411      7.310802
  O      -3.837915     -2.628019      6.938640
  N      -1.563728     -2.815110      6.483077
  C      -1.569382     -3.119800      5.111195
  C      -0.330074     -3.400967      4.520202
  C      -0.268500     -3.698180      3.171347
  C      -1.434049     -3.693840      2.395207
  F      -1.323231     -4.028453      1.085309
  C      -2.683371     -3.400947      2.937080
  C      -3.993368     -3.317146      2.183737
  O      -5.045248     -3.547631      2.774798
  C      -4.021901     -2.768383      0.756083
  C      -4.214693     -1.278437      0.923206
  C      -5.506635     -0.723252      0.993003
  C      -5.640514      0.587718      1.434411
  N      -4.591171      1.338078      1.775216
  C      -3.322246      0.853776      1.607163
  C      -3.106347     -0.475330      1.184832
  C      -2.730376     -3.136016      4.313731
  C      -6.097523     -6.776592     12.643401
  C      -6.332810     -7.084998     11.169487
  O      -6.326821     -8.217041     10.714012
  N      -6.553791     -5.973921     10.401421
  C      -6.810525     -5.878055      9.017404
  C      -6.930029     -6.989065      8.159702
  C      -7.192753     -6.798035      6.800282
  C      -7.327174     -5.525029      6.288948
  F      -7.611481     -5.415731      4.956253
  C      -7.213436     -4.392890      7.112050
  C      -7.328396     -2.975553      6.670753
  O      -7.383028     -2.112544      7.532446
  C      -7.376969     -2.641764      5.191241
  C      -7.152546     -1.190233      4.855617
  C      -8.183151     -0.381462      4.391193
  C      -7.866324      0.926009      4.034408
  N      -6.654129      1.465983      4.102323
  C      -5.635930      0.705221      4.580890
  C      -5.881146     -0.645523      4.961536
  C      -6.957061     -4.609388      8.482356
  H     -10.251124      0.421311      6.121928
  H     -10.498533     -0.252392      7.735394
  H     -11.387529      1.212302      7.246177
  H      -8.070140     -0.013013      7.494682
  H      -5.946576     -0.437637      8.017831
  H      -3.707925      0.342208      8.775975
  H      -5.472365      6.729636      8.717590
  H      -6.970554      5.775820      8.702695
  H      -7.754504      5.057867      6.524887
  H      -7.212667      3.920706      4.349426
  H      -3.509902      5.521255      7.210559
  H      -7.539526      3.534201      8.602538
  H      -1.656424     -1.307312      8.781509
  H      -3.121335     -2.130840      9.325954
  H      -1.572865     -3.025412      9.170787
  H      -0.632865     -2.783051      6.926717
  H       0.587292     -3.392799      5.126556
  H       0.678093     -3.941623      2.708997
  H      -3.085999     -2.979053      0.227317
  H      -4.865770     -3.225445      0.235332
  H      -6.389151     -1.316929      0.769209
  H      -6.623093      1.047007      1.565325
  H      -2.100552     -0.894100      1.145413
  H      -3.690541     -2.924622      4.743523
  H      -5.932933     -7.707882     13.178941
  H      -5.221154     -6.133300     12.772932
  H      -6.967547     -6.257669     13.079034
  H      -6.526142     -5.090422     10.896029
  H      -6.820729     -7.981357      8.565936
  H      -7.300563     -7.646597      6.122521
  H      -8.363094     -2.988147      4.816023
  H      -6.628952     -3.271329      4.664003
  H      -9.196129     -0.761799      4.287159
  H      -8.648213      1.583136      3.649284
  H      -5.078857     -1.285014      5.291176
  H      -6.875389     -3.727965      9.122888
  N      -4.296280      4.184255      1.948056
  H      -4.839165      5.023142      2.170452
  H      -4.405395      3.921879      0.954607
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.944784649840
  N      -2.996992      4.240065      4.766567
  Mo     -3.780196      2.910085      3.312162
  N      -4.410102      1.292020      4.616063
  C      -3.402815      0.491232      5.295815
  C      -2.220687      1.335378      5.724740
  N      -1.626408      2.004044      4.567856
  C      -0.843453      3.201687      4.895598
  C      -1.747015      4.273906      5.486135
  C      -0.882499      1.098779      3.685016
  C      -1.058646      1.557558      2.236965
  N      -2.447495      1.840578      2.023914
  H      -1.241204      5.255446      5.410105
  H      -1.909086      4.091710      6.563258
  H      -0.406216      3.568513      3.957385
  H      -0.009157      2.969953      5.584813
  H      -0.671532      0.791801      1.545634
  H      -0.474544      2.470631      2.056520
  H      -1.309536      0.092669      3.785748
  H       0.181250      1.047417      3.977766
  H      -3.820927      0.025027      6.201178
  H      -3.053531     -0.349633      4.662405
  H      -2.565906      2.103730      6.427471
  H      -1.476875      0.707911      6.254997
  C     -10.264918      0.418687      7.207143
  C      -9.186792      1.330551      7.734873
  O      -9.400935      2.500149      8.040852
  N      -7.960597      0.729962      7.837210
  C      -6.755938      1.285254      8.292628
  C      -5.648802      0.422333      8.333544
  C      -4.406080      0.904002      8.750697
  C      -4.267334      2.251668      9.135373
  F      -3.022258      2.705118      9.476400
  C      -5.348704      3.141141      9.105085
  C      -5.187372      4.596898      9.447765
  O      -4.478361      4.949935     10.339524
  C      -5.909957      5.619930      8.553410
  C      -5.690853      5.269805      7.102086
  C      -6.749627      4.894107      6.255227
  C      -6.452932      4.300460      5.029945
  N      -5.192304      4.087862      4.638889
  C      -4.155388      4.566485      5.388461
  C      -4.377490      5.162727      6.642090
  C      -6.598377      2.638325      8.676214
  C      -2.363143     -2.371980      8.719793
  C      -2.746411     -2.667225      7.277255
  O      -3.920361     -2.710811      6.903255
  N      -1.669201     -2.871561      6.436459
  C      -1.647777     -3.134525      5.044543
  C      -0.392858     -3.382683      4.439217
  C      -0.296734     -3.637877      3.060920
  C      -1.451973     -3.625154      2.276817
  F      -1.309429     -3.915555      0.938986
  C      -2.717742     -3.365096      2.833020
  C      -4.015204     -3.270415      2.070995
  O      -5.075660     -3.519729      2.644960
  C      -4.012727     -2.680168      0.655399
  C      -4.197027     -1.199048      0.863022
  C      -5.478200     -0.650830      0.931269
  C      -5.618277      0.639031      1.399706
  N      -4.581434      1.381003      1.761397
  C      -3.316221      0.905015      1.593337
  C      -3.098347     -0.408349      1.151901
  C      -2.797443     -3.141225      4.236575
  C      -6.276794     -6.414443     12.778173
  C      -6.414084     -6.800283     11.318261
  O      -6.312117     -7.966069     10.920222
  N      -6.662321     -5.717938     10.491510
  C      -6.845769     -5.690907      9.103814
  C      -6.849784     -6.851534      8.304983
  C      -7.041558     -6.728934      6.939403
  C      -7.219454     -5.470552      6.363805
  F      -7.420985     -5.425406      5.032319
  C      -7.217423     -4.291020      7.125682
  C      -7.375187     -2.888120      6.610142
  O      -7.513415     -1.952936      7.434316
  C      -7.360562     -2.631259      5.118080
  C      -7.162393     -1.185420      4.768666
  C      -8.197222     -0.387897      4.246342
  C      -7.879225      0.923639      3.896368
  N      -6.662205      1.469909      4.016698
  C      -5.646814      0.715361      4.539594
  C      -5.895526     -0.631775      4.923037
  C      -7.033512     -4.438877      8.502148
  H     -10.061437      0.176230      6.162170
  H     -10.297439     -0.529531      7.774888
  H     -11.231184      0.928635      7.275320
  H      -7.886976     -0.242697      7.528679
  H      -5.775683     -0.623301      8.015536
  H      -3.537152      0.239673      8.757916
  H      -5.497265      6.601580      8.809790
  H      -6.988794      5.630534      8.800306
  H      -7.788086      4.980264      6.580091
  H      -7.231863      3.907083      4.379491
  H      -3.538329      5.455971      7.275040
  H      -7.461872      3.296688      8.638146
  H      -1.805855     -1.421784      8.790592
  H      -3.282577     -2.293062      9.328608
  H      -1.725391     -3.162957      9.122038
  H      -0.754208     -2.846709      6.882149
  H       0.516194     -3.380645      5.050887
  H       0.669474     -3.853521      2.583170
  H      -3.074375     -2.877854      0.132425
  H      -4.849164     -3.118703      0.102363
  H      -6.351455     -1.239235      0.685236
  H      -6.595130      1.086395      1.531446
  H      -2.098623     -0.824088      1.110091
  H      -3.778896     -2.955177      4.680847
  H      -6.083036     -7.324325     13.364001
  H      -5.446861     -5.701261     12.925038
  H      -7.196465     -5.932285     13.140443
  H      -6.714392     -4.803987     10.944048
  H      -6.704841     -7.831480      8.763279
  H      -7.058540     -7.614886      6.304435
  H      -8.304927     -3.023714      4.713112
  H      -6.579552     -3.245673      4.651201
  H      -9.208904     -0.782184      4.102051
  H      -8.656477      1.576535      3.472291
  H      -5.089597     -1.269199      5.292883
  H      -7.037251     -3.521893      9.097231
  N      -4.299977      4.228540      1.960246
  H      -4.842911      5.063000      2.175753
  H      -4.397426      3.987455      0.982439
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.943828163598
  N      -2.984178      4.238375      4.793521
  Mo     -3.761755      2.904971      3.334632
  N      -4.402051      1.287200      4.642218
  C      -3.403420      0.479950      5.335164
  C      -2.223228      1.321524      5.769912
  N      -1.615619      1.986984      4.609350
  C      -0.832584      3.182557      4.938338
  C      -1.737294      4.263724      5.519754
  C      -0.867477      1.074721      3.734349
  C      -1.028043      1.533807      2.279608
  N      -2.420035      1.824181      2.056319
  H      -1.223775      5.240623      5.441695
  H      -1.908136      4.086494      6.598551
  H      -0.386149      3.543824      3.999648
  H      -0.004136      2.948789      5.636125
  H      -0.636757      0.765026      1.592501
  H      -0.437442      2.447773      2.097353
  H      -1.299703      0.071823      3.839479
  H       0.198520      1.018304      4.032716
  H      -3.832786      0.017658      6.242634
  H      -3.053803     -0.365655      4.706278
  H      -2.573259      2.094537      6.467285
  H      -1.484937      0.691577      6.309850
  C     -10.322294      0.582418      7.131789
  C      -9.246467      1.489995      7.696354
  O      -9.477261      2.656829      8.016735
  N      -8.011711      0.877888      7.812461
  C      -6.813077      1.399663      8.285848
  C      -5.708807      0.522175      8.342016
  C      -4.468270      0.975092      8.781186
  C      -4.332094      2.298887      9.169522
  F      -3.095754      2.717649      9.526107
  C      -5.407355      3.200609      9.119798
  C      -5.250863      4.660925      9.458088
  O      -4.551924      5.069340     10.425160
  C      -5.950893      5.673862      8.523850
  C      -5.693892      5.300794      7.090617
  C      -6.742382      4.918828      6.235491
  C      -6.437207      4.312507      5.020696
  N      -5.174550      4.095462      4.644318
  C      -4.145012      4.573125      5.403478
  C      -4.374162      5.181413      6.652479
  C      -6.651284      2.728990      8.671741
  C      -2.446376     -2.362360      8.590855
  C      -2.805359     -2.675272      7.169770
  O      -3.950112     -2.715103      6.783722
  N      -1.728260     -2.893224      6.364104
  C      -1.697653     -3.172314      5.006220
  C      -0.458113     -3.438740      4.429950
  C      -0.361257     -3.712995      3.083396
  C      -1.496717     -3.698307      2.305822
  F      -1.357195     -4.004937      1.000823
  C      -2.742989     -3.419537      2.836834
  C      -4.022138     -3.318862      2.077437
  O      -5.064652     -3.549202      2.649547
  C      -4.017158     -2.736544      0.664187
  C      -4.190525     -1.237372      0.872210
  C      -5.481943     -0.675399      0.936522
  C      -5.617014      0.630149      1.409035
  N      -4.565763      1.375136      1.779920
  C      -3.294076      0.885266      1.616557
  C      -3.077178     -0.442416      1.171440
  C      -2.825235     -3.177567      4.206756
  C      -6.104917     -6.520682     12.763899
  C      -6.272973     -6.885626     11.302360
  O      -6.175063     -8.049021     10.893733
  N      -6.544225     -5.790050     10.484390
  C      -6.760289     -5.744473      9.096538
  C      -6.780771     -6.894869      8.288528
  C      -7.005347     -6.754150      6.924128
  C      -7.198361     -5.485947      6.359827
  F      -7.434887     -5.421921      5.029362
  C      -7.179477     -4.316871      7.130126
  C      -7.348460     -2.908234      6.623927
  O      -7.484560     -1.979868      7.436381
  C      -7.344101     -2.639971      5.140646
  C      -7.151241     -1.192408      4.792038
  C      -8.189605     -0.389549      4.271431
  C      -7.869568      0.925679      3.920021
  N      -6.651681      1.469043      4.038419
  C      -5.637864      0.711469      4.560435
  C      -5.883164     -0.637272      4.943183
  C      -6.964963     -4.482859      8.503878
  H     -10.095151      0.349394      6.078133
  H     -10.359657     -0.375254      7.681584
  H     -11.308573      1.096057      7.193863
  H      -7.934718     -0.088200      7.493478
  H      -5.831921     -0.511130      8.019773
  H      -3.591282      0.304032      8.799774
  H      -5.549121      6.666975      8.789901
  H      -7.034939      5.685316      8.725038
  H      -7.782997      5.014810      6.545894
  H      -7.210153      3.918434      4.363435
  H      -3.541676      5.476799      7.292162
  H      -7.506327      3.398615      8.618896
  H      -1.895221     -1.415751      8.646695
  H      -3.373246     -2.267829      9.164794
  H      -1.812540     -3.144331      9.030690
  H      -0.828835     -2.865385      6.812782
  H       0.435765     -3.437482      5.041487
  H       0.591968     -3.943854      2.627502
  H      -3.079198     -2.951151      0.143122
  H      -4.868260     -3.172663      0.110754
  H      -6.367820     -1.265039      0.684326
  H      -6.599113      1.087541      1.536358
  H      -2.070473     -0.865688      1.135756
  H      -3.800195     -2.974859      4.632678
  H      -5.895299     -7.438941     13.340706
  H      -5.269845     -5.808582     12.895944
  H      -7.020294     -6.046930     13.153574
  H      -6.588623     -4.882891     10.946020
  H      -6.623481     -7.881291      8.739477
  H      -7.037217     -7.630222      6.280068
  H      -8.285112     -3.035656      4.742996
  H      -6.567538     -3.242691      4.669167
  H      -9.201111     -0.781455      4.127299
  H      -8.646606      1.582212      3.497453
  H      -5.070382     -1.276569      5.314249
  H      -6.955727     -3.574622      9.106909
  N      -4.266210      4.225990      1.975195
  H      -4.805269      5.062836      2.186251
  H      -4.367412      3.984108      0.996036
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.944423672973
  N      -2.975564      4.235999      4.747459
  Mo     -3.760965      2.887027      3.310438
  N      -4.398460      1.277692      4.643312
  C      -3.389264      0.480703      5.330040
  C      -2.204069      1.326095      5.746560
  N      -1.608346      1.979890      4.578257
  C      -0.823520      3.179434      4.887806
  C      -1.724475      4.269013      5.464465
  C      -0.864907      1.055733      3.711097
  C      -1.036259      1.500536      2.256763
  N      -2.430098      1.792211      2.038200
  H      -1.213706      5.244534      5.372344
  H      -1.886431      4.103063      6.547032
  H      -0.384388      3.530739      3.942404
  H       0.009831      2.952860      5.581469
  H      -0.650586      0.723320      1.575259
  H      -0.445493      2.412687      2.063001
  H      -1.296451      0.052609      3.827355
  H       0.203098      1.001322      4.003325
  H      -3.805540      0.029841      6.248248
  H      -3.046968     -0.372395      4.706640
  H      -2.548242      2.103351      6.441104
  H      -1.460319      0.700695      6.284870
  C     -10.421062      0.833253      7.112056
  C      -9.331925      1.726906      7.684201
  O      -9.532855      2.903498      8.009021
  N      -8.136546      1.091703      7.799049
  C      -6.930394      1.576904      8.274025
  C      -5.872793      0.670075      8.340515
  C      -4.637065      1.075553      8.779064
  C      -4.448790      2.375677      9.154082
  F      -3.209927      2.749602      9.514514
  C      -5.471930      3.304396      9.096617
  C      -5.250412      4.733553      9.429243
  O      -4.538027      5.095998     10.366561
  C      -5.916468      5.736241      8.481037
  C      -5.668693      5.338626      7.047769
  C      -6.720672      4.953183      6.197621
  C      -6.420481      4.327040      4.991051
  N      -5.163654      4.097858      4.610592
  C      -4.130609      4.579674      5.359571
  C      -4.352609      5.202200      6.603188
  C      -6.715782      2.886261      8.652308
  C      -2.353492     -2.249129      8.684130
  C      -2.739825     -2.593284      7.256575
  O      -3.925448     -2.642892      6.872205
  N      -1.640366     -2.832729      6.431551
  C      -1.616665     -3.142812      5.056041
  C      -0.358298     -3.419854      4.465439
  C      -0.269924     -3.717036      3.110315
  C      -1.430374     -3.717968      2.334068
  F      -1.294980     -4.050980      1.018885
  C      -2.699600     -3.431975      2.879902
  C      -4.005054     -3.352381      2.121169
  O      -5.065239     -3.590328      2.701268
  C      -4.010881     -2.784883      0.697457
  C      -4.196176     -1.288442      0.890793
  C      -5.492075     -0.727672      0.954906
  C      -5.627534      0.586327      1.415429
  N      -4.573288      1.337509      1.776092
  C      -3.302754      0.848863      1.612745
  C      -3.086484     -0.486189      1.177388
  C      -2.770446     -3.165965      4.255913
  C      -6.026752     -6.814032     12.666992
  C      -6.243472     -7.123138     11.198163
  O      -6.201873     -8.259568     10.740895
  N      -6.492538     -6.004931     10.435087
  C      -6.745709     -5.904649      9.053966
  C      -6.830747     -7.017184      8.192873
  C      -7.093289     -6.822001      6.835640
  C      -7.259930     -5.542386      6.330982
  F      -7.538915     -5.427632      5.002825
  C      -7.178376     -4.409239      7.156529
  C      -7.322642     -2.989838      6.718160
  O      -7.407549     -2.126144      7.565189
  C      -7.355324     -2.659712      5.237750
  C      -7.144402     -1.205753      4.892354
  C      -8.182230     -0.398248      4.418561
  C      -7.866828      0.912350      4.052164
  N      -6.653741      1.453006      4.115278
  C      -5.634575      0.697982      4.597356
  C      -5.877597     -0.652975      4.994327
  C      -6.924611     -4.629496      8.523592
  H     -10.199197      0.593287      6.053090
  H     -10.493177     -0.115043      7.654855
  H     -11.365443      1.361350      7.175619
  H      -8.094495      0.119763      7.479522
  H      -6.031510     -0.355231      8.027366
  H      -3.809619      0.384593      8.809701
  H      -5.491800      6.719309      8.724900
  H      -6.992605      5.772623      8.691437
  H      -7.758604      5.060929      6.508116
  H      -7.196370      3.930882      4.336584
  H      -3.515481      5.501404      7.234701
  H      -7.532448      3.580848      8.594299
  H      -1.784214     -1.306747      8.726751
  H      -3.270240     -2.133868      9.264556
  H      -1.715582     -3.034733      9.128557
  H      -0.718098     -2.795767      6.881168
  H       0.554119     -3.406878      5.075205
  H       0.692126     -3.956070      2.644655
  H      -3.072580     -2.997531      0.173482
  H      -4.858928     -3.228668      0.153821
  H      -6.377264     -1.321520      0.711703
  H      -6.610603      1.046328      1.541558
  H      -2.077181     -0.906544      1.140839
  H      -3.748551     -2.957771      4.689418
  H      -5.840220     -7.747969     13.199372
  H      -5.167999     -6.142485     12.802891
  H      -6.912797     -6.320818     13.097685
  H      -6.492224     -5.120649     10.932846
  H      -6.695102     -8.014713      8.594566
  H      -7.175308     -7.670539      6.154257
  H      -8.330607     -3.021159      4.855288
  H      -6.597184     -3.276604      4.723084
  H      -9.194949     -0.780876      4.316730
  H      -8.650225      1.568471      3.662257
  H      -5.067234     -1.288133      5.336376
  H      -6.868611     -3.747806      9.167434
  N      -4.270511      4.195287      1.948686
  H      -4.808016      5.036907      2.161544
  H      -4.377796      3.939079      0.958182
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.944130231004
  N      -2.983576      4.246877      4.738143
  Mo     -3.770154      2.896411      3.304882
  N      -4.393631      1.286127      4.634237
  C      -3.383008      0.495049      5.319107
  C      -2.199385      1.346767      5.731374
  N      -1.612516      1.999983      4.563794
  C      -0.830321      3.202008      4.871325
  C      -1.731285      4.285728      5.450866
  C      -0.873183      1.081387      3.692316
  C      -1.052950      1.523202      2.241336
  N      -2.443804      1.808098      2.027595
  H      -1.223790      5.262836      5.356803
  H      -1.888204      4.120593      6.532414
  H      -0.396131      3.555227      3.925989
  H       0.005958      2.979691      5.561490
  H      -0.668172      0.747851      1.558858
  H      -0.468590      2.434160      2.046307
  H      -1.301350      0.078320      3.807649
  H       0.191848      1.030624      3.980676
  H      -3.797137      0.044768      6.234381
  H      -3.039454     -0.355904      4.694930
  H      -2.542955      2.124018      6.425277
  H      -1.452219      0.726786      6.266915
  C     -10.418452      0.607859      7.167881
  C      -9.314297      1.511877      7.698941
  O      -9.514244      2.693432      7.996177
  N      -8.086436      0.893336      7.819440
  C      -6.846296      1.433767      8.287783
  C      -5.734194      0.545992      8.354387
  C      -4.473923      1.007323      8.780274
  C      -4.313926      2.357768      9.151096
  F      -3.048673      2.798653      9.504213
  C      -5.391824      3.269718      9.096973
  C      -5.190069      4.714866      9.423767
  O      -4.483804      5.050683     10.318047
  C      -5.887718      5.722380      8.504378
  C      -5.666899      5.331979      7.059874
  C      -6.725114      4.945585      6.218277
  C      -6.430593      4.324402      5.004940
  N      -5.174673      4.100690      4.614589
  C      -4.137671      4.585183      5.356424
  C      -4.356612      5.202262      6.600981
  C      -6.661547      2.793326      8.659796
  C      -2.351767     -2.302389      8.728609
  C      -2.736469     -2.627309      7.295880
  O      -3.905600     -2.675400      6.914381
  N      -1.665444     -2.846407      6.459403
  C      -1.641205     -3.133560      5.069389
  C      -0.391848     -3.393810      4.469280
  C      -0.298398     -3.667605      3.101806
  C      -1.449221     -3.663670      2.321958
  F      -1.311241     -3.972821      0.998387
  C      -2.709373     -3.394571      2.873259
  C      -4.003722     -3.310333      2.112811
  O      -5.066557     -3.561190      2.688405
  C      -4.008039     -2.731018      0.693528
  C      -4.195269     -1.247063      0.894742
  C      -5.480310     -0.694891      0.963082
  C      -5.616979      0.602877      1.422227
  N      -4.575668      1.349422      1.775240
  C      -3.313235      0.868347      1.607702
  C      -3.097593     -0.451687      1.177015
  C      -2.784378     -3.150229      4.262525
  C      -6.156281     -6.652050     12.686455
  C      -6.338384     -6.992159     11.222312
  O      -6.278166     -8.131467     10.785310
  N      -6.578156     -5.896724     10.441548
  C      -6.800226     -5.826746      9.059640
  C      -6.856591     -6.955947      8.216173
  C      -7.089110     -6.790188      6.854940
  C      -7.255427     -5.525503      6.328749
  F      -7.504115     -5.437474      4.996466
  C      -7.201433     -4.377285      7.137807
  C      -7.346388     -2.967833      6.679248
  O      -7.452203     -2.096783      7.532450
  C      -7.352651     -2.653310      5.193321
  C      -7.140949     -1.200605      4.846088
  C      -8.171062     -0.401814      4.353241
  C      -7.854783      0.906291      3.993477
  N      -6.645479      1.453283      4.078002
  C      -5.629683      0.703493      4.577298
  C      -5.877009     -0.645046      4.969174
  C      -6.976275     -4.567733      8.509963
  H     -10.220796      0.342967      6.115668
  H     -10.467680     -0.324520      7.740715
  H     -11.372282      1.130000      7.231789
  H      -8.033477     -0.092149      7.516017
  H      -5.875710     -0.504176      8.048779
  H      -3.614149      0.330670      8.804317
  H      -5.465333      6.704922      8.740159
  H      -6.962656      5.748784      8.744449
  H      -7.760990      5.046757      6.539369
  H      -7.209722      3.924598      4.357884
  H      -3.516030      5.501895      7.227223
  H      -7.523493      3.473676      8.603088
  H      -1.801368     -1.350294      8.764411
  H      -3.257530     -2.208834      9.329937
  H      -1.712736     -3.084871      9.161579
  H      -0.757647     -2.813101      6.904658
  H       0.511284     -3.384811      5.078535
  H       0.657595     -3.891670      2.631652
  H      -3.073340     -2.936126      0.166066
  H      -4.847357     -3.171118      0.149816
  H      -6.356497     -1.284915      0.723748
  H      -6.594766      1.054397      1.552369
  H      -2.094928     -0.865873      1.136486
  H      -3.751590     -2.956355      4.699092
  H      -5.975191     -7.571629     13.235109
  H      -5.310162     -5.969654     12.832408
  H      -7.050905     -6.160074     13.086429
  H      -6.596142     -5.002887     10.923337
  H      -6.721518     -7.942270      8.635166
  H      -7.147747     -7.653040      6.188389
  H      -8.319177     -3.021312      4.793235
  H      -6.580789     -3.274332      4.697239
  H      -9.181323     -0.789310      4.233423
  H      -8.635342      1.557013      3.590173
  H      -5.075321     -1.275478      5.322326
  H      -6.941109     -3.672656      9.138280
  N      -4.288503      4.196789      1.945159
  H      -4.830404      5.036945      2.162311
  H      -4.395853      3.941957      0.956609
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.943533066144
  N      -3.003326      4.237942      4.790165
  Mo     -3.783614      2.903244      3.331547
  N      -4.405386      1.285665      4.626407
  C      -3.401333      0.482160      5.313295
  C      -2.223212      1.327865      5.745510
  N      -1.627250      1.998844      4.586551
  C      -0.846972      3.198465      4.915338
  C      -1.752521      4.271045      5.506560
  C      -0.881144      1.093930      3.703207
  C      -1.054087      1.555626      2.252515
  N      -2.444570      1.838035      2.039545
  H      -1.246914      5.252357      5.427955
  H      -1.913794      4.089487      6.585723
  H      -0.409627      3.564869      3.974931
  H      -0.012252      2.966579      5.606111
  H      -0.664858      0.790735      1.560251
  H      -0.470350      2.469984      2.071084
  H      -1.307924      0.088766      3.805239
  H       0.183228      1.041695      3.995515
  H      -3.824769      0.017755      6.219133
  H      -3.049663     -0.359634      4.682215
  H      -2.572825      2.096708      6.447066
  H      -1.479734      0.700940      6.278622
  C     -10.227256      0.400240      7.179784
  C      -9.166978      1.305932      7.729087
  O      -9.395497      2.465994      8.050397
  N      -7.931782      0.707561      7.830033
  C      -6.736428      1.262583      8.298612
  C      -5.618077      0.405759      8.345758
  C      -4.381614      0.889320      8.773964
  C      -4.262079      2.238761      9.167219
  F      -3.026911      2.692958      9.514944
  C      -5.359776      3.127695      9.127053
  C      -5.228612      4.601729      9.467715
  O      -4.537000      5.002835     10.415241
  C      -5.951737      5.620073      8.550297
  C      -5.704822      5.263229      7.110759
  C      -6.760075      4.879406      6.262890
  C      -6.461555      4.284025      5.040022
  N      -5.197532      4.080626      4.654271
  C      -4.163027      4.562158      5.409601
  C      -4.387293      5.159601      6.663229
  C      -6.600670      2.616968      8.685644
  C      -2.351191     -2.398851      8.661195
  C      -2.737522     -2.701957      7.229025
  O      -3.905495     -2.762235      6.867655
  N      -1.665575     -2.885786      6.391792
  C      -1.654981     -3.149466      5.018591
  C      -0.407657     -3.391703      4.427900
  C      -0.318133     -3.651753      3.066815
  C      -1.473837     -3.645458      2.286318
  F      -1.340836     -3.936052      0.966463
  C      -2.730165     -3.389631      2.827613
  C      -4.024169     -3.298396      2.062322
  O      -5.066971     -3.547910      2.625168
  C      -4.025745     -2.696740      0.658446
  C      -4.198025     -1.209262      0.868219
  C      -5.484310     -0.658357      0.942990
  C      -5.624620      0.631675      1.415366
  N      -4.584074      1.374447      1.777906
  C      -3.312837      0.897971      1.603779
  C      -3.090371     -0.416874      1.157084
  C      -2.805675     -3.163204      4.216592
  C      -6.253467     -6.347235     12.803170
  C      -6.394246     -6.739414     11.336785
  O      -6.295971     -7.908974     10.941605
  N      -6.644336     -5.662230     10.497755
  C      -6.835874     -5.645172      9.101135
  C      -6.845349     -6.811558      8.308167
  C      -7.047055     -6.700025      6.933867
  C      -7.229703     -5.445646      6.343713
  F      -7.446244     -5.410196      5.002966
  C      -7.221962     -4.261095      7.097765
  C      -7.385858     -2.861013      6.562548
  O      -7.542754     -1.901508      7.380079
  C      -7.357264     -2.623057      5.069636
  C      -7.161021     -1.179860      4.735568
  C      -8.195132     -0.377630      4.215171
  C      -7.876649      0.937361      3.881968
  N      -6.655956      1.479896      4.015514
  C      -5.643372      0.714494      4.537204
  C      -5.892478     -0.631550      4.905158
  C      -7.028376     -4.397577      8.483389
  H     -10.012331      0.181937      6.138570
  H     -10.253334     -0.563275      7.729275
  H     -11.203680      0.905021      7.252616
  H      -7.848763     -0.258788      7.513126
  H      -5.729474     -0.632070      8.025406
  H      -3.500286      0.235360      8.782585
  H      -5.558935      6.614983      8.821724
  H      -7.036927      5.616905      8.762606
  H      -7.799609      4.963872      6.584592
  H      -7.240359      3.887107      4.389141
  H      -3.551728      5.456707      7.300323
  H      -7.471688      3.269564      8.639053
  H      -1.808423     -1.439596      8.732462
  H      -3.276504     -2.329883      9.258953
  H      -1.693684     -3.173846      9.070427
  H      -0.746530     -2.845558      6.827223
  H       0.501982     -3.384543      5.039053
  H       0.643955     -3.864760      2.601377
  H      -3.090704     -2.904117      0.129572
  H      -4.874043     -3.123590      0.113511
  H      -6.363170     -1.248769      0.698739
  H      -6.607139      1.081395      1.553109
  H      -2.085497     -0.833173      1.112605
  H      -3.788294     -2.979642      4.651215
  H      -6.061497     -7.253351     13.396907
  H      -5.418786     -5.640069     12.945624
  H      -7.173966     -5.859903     13.168708
  H      -6.694514     -4.746407     10.947241
  H      -6.697973     -7.786812      8.778592
  H      -7.069673     -7.589480      6.301911
  H      -8.295166     -3.017917      4.656407
  H      -6.572450     -3.235257      4.610792
  H      -9.205923     -0.773300      4.058370
  H      -8.652318      1.596124      3.461949
  H      -5.087574     -1.274571      5.277115
  H      -7.029029     -3.477094      9.073052
  N      -4.305849      4.222697      1.988910
  H      -4.848188      5.056430      2.211264
  H      -4.413409      3.981383      1.014085
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.945896626223
  N      -2.982567      4.242334      4.754084
  Mo     -3.764573      2.890359      3.317533
  N      -4.390584      1.277707      4.644071
  C      -3.381712      0.482280      5.334825
  C      -2.201260      1.334074      5.751551
  N      -1.609197      1.993036      4.579598
  C      -0.828129      3.196200      4.888772
  C      -1.731764      4.282079      5.468471
  C      -0.861166      1.071037      3.710591
  C      -1.033683      1.518197      2.257492
  N      -2.428861      1.805142      2.042024
  H      -1.225623      5.259811      5.375910
  H      -1.890188      4.115311      6.551411
  H      -0.392038      3.550694      3.942736
  H       0.007047      2.972134      5.581122
  H      -0.645941      0.743923      1.573375
  H      -0.447235      2.432944      2.064368
  H      -1.289562      0.066536      3.824228
  H       0.206422      1.019085      4.002989
  H      -3.799822      0.032612      6.253541
  H      -3.037735     -0.370387      4.711649
  H      -2.548714      2.110192      6.446569
  H      -1.454891      0.711806      6.290104
  C     -10.369638      0.725398      7.149253
  C      -9.277481      1.640971      7.716194
  O      -9.489424      2.823117      8.036174
  N      -8.067681      1.015633      7.832972
  C      -6.868200      1.514054      8.300637
  C      -5.803425      0.617836      8.368033
  C      -4.569749      1.040928      8.799103
  C      -4.395913      2.348517      9.167603
  F      -3.159461      2.737630      9.525102
  C      -5.430777      3.266593      9.111422
  C      -5.234531      4.710641      9.440723
  O      -4.507540      5.104211     10.382198
  C      -5.920952      5.713509      8.494969
  C      -5.676099      5.325244      7.060207
  C      -6.728321      4.937174      6.212017
  C      -6.429773      4.316216      5.003241
  N      -5.171241      4.094991      4.620211
  C      -4.137404      4.580227      5.369047
  C      -4.359817      5.198160      6.614408
  C      -6.670402      2.827545      8.670815
  C      -2.457775     -2.314872      8.638022
  C      -2.812669     -2.649317      7.206354
  O      -3.964975     -2.709063      6.804911
  N      -1.721225     -2.866307      6.405088
  C      -1.679342     -3.157581      5.038097
  C      -0.429209     -3.416450      4.465641
  C      -0.317997     -3.692151      3.111793
  C      -1.451214     -3.690425      2.322892
  F      -1.293838     -3.999089      1.006528
  C      -2.712045     -3.423972      2.853812
  C      -3.993907     -3.344210      2.083962
  O      -5.048454     -3.602245      2.652446
  C      -3.992924     -2.767145      0.665954
  C      -4.185220     -1.275668      0.879229
  C      -5.483770     -0.720758      0.947007
  C      -5.624504      0.590226      1.419276
  N      -4.571777      1.343846      1.782973
  C      -3.299188      0.860173      1.615244
  C      -3.077047     -0.471123      1.174018
  C      -2.806386     -3.177463      4.228564
  C      -6.087073     -6.697108     12.700596
  C      -6.268055     -7.027670     11.236820
  O      -6.187258     -8.177790     10.799844
  N      -6.530101     -5.917956     10.449225
  C      -6.752203     -5.842795      9.068411
  C      -6.785287     -6.971071      8.237161
  C      -7.013478     -6.803137      6.883010
  C      -7.199995     -5.528531      6.350677
  F      -7.440521     -5.441315      5.028403
  C      -7.170962     -4.379445      7.143628
  C      -7.338550     -2.963983      6.674728
  O      -7.468371     -2.068740      7.502927
  C      -7.337936     -2.655684      5.195338
  C      -7.138521     -1.203865      4.852418
  C      -8.178992     -0.397027      4.359091
  C      -7.861728      0.917245      4.000507
  N      -6.644863      1.458947      4.085471
  C      -5.626698      0.701104      4.583865
  C      -5.870814     -0.647728      4.977128
  C      -6.949822     -4.573607      8.508009
  H     -10.149454      0.478171      6.090895
  H     -10.432889     -0.220115      7.698056
  H     -11.330273      1.246470      7.215608
  H      -8.021018      0.042847      7.520465
  H      -5.953283     -0.414060      8.061180
  H      -3.730679      0.357375      8.832362
  H      -5.500364      6.697598      8.743944
  H      -6.998414      5.741858      8.708269
  H      -7.766362      5.038013      6.525818
  H      -7.205673      3.918337      4.350444
  H      -3.522883      5.498844      7.245755
  H      -7.498540      3.511089      8.610049
  H      -1.911363     -1.371375      8.688399
  H      -3.374680     -2.220389      9.206880
  H      -1.825853     -3.090628      9.092250
  H      -0.818481     -2.825080      6.869015
  H       0.463880     -3.404529      5.087594
  H       0.643737     -3.915983      2.656446
  H      -3.054627     -2.968576      0.141749
  H      -4.835957     -3.211140      0.111664
  H      -6.366081     -1.316796      0.698340
  H      -6.609520      1.044975      1.548285
  H      -2.065912     -0.886614      1.132863
  H      -3.785467     -2.980336      4.652741
  H      -5.887981     -7.624900     13.250215
  H      -5.248105     -6.001085     12.841691
  H      -6.989341     -6.221349     13.107962
  H      -6.563211     -5.025371     10.929755
  H      -6.633790     -7.962113      8.661084
  H      -7.053733     -7.662976      6.222395
  H      -8.292265     -3.032698      4.795466
  H      -6.565519     -3.259957      4.705617
  H      -9.190477     -0.784225      4.241407
  H      -8.642774      1.574734      3.599160
  H      -5.059115     -1.284172      5.335846
  H      -6.931304     -3.681338      9.129254
  N      -4.281456      4.199749      1.954967
  H      -4.819534      5.037432      2.164548
  H      -4.385292      3.949060      0.974743
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.946027539458
  N      -2.973209      4.238149      4.757856
  Mo     -3.756613      2.887406      3.318670
  N      -4.400207      1.279677      4.650294
  C      -3.397237      0.483601      5.346214
  C      -2.210185      1.328996      5.763860
  N      -1.608828      1.978272      4.598039
  C      -0.822052      3.174962      4.909422
  C      -1.722476      4.266423      5.480287
  C      -0.866380      1.053922      3.733654
  C      -1.030355      1.499409      2.276576
  N      -2.423521      1.793287      2.050545
  H      -1.205164      5.240139      5.387226
  H      -1.888015      4.103815      6.562239
  H      -0.376556      3.524099      3.966522
  H       0.007706      2.948035      5.607220
  H      -0.643043      0.720724      1.598373
  H      -0.436333      2.410040      2.084418
  H      -1.304383      0.051385      3.847360
  H       0.200977      0.995194      4.032167
  H      -3.821702      0.038983      6.263417
  H      -3.053363     -0.372920      4.728018
  H      -2.556746      2.109251      6.454314
  H      -1.468540      0.705103      6.306900
  C     -10.433876      0.784422      7.095734
  C      -9.345974      1.658356      7.653188
  O      -9.546703      2.823130      7.960601
  N      -8.134736      1.025507      7.780861
  C      -6.908352      1.524962      8.264862
  C      -5.812369      0.626855      8.347464
  C      -4.561859      1.064058      8.796215
  C      -4.399273      2.388175      9.166321
  F      -3.145936      2.795733      9.535138
  C      -5.457604      3.307322      9.093563
  C      -5.247286      4.741893      9.421253
  O      -4.548981      5.080897     10.343179
  C      -5.917264      5.747108      8.486806
  C      -5.673493      5.347383      7.049857
  C      -6.723763      4.966873      6.196016
  C      -6.419143      4.340802      4.989041
  N      -5.161841      4.108212      4.611938
  C      -4.130897      4.585018      5.364521
  C      -4.357718      5.205171      6.608298
  C      -6.715408      2.858327      8.638923
  C      -2.342113     -2.271756      8.666949
  C      -2.743248     -2.614492      7.248569
  O      -3.939704     -2.669521      6.888925
  N      -1.652461     -2.842056      6.405052
  C      -1.638187     -3.148414      5.033694
  C      -0.379330     -3.418426      4.433669
  C      -0.295150     -3.711305      3.085712
  C      -1.459852     -3.713514      2.320568
  F      -1.331031     -4.040125      1.013336
  C      -2.727065     -3.433494      2.869475
  C      -4.028426     -3.352313      2.108153
  O      -5.090152     -3.593908      2.676521
  C      -4.021788     -2.764349      0.692558
  C      -4.192405     -1.269844      0.895183
  C      -5.481746     -0.707692      0.956217
  C      -5.614347      0.597578      1.417602
  N      -4.562867      1.343127      1.782737
  C      -3.297383      0.854393      1.622222
  C      -3.084486     -0.475261      1.187668
  C      -2.796438     -3.173607      4.243650
  C      -6.026913     -6.756360     12.699512
  C      -6.234459     -7.079392     11.224173
  O      -6.169534     -8.217482     10.773380
  N      -6.501625     -5.969280     10.451233
  C      -6.752588     -5.880879      9.063093
  C      -6.818462     -7.001142      8.200907
  C      -7.081328     -6.816769      6.834931
  C      -7.264889     -5.541419      6.323170
  F      -7.544239     -5.436008      4.986101
  C      -7.198246     -4.401383      7.151031
  C      -7.352591     -2.986099      6.707140
  O      -7.460320     -2.123181      7.557999
  C      -7.358852     -2.662092      5.222847
  C      -7.148303     -1.205696      4.878777
  C      -8.182026     -0.401060      4.391054
  C      -7.865126      0.908726      4.026926
  N      -6.653868      1.451368      4.102709
  C      -5.636900      0.699498      4.597676
  C      -5.883300     -0.650474      4.996001
  C      -6.947563     -4.610363      8.526374
  H     -10.221768      0.545981      6.040248
  H     -10.485784     -0.161326      7.654169
  H     -11.390478      1.309342      7.153087
  H      -8.087237      0.056955      7.472199
  H      -5.951277     -0.413212      8.039654
  H      -3.702668      0.384279      8.837957
  H      -5.495606      6.729942      8.726348
  H      -6.994180      5.778702      8.706167
  H      -7.762184      5.078493      6.503642
  H      -7.192162      3.947768      4.331540
  H      -3.522534      5.499325      7.243693
  H      -7.564477      3.543650      8.568778
  H      -1.779865     -1.302650      8.696518
  H      -3.269336     -2.172107      9.277435
  H      -1.687275     -3.065796      9.091560
  H      -0.726720     -2.801010      6.835921
  H       0.535510     -3.403622      5.033059
  H       0.665862     -3.944655      2.615849
  H      -3.085488     -2.985471      0.166898
  H      -4.874480     -3.189627      0.144169
  H      -6.364546     -1.296941      0.709469
  H      -6.593228      1.054750      1.542802
  H      -2.079270     -0.893916      1.154167
  H      -3.772443     -2.972007      4.682335
  H      -5.822712     -7.686046     13.242125
  H      -5.176146     -6.066509     12.835788
  H      -6.928470     -6.274558     13.124700
  H      -6.518158     -5.079680     10.946995
  H      -6.668235     -7.996225      8.608892
  H      -7.149921     -7.671770      6.152613
  H      -8.324255     -3.028029      4.820365
  H      -6.587001     -3.280443      4.726049
  H      -9.194337     -0.785058      4.276047
  H      -8.646914      1.563226      3.627470
  H      -5.076816     -1.282198      5.350447
  H      -6.904184     -3.722337      9.170149
  N      -4.255581      4.194033      1.953143
  H      -4.790734      5.038673      2.168081
  H      -4.365235      3.939076      0.962200
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.946271635657
  N      -2.996855      4.244469      4.747050
  Mo     -3.787063      2.895473      3.311352
  N      -4.396694      1.284368      4.622213
  C      -3.382868      0.493342      5.304432
  C      -2.202314      1.346447      5.717536
  N      -1.621914      2.007300      4.550839
  C      -0.840032      3.210369      4.860964
  C      -1.740490      4.287995      5.450873
  C      -0.883081      1.094466      3.670757
  C      -1.069440      1.542052      2.222564
  N      -2.459722      1.821610      2.017877
  H      -1.238515      5.268174      5.356848
  H      -1.889529      4.118681      6.532712
  H      -0.413667      3.569494      3.914359
  H       0.001362      2.985146      5.544662
  H      -0.685643      0.772167      1.533606
  H      -0.489872      2.454376      2.029911
  H      -1.306279      0.090275      3.783349
  H       0.181102      1.046068      3.955140
  H      -3.794344      0.040851      6.218027
  H      -3.038012     -0.354344      4.678282
  H      -2.545904      2.118841      6.416643
  H      -1.451603      0.726758      6.246583
  C     -10.302107      0.509251      7.192975
  C      -9.224130      1.426546      7.738892
  O      -9.446796      2.611563      8.066678
  N      -7.991879      0.814833      7.834337
  C      -6.774751      1.362302      8.302153
  C      -5.664943      0.482825      8.354767
  C      -4.422509      0.954104      8.780237
  C      -4.279019      2.308088      9.161709
  F      -3.034179      2.751796      9.505070
  C      -5.358193      3.214518      9.118256
  C      -5.185298      4.676165      9.447975
  O      -4.485801      5.037284     10.360502
  C      -5.903331      5.686837      8.528283
  C      -5.677415      5.303501      7.087007
  C      -6.739512      4.910481      6.250708
  C      -6.449310      4.296873      5.032758
  N      -5.191263      4.087961      4.634501
  C      -4.150477      4.575540      5.374881
  C      -4.365085      5.185483      6.625356
  C      -6.610839      2.724004      8.684282
  C      -2.367485     -2.352467      8.740248
  C      -2.752445     -2.670238      7.302143
  O      -3.914559     -2.736808      6.915521
  N      -1.684691     -2.854847      6.471106
  C      -1.656297     -3.129291      5.074972
  C      -0.396745     -3.365319      4.489798
  C      -0.287253     -3.625553      3.110332
  C      -1.437214     -3.631172      2.306091
  F      -1.284247     -3.923895      0.972522
  C      -2.708629     -3.386192      2.843387
  C      -4.002720     -3.314073      2.066986
  O      -5.061927     -3.589632      2.630024
  C      -4.011480     -2.716154      0.657619
  C      -4.198005     -1.233696      0.870022
  C      -5.485486     -0.689428      0.951132
  C      -5.629848      0.601996      1.422312
  N      -4.593272      1.350312      1.775705
  C      -3.325269      0.878933      1.594610
  C      -3.101858     -0.436055      1.151448
  C      -2.799141     -3.156428      4.244508
  C      -6.255767     -6.522505     12.714254
  C      -6.398988     -6.884724     11.256474
  O      -6.311658     -8.031732     10.841196
  N      -6.637095     -5.800741     10.455224
  C      -6.829541     -5.752198      9.072616
  C      -6.849993     -6.895695      8.251869
  C      -7.056219     -6.752038      6.887930
  C      -7.231654     -5.494217      6.337778
  F      -7.456031     -5.425321      5.004631
  C      -7.211414     -4.332655      7.123010
  C      -7.369521     -2.931371      6.630391
  O      -7.519666     -2.031481      7.464141
  C      -7.340199     -2.649214      5.145387
  C      -7.137056     -1.200736      4.802158
  C      -8.170353     -0.405578      4.298120
  C      -7.859227      0.906049      3.951584
  N      -6.647973      1.455704      4.054475
  C      -5.631623      0.703258      4.559384
  C      -5.874866     -0.643912      4.943912
  C      -7.012983     -4.500566      8.498044
  H     -10.094843      0.276660      6.141671
  H     -10.338088     -0.455838      7.734999
  H     -11.267470      1.023123      7.280980
  H      -7.923452     -0.172988      7.515252
  H      -5.793496     -0.563085      8.042757
  H      -3.556949      0.288466      8.797656
  H      -5.495802      6.682978      8.773676
  H      -6.984779      5.696142      8.759926
  H      -7.776489      5.001553      6.578011
  H      -7.232201      3.892002      4.389610
  H      -3.522295      5.488045      7.250939
  H      -7.469135      3.394729      8.637318
  H      -1.837318     -1.414936      8.799210
  H      -3.265251     -2.277170      9.323319
  H      -1.721182     -3.105558      9.175463
  H      -0.776268     -2.805731      6.921802
  H       0.504867     -3.349428      5.118914
  H       0.679671     -3.832278      2.652420
  H      -3.077702     -2.915031      0.125621
  H      -4.854199     -3.149469      0.114536
  H      -6.359126     -1.283887      0.713604
  H      -6.612346      1.046986      1.565147
  H      -2.096228     -0.846487      1.100380
  H      -3.779570     -2.981235      4.669340
  H      -6.075135     -7.434453     13.279637
  H      -5.423195     -5.826150     12.868622
  H      -7.161335     -6.038240     13.086838
  H      -6.679848     -4.899455     10.921397
  H      -6.708306     -7.876743      8.690823
  H      -7.087865     -7.625149      6.237231
  H      -8.287506     -3.030920      4.730245
  H      -6.560006     -3.263461      4.677715
  H      -9.179964     -0.801496      4.162111
  H      -8.641148      1.557177      3.543666
  H      -5.071957     -1.274678      5.307763
  H      -7.005455     -3.595687      9.108664
  N      -4.323409      4.205904      1.965744
  H      -4.865039      5.042605      2.190158
  H      -4.439920      3.951217      0.979465
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.945977307056
  N      -2.995862      4.240739      4.771714
  Mo     -3.772735      2.890527      3.328439
  N      -4.385356      1.273730      4.644716
  C      -3.377306      0.480187      5.336557
  C      -2.200963      1.336271      5.754805
  N      -1.613346      2.001805      4.584613
  C      -0.837630      3.207274      4.898939
  C      -1.744802      4.283840      5.483931
  C      -0.864115      1.091001      3.709210
  C      -1.039038      1.544867      2.257180
  N      -2.432260      1.823842      2.043743
  H      -1.242946      5.264974      5.394611
  H      -1.901035      4.110851      6.565941
  H      -0.403477      3.566937      3.954532
  H      -0.001392      2.984787      5.589382
  H      -0.648733      0.776510      1.569615
  H      -0.458234      2.461415      2.068774
  H      -1.288559      0.086133      3.815953
  H       0.201359      1.042385      4.000864
  H      -3.797396      0.026817      6.251843
  H      -3.028132     -0.368291      4.713408
  H      -2.552322      2.108618      6.450645
  H      -1.452595      0.717145      6.290984
  C     -10.289328      0.505975      7.193047
  C      -9.201888      1.438923      7.746821
  O      -9.422487      2.619534      8.052402
  N      -7.976583      0.836980      7.866432
  C      -6.781237      1.377038      8.328915
  C      -5.699283      0.509945      8.393249
  C      -4.466029      0.970580      8.815287
  C      -4.314602      2.301612      9.183734
  F      -3.079398      2.730569      9.534475
  C      -5.376874      3.197771      9.129484
  C      -5.218500      4.659161      9.456366
  O      -4.503665      5.074298     10.393439
  C      -5.930425      5.660032      8.521339
  C      -5.689340      5.287479      7.084566
  C      -6.743200      4.900276      6.240321
  C      -6.446204      4.292106      5.025145
  N      -5.184769      4.082849      4.638205
  C      -4.151434      4.568036      5.388653
  C      -4.375285      5.174813      6.635983
  C      -6.612117      2.713684      8.693968
  C      -2.480105     -2.365075      8.612604
  C      -2.822006     -2.695799      7.181098
  O      -3.962104     -2.777523      6.797882
  N      -1.731650     -2.876789      6.366062
  C      -1.689133     -3.152447      4.999929
  C      -0.447202     -3.389733      4.424115
  C      -0.337192     -3.651952      3.069991
  C      -1.468007     -3.655174      2.289433
  F      -1.313589     -3.946352      0.973697
  C      -2.718484     -3.407883      2.823673
  C      -3.995932     -3.330731      2.058200
  O      -5.041554     -3.605520      2.620214
  C      -3.992737     -2.729231      0.650968
  C      -4.177030     -1.242651      0.875086
  C      -5.470442     -0.693910      0.948592
  C      -5.615279      0.603286      1.425422
  N      -4.572110      1.352928      1.789152
  C      -3.298939      0.877695      1.614091
  C      -3.072050     -0.442563      1.168767
  C      -2.812297     -3.177019      4.199622
  C      -6.193744     -6.476986     12.765849
  C      -6.345713     -6.847279     11.298799
  O      -6.251746     -8.010474     10.884016
  N      -6.599194     -5.760450     10.479230
  C      -6.797471     -5.724968      9.087640
  C      -6.806837     -6.876637      8.281527
  C      -7.012336     -6.748110      6.916039
  C      -7.200884     -5.488670      6.346442
  F      -7.420063     -5.438928      5.013680
  C      -7.196510     -4.317748      7.112369
  C      -7.371686     -2.912374      6.603018
  O      -7.540438     -1.977229      7.422673
  C      -7.336808     -2.644492      5.112787
  C      -7.140829     -1.196979      4.782954
  C      -8.176393     -0.392510      4.273938
  C      -7.857175      0.924032      3.936454
  N      -6.637069      1.466585      4.053363
  C      -5.623298      0.702547      4.565431
  C      -5.873015     -0.644046      4.941301
  C      -6.996494     -4.472134      8.489197
  H     -10.078055      0.260877      6.140961
  H     -10.339300     -0.432680      7.752841
  H     -11.250441      1.011589      7.258085
  H      -7.918311     -0.142880      7.561303
  H      -5.832652     -0.525980      8.091700
  H      -3.613145      0.306530      8.842241
  H      -5.524800      6.646179      8.777365
  H      -7.008291      5.670871      8.738414
  H      -7.780289      4.991878      6.561198
  H      -7.224799      3.895203      4.377656
  H      -3.539779      5.474937      7.267639
  H      -7.458158      3.373211      8.634320
  H      -1.955687     -1.386550      8.664327
  H      -3.413857     -2.303171      9.198353
  H      -1.820240     -3.136023      9.047901
  H      -0.831604     -2.821554      6.817205
  H       0.443036     -3.374534      5.038389
  H       0.620991     -3.859840      2.612361
  H      -3.058427     -2.929325      0.121835
  H      -4.838379     -3.160092      0.096699
  H      -6.349496     -1.288566      0.699895
  H      -6.599668      1.051722      1.560554
  H      -2.062461     -0.852861      1.122873
  H      -3.788064     -2.994542      4.626615
  H      -6.001922     -7.388071     13.341496
  H      -5.357254     -5.776434     12.910659
  H      -7.107739     -5.994618     13.146223
  H      -6.647211     -4.854940     10.941723
  H      -6.654675     -7.854144      8.735436
  H      -7.033784     -7.625830      6.273580
  H      -8.278402     -3.033054      4.691838
  H      -6.545457     -3.248875      4.646043
  H      -9.185118     -0.785558      4.129804
  H      -8.633586      1.583550      3.526692
  H      -5.067197     -1.284505      5.310694
  H      -6.997069     -3.562761      9.090250
  N      -4.297348      4.198574      1.975479
  H      -4.837927      5.033723      2.192112
  H      -4.406715      3.950509      1.003301
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.945654410071
  N      -2.974771      4.238963      4.763074
  Mo     -3.757913      2.889162      3.318813
  N      -4.401351      1.279472      4.642012
  C      -3.400853      0.482487      5.343926
  C      -2.216850      1.328339      5.764411
  N      -1.612343      1.981316      4.597933
  C      -0.825703      3.179181      4.914060
  C      -1.727374      4.269406      5.486596
  C      -0.866626      1.056644      3.731794
  C      -1.024802      1.505072      2.275809
  N      -2.418263      1.801002      2.048201
  H      -1.213005      5.243081      5.395636
  H      -1.892727      4.106901      6.568831
  H      -0.379219      3.531316      3.972068
  H       0.003890      2.950918      5.613319
  H      -0.635721      0.727579      1.595272
  H      -0.427839      2.415826      2.087306
  H      -1.306325      0.055066      3.842099
  H       0.199952      0.995236      4.033706
  H      -3.828260      0.041934      6.263171
  H      -3.056670     -0.376461      4.727609
  H      -2.564661      2.108546      6.456009
  H      -1.475171      0.704710      6.309381
  C     -10.369320      0.745372      7.122989
  C      -9.290091      1.613718      7.678454
  O      -9.489264      2.759854      7.980748
  N      -8.083563      0.988323      7.799127
  C      -6.874212      1.488700      8.275128
  C      -5.779013      0.600579      8.362235
  C      -4.536070      1.035219      8.809564
  C      -4.380086      2.346008      9.177230
  F      -3.135806      2.747786      9.547481
  C      -5.440543      3.259232      9.100623
  C      -5.252500      4.701622      9.430700
  O      -4.547745      5.081243     10.382853
  C      -5.934263      5.707359      8.493461
  C      -5.682988      5.323066      7.055687
  C      -6.731704      4.943373      6.197828
  C      -6.425186      4.328005      4.987723
  N      -5.165690      4.105081      4.612847
  C      -4.134347      4.582016      5.369843
  C      -4.363056      5.192205      6.618128
  C      -6.690333      2.808244      8.642137
  C      -2.405180     -2.324191      8.656515
  C      -2.792060     -2.665511      7.227083
  O      -3.975839     -2.739810      6.833915
  N      -1.698690     -2.870795      6.409287
  C      -1.674856     -3.165407      5.040263
  C      -0.410180     -3.411878      4.454818
  C      -0.308763     -3.683885      3.101737
  C      -1.461967     -3.689815      2.320947
  F      -1.312761     -3.994564      1.004267
  C      -2.737662     -3.435529      2.858106
  C      -4.031250     -3.362682      2.078250
  O      -5.084265     -3.619991      2.634703
  C      -4.024744     -2.765527      0.668607
  C      -4.194326     -1.268650      0.874464
  C      -5.489610     -0.704266      0.937933
  C      -5.621544      0.605838      1.407511
  N      -4.562470      1.351313      1.776817
  C      -3.293437      0.862145      1.612510
  C      -3.078404     -0.471358      1.170817
  C      -2.823672     -3.193496      4.236012
  C      -6.045126     -6.683592     12.697996
  C      -6.224975     -7.012338     11.234432
  O      -6.122036     -8.160141     10.796397
  N      -6.513387     -5.902661     10.450881
  C      -6.747201     -5.825874      9.070456
  C      -6.769297     -6.955151      8.234098
  C      -7.014411     -6.786707      6.878393
  C      -7.223392     -5.512578      6.351012
  F      -7.479809     -5.423039      5.026957
  C      -7.200948     -4.362576      7.150748
  C      -7.382014     -2.950047      6.683190
  O      -7.529513     -2.063163      7.501505
  C      -7.360986     -2.646297      5.202516
  C      -7.155590     -1.195024      4.851577
  C      -8.191589     -0.387962      4.353087
  C      -7.871060      0.924645      3.993342
  N      -6.654802      1.463915      4.080523
  C      -5.638947      0.705176      4.581223
  C      -5.887397     -0.642942      4.977924
  C      -6.968050     -4.556472      8.516098
  H     -10.155001      0.517936      6.069276
  H     -10.407620     -0.201961      7.677485
  H     -11.333717      1.262450      7.180949
  H      -8.030424      0.031267      7.501594
  H      -5.913490     -0.432908      8.057360
  H      -3.677071      0.355736      8.853111
  H      -5.521616      6.693927      8.743017
  H      -7.014371      5.728522      8.707050
  H      -7.772010      5.046112      6.505195
  H      -7.195262      3.932443      4.325229
  H      -3.529035      5.484101      7.258464
  H      -7.544557      3.487956      8.567579
  H      -1.860539     -1.385027      8.708126
  H      -3.313953     -2.232826      9.232726
  H      -1.756284     -3.088726      9.101808
  H      -0.777208     -2.818223      6.861076
  H       0.498272     -3.392551      5.069646
  H       0.661880     -3.897489      2.637684
  H      -3.087231     -2.986538      0.142562
  H      -4.879503     -3.187415      0.118480
  H      -6.377231     -1.294388      0.689580
  H      -6.604042      1.064646      1.537322
  H      -2.069759     -0.892688      1.135973
  H      -3.811586     -3.008925      4.668257
  H      -5.824639     -7.613051     13.244969
  H      -5.219633     -5.969753     12.839459
  H      -6.957530     -6.223896     13.107591
  H      -6.561497     -5.010037     10.932938
  H      -6.598432     -7.946483      8.655054
  H      -7.048607     -7.648389      6.214892
  H      -8.310003     -3.025227      4.792044
  H      -6.583931     -3.258168      4.726393
  H      -9.203743     -0.772346      4.229683
  H      -8.650721      1.582553      3.588887
  H      -5.080662     -1.280640      5.342894
  H      -6.957735     -3.662654      9.140854
  N      -4.261595      4.210121      1.952449
  H      -4.793288      5.052939      2.165400
  H      -4.374389      3.970479      0.967798
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.944545952753
  N      -2.982133      4.238651      4.765427
  Mo     -3.766469      2.892063      3.323824
  N      -4.394108      1.278279      4.635226
  C      -3.387012      0.484003      5.326685
  C      -2.203459      1.333577      5.744567
  N      -1.611196      1.992297      4.581357
  C      -0.826028      3.189603      4.896481
  C      -1.727151      4.272988      5.479369
  C      -0.868474      1.076903      3.707838
  C      -1.039853      1.530425      2.254940
  N      -2.433100      1.817086      2.037506
  H      -1.216770      5.251073      5.387976
  H      -1.884678      4.103858      6.561078
  H      -0.388447      3.546860      3.953163
  H       0.008643      2.959843      5.586870
  H      -0.652086      0.758084      1.569901
  H      -0.451931      2.444713      2.066847
  H      -1.301480      0.071878      3.815585
  H       0.198843      1.021177      4.002974
  H      -3.808795      0.035716      6.240883
  H      -3.041319     -0.367920      4.704983
  H      -2.550886      2.107493      6.440748
  H      -1.456968      0.710783      6.280129
  C     -10.353383      0.588385      7.141202
  C      -9.282967      1.517484      7.699232
  O      -9.528503      2.715086      8.020865
  N      -8.044219      0.899291      7.810600
  C      -6.830994      1.431286      8.285250
  C      -5.726816      0.541494      8.356948
  C      -4.492478      0.998228      8.795193
  C      -4.347175      2.334267      9.168038
  F      -3.108465      2.758126      9.527414
  C      -5.411761      3.245424      9.109070
  C      -5.217648      4.684585      9.446928
  O      -4.525145      5.009830     10.350215
  C      -5.911187      5.696067      8.530959
  C      -5.675600      5.310741      7.089601
  C      -6.730830      4.925841      6.243241
  C      -6.430953      4.311386      5.028240
  N      -5.173529      4.095704      4.636548
  C      -4.138058      4.574879      5.384064
  C      -4.360743      5.183227      6.635727
  C      -6.657625      2.778817      8.663200
  C      -2.390015     -2.332232      8.667046
  C      -2.778097     -2.666599      7.239594
  O      -3.977341     -2.753399      6.868222
  N      -1.685959     -2.854561      6.399398
  C      -1.658231     -3.141725      5.016833
  C      -0.392123     -3.385285      4.422507
  C      -0.291331     -3.653029      3.061749
  C      -1.447475     -3.657420      2.277384
  F      -1.302125     -3.957075      0.958416
  C      -2.723321     -3.405755      2.821463
  C      -4.018630     -3.331426      2.049673
  O      -5.089061     -3.610630      2.608787
  C      -4.013877     -2.725145      0.643083
  C      -4.185985     -1.237269      0.865803
  C      -5.474840     -0.682721      0.938925
  C      -5.614127      0.613300      1.415725
  N      -4.568789      1.357070      1.781093
  C      -3.301630      0.877894      1.606335
  C      -3.082469     -0.443700      1.159549
  C      -2.807728     -3.169807      4.206471
  C      -6.156937     -6.570603     12.765756
  C      -6.317711     -6.927477     11.295403
  O      -6.222357     -8.070709     10.874076
  N      -6.580968     -5.840241     10.492307
  C      -6.796550     -5.782997      9.097727
  C      -6.820732     -6.920460      8.257048
  C      -7.049920     -6.766239      6.881682
  C      -7.241214     -5.505445      6.340272
  F      -7.484674     -5.425880      4.997233
  C      -7.216796     -4.350199      7.146069
  C      -7.383961     -2.951352      6.664701
  O      -7.538378     -2.072085      7.498532
  C      -7.347237     -2.662072      5.177185
  C      -7.136350     -1.210644      4.823645
  C      -8.165409     -0.413199      4.311924
  C      -7.849865      0.898663      3.962005
  N      -6.641608      1.446939      4.065003
  C      -5.628202      0.696173      4.572811
  C      -5.874992     -0.653288      4.965026
  C      -6.998317     -4.527882      8.531433
  H     -10.129460      0.350526      6.087762
  H     -10.384689     -0.376915      7.679165
  H     -11.336879      1.099888      7.218238
  H      -7.973225     -0.091735      7.498566
  H      -5.853124     -0.504852      8.049647
  H      -3.627448      0.326672      8.831696
  H      -5.497681      6.685311      8.774488
  H      -6.990126      5.713377      8.761073
  H      -7.768946      5.023002      6.561804
  H      -7.209204      3.911113      4.379216
  H      -3.522085      5.478795      7.267642
  H      -7.507901      3.457869      8.604256
  H      -1.857535     -1.356552      8.711525
  H      -3.314001     -2.265220      9.275825
  H      -1.720343     -3.106427      9.088528
  H      -0.768702     -2.799031      6.840202
  H       0.514264     -3.368899      5.036465
  H       0.674341     -3.865462      2.596512
  H      -3.079960     -2.935865      0.112698
  H      -4.863239     -3.143234      0.090346
  H      -6.352936     -1.272260      0.691238
  H      -6.594518      1.064157      1.552913
  H      -2.077019     -0.858094      1.114761
  H      -3.786990     -2.987970      4.638096
  H      -5.956385     -7.485185     13.332536
  H      -5.322624     -5.863109     12.912116
  H      -7.073660     -6.095660     13.154091
  H      -6.626347     -4.941308     10.967050
  H      -6.664811     -7.905005      8.687907
  H      -7.084637     -7.635500      6.217983
  H      -8.296146     -3.041430      4.754305
  H      -6.561336     -3.281667      4.716546
  H      -9.174865     -0.804970      4.171340
  H      -8.629005      1.550977      3.550295
  H      -5.073169     -1.282455      5.336245
  H      -6.987296     -3.626541      9.155747
  N      -4.283840      4.204408      1.973727
  H      -4.821723      5.046088      2.195914
  H      -4.396837      3.944790      0.980343
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.946448609885
  N      -2.999439      4.239879      4.753204
  Mo     -3.779752      2.884941      3.315207
  N      -4.385928      1.274217      4.637741
  C      -3.377980      0.485136      5.331230
  C      -2.199190      1.343064      5.739600
  N      -1.618925      2.002321      4.566704
  C      -0.842287      3.208970      4.874725
  C      -1.746308      4.286804      5.460094
  C      -0.874605      1.088715      3.692835
  C      -1.052328      1.536351      2.242375
  N      -2.442445      1.816581      2.029800
  H      -1.245418      5.267713      5.365297
  H      -1.896891      4.118513      6.542787
  H      -0.412128      3.565206      3.927981
  H      -0.003875      2.988280      5.562414
  H      -0.665330      0.766104      1.556933
  H      -0.471845      2.448693      2.050474
  H      -1.299731      0.085951      3.802690
  H       0.188465      1.039736      3.982834
  H      -3.795147      0.042451      6.250998
  H      -3.033799     -0.369097      4.713237
  H      -2.545626      2.118696      6.433553
  H      -1.448307      0.727646      6.273968
  C     -10.292257      0.489730      7.218666
  C      -9.201754      1.406113      7.747136
  O      -9.412938      2.594929      8.048693
  N      -7.984078      0.804294      7.856750
  C      -6.775373      1.355138      8.320727
  C      -5.676369      0.487832      8.393424
  C      -4.431682      0.964468      8.824640
  C      -4.283169      2.312517      9.194844
  F      -3.035672      2.758068      9.555044
  C      -5.360176      3.207395      9.129764
  C      -5.203314      4.671781      9.453901
  O      -4.504245      5.079529     10.385881
  C      -5.920386      5.665133      8.515982
  C      -5.685456      5.289057      7.077137
  C      -6.741530      4.900881      6.236447
  C      -6.447821      4.291230      5.019133
  N      -5.187866      4.082338      4.626451
  C      -4.152920      4.568398      5.373296
  C      -4.374137      5.175926      6.621891
  C      -6.606564      2.711030      8.685243
  C      -2.437966     -2.367749      8.689022
  C      -2.796655     -2.686803      7.254968
  O      -3.927547     -2.756063      6.879957
  N      -1.727171     -2.861998      6.426849
  C      -1.684400     -3.136588      5.039310
  C      -0.428476     -3.366983      4.462695
  C      -0.308755     -3.626755      3.089877
  C      -1.446918     -3.636577      2.290056
  F      -1.285964     -3.927137      0.962667
  C      -2.712817     -3.398268      2.823815
  C      -3.998162     -3.332912      2.047103
  O      -5.055595     -3.620179      2.602513
  C      -3.994703     -2.723587      0.641412
  C      -4.176580     -1.240046      0.864426
  C      -5.463884     -0.695262      0.939170
  C      -5.609374      0.594710      1.414117
  N      -4.574971      1.343012      1.777532
  C      -3.307288      0.872240      1.600143
  C      -3.081095     -0.441876      1.155151
  C      -2.813511     -3.168372      4.215552
  C      -6.212963     -6.482043     12.736478
  C      -6.363438     -6.849939     11.269298
  O      -6.275123     -8.001770     10.847656
  N      -6.609646     -5.769853     10.463448
  C      -6.810363     -5.730153      9.072246
  C      -6.828342     -6.877594      8.248431
  C      -7.041283     -6.742639      6.877825
  C      -7.227738     -5.487153      6.322475
  F      -7.459113     -5.428224      4.981750
  C      -7.214629     -4.322039      7.109217
  C      -7.392049     -2.920089      6.614519
  O      -7.563981     -2.008440      7.453412
  C      -7.350903     -2.639292      5.121307
  C      -7.145977     -1.190043      4.794705
  C      -8.173810     -0.384606      4.297998
  C      -7.851864      0.928604      3.961616
  N      -6.635398      1.468360      4.067387
  C      -5.625725      0.704375      4.568064
  C      -5.880172     -0.641051      4.945417
  C      -7.005961     -4.481607      8.491208
  H     -10.110501      0.258313      6.166928
  H     -10.341453     -0.446570      7.783937
  H     -11.222437      0.999837      7.297204
  H      -7.934017     -0.183437      7.559608
  H      -5.807904     -0.556968      8.092075
  H      -3.571519      0.306641      8.857004
  H      -5.517736      6.656005      8.767610
  H      -6.996376      5.674536      8.737277
  H      -7.777180      4.992116      6.560704
  H      -7.229355      3.893010      4.375836
  H      -3.536199      5.476680      7.250658
  H      -7.459768      3.369159      8.620290
  H      -1.911427     -1.406715      8.742483
  H      -3.353539     -2.302331      9.277335
  H      -1.785876     -3.125145      9.125847
  H      -0.828984     -2.806419      6.877051
  H       0.464695     -3.346651      5.090823
  H       0.657611     -3.828091      2.634985
  H      -3.061619     -2.925163      0.109860
  H      -4.842117     -3.148614      0.090668
  H      -6.338489     -1.288963      0.691812
  H      -6.589996      1.038260      1.548757
  H      -2.074669     -0.848554      1.108071
  H      -3.794095     -2.996025      4.638843
  H      -6.027365     -7.390484     13.303852
  H      -5.376846     -5.786127     12.887871
  H      -7.123821     -5.995254     13.117090
  H      -6.654736     -4.866705     10.933405
  H      -6.678950     -7.854470      8.690750
  H      -7.070125     -7.618335      6.224501
  H      -8.299182     -3.018110      4.692035
  H      -6.558561     -3.252963      4.651937
  H      -9.182360     -0.773984      4.158921
  H      -8.626980      1.589041      3.560529
  H      -5.082010     -1.279282      5.308573
  H      -7.001335     -3.574129      9.103225
  N      -4.312180      4.190578      1.965240
  H      -4.852107      5.028387      2.187548
  H      -4.432002      3.939353      0.979925
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.946074158489
  N      -2.988650      4.244353      4.760686
  Mo     -3.773014      2.891383      3.322398
  N      -4.386599      1.278674      4.637124
  C      -3.378213      0.488624      5.331842
  C      -2.199761      1.342520      5.747234
  N      -1.613692      2.003152      4.577158
  C      -0.833086      3.207307      4.889084
  C      -1.737087      4.287646      5.472449
  C      -0.869492      1.086594      3.701106
  C      -1.042564      1.536560      2.249643
  N      -2.434866      1.821184      2.035908
  H      -1.233836      5.266524      5.378864
  H      -1.891186      4.121326      6.555394
  H      -0.399836      3.565189      3.944394
  H       0.004292      2.983287      5.579018
  H      -0.654586      0.764357      1.564019
  H      -0.456698      2.448712      2.058967
  H      -1.300565      0.083945      3.810489
  H       0.195244      1.031583      3.992633
  H      -3.796443      0.043287      6.249602
  H      -3.031094     -0.364194      4.712358
  H      -2.547616      2.116431      6.443716
  H      -1.450035      0.724226      6.282621
  C     -10.301364      0.526485      7.184804
  C      -9.216227      1.445447      7.736075
  O      -9.431910      2.612696      8.035030
  N      -7.987940      0.840055      7.852673
  C      -6.784450      1.377453      8.316839
  C      -5.691477      0.504349      8.392404
  C      -4.457751      0.962782      8.819195
  C      -4.310634      2.295680      9.182936
  F      -3.076313      2.720230      9.534666
  C      -5.374905      3.197664      9.120483
  C      -5.210667      4.653687      9.448588
  O      -4.501869      5.047137     10.384110
  C      -5.921383      5.661423      8.523480
  C      -5.683633      5.291174      7.082899
  C      -6.739554      4.906596      6.236337
  C      -6.441959      4.300248      5.019950
  N      -5.181245      4.092043      4.631120
  C      -4.144925      4.575471      5.380540
  C      -4.367442      5.177244      6.632295
  C      -6.614936      2.717713      8.678276
  C      -2.447926     -2.374000      8.628038
  C      -2.814166     -2.712014      7.197190
  O      -3.996002     -2.825055      6.823104
  N      -1.712506     -2.872316      6.369490
  C      -1.681838     -3.149608      5.002050
  C      -0.432100     -3.372123      4.422871
  C      -0.327834     -3.628170      3.072922
  C      -1.470359     -3.639726      2.293112
  F      -1.318360     -3.923930      0.979776
  C      -2.729186     -3.407105      2.824382
  C      -4.011337     -3.337706      2.051838
  O      -5.039522     -3.609425      2.604202
  C      -4.020772     -2.729712      0.652195
  C      -4.193136     -1.240370      0.874038
  C      -5.485824     -0.686862      0.954402
  C      -5.624540      0.611449      1.428916
  N      -4.575056      1.356691      1.787285
  C      -3.305267      0.878935      1.606612
  C      -3.084103     -0.443917      1.160080
  C      -2.818941     -3.183516      4.200554
  C      -6.248169     -6.498671     12.725771
  C      -6.369801     -6.857519     11.273602
  O      -6.243561     -8.011149     10.861322
  N      -6.631293     -5.769530     10.466826
  C      -6.804219     -5.726659      9.092630
  C      -6.774683     -6.872453      8.295733
  C      -6.957231     -6.740025      6.945715
  C      -7.160477     -5.483255      6.383338
  F      -7.354945     -5.428206      5.066025
  C      -7.192381     -4.317803      7.142022
  C      -7.383718     -2.918075      6.634270
  O      -7.583284     -2.000789      7.439205
  C      -7.321487     -2.646118      5.153220
  C      -7.127843     -1.200430      4.805518
  C      -8.165090     -0.404328      4.287737
  C      -7.852191      0.911016      3.940609
  N      -6.637229      1.459005      4.053099
  C      -5.621492      0.703541      4.567414
  C      -5.865113     -0.641928      4.957504
  C      -7.015829     -4.475781      8.503381
  H     -10.084546      0.289645      6.123239
  H     -10.331648     -0.426313      7.740097
  H     -11.287124      1.028306      7.253923
  H      -7.926161     -0.137944      7.557596
  H      -5.821647     -0.533477      8.093210
  H      -3.597425      0.297260      8.855448
  H      -5.516161      6.651372      8.778070
  H      -7.002289      5.669680      8.748195
  H      -7.778224      4.996724      6.556711
  H      -7.219372      3.900384      4.368735
  H      -3.529607      5.473390      7.266184
  H      -7.469475      3.383649      8.612638
  H      -1.935375     -1.396770      8.684637
  H      -3.372692     -2.324076      9.216449
  H      -1.765861     -3.135327      9.056118
  H      -0.794588     -2.799769      6.814665
  H       0.467065     -3.349670      5.035306
  H       0.635724     -3.823984      2.614058
  H      -3.093935     -2.943251      0.114904
  H      -4.875244     -3.148742      0.108557
  H      -6.366871     -1.279796      0.712876
  H      -6.608440      1.062936      1.571812
  H      -2.075399     -0.859088      1.110491
  H      -3.799259     -3.014785      4.628258
  H      -6.047339     -7.412235     13.292064
  H      -5.437101     -5.780568     12.883547
  H      -7.166156     -6.039571     13.091780
  H      -6.706828     -4.869707     10.925070
  H      -6.610028     -7.849651      8.744951
  H      -6.949018     -7.614651      6.310825
  H      -8.250380     -3.042056      4.725075
  H      -6.529435     -3.247412      4.706496
  H      -9.171823     -0.802080      4.142771
  H      -8.631530      1.564092      3.524672
  H      -5.058823     -1.274928      5.334992
  H      -7.045401     -3.570060      9.098029
  N      -4.301694      4.209079      1.967752
  H      -4.835615      5.045550      2.186546
  H      -4.419848      3.975924      1.009438
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.945676999550
  N      -2.971335      4.235975      4.782098
  Mo     -3.749207      2.890609      3.331302
  N      -4.394715      1.276680      4.644274
  C      -3.397246      0.476167      5.347998
  C      -2.212356      1.321136      5.771799
  N      -1.606595      1.979099      4.608478
  C      -0.818991      3.173875      4.929408
  C      -1.721609      4.263105      5.505787
  C      -0.857604      1.058070      3.741140
  C      -1.011200      1.517080      2.285411
  N      -2.405490      1.813154      2.055512
  H      -1.205863      5.238543      5.418140
  H      -1.888025      4.094546      6.587265
  H      -0.370654      3.529368      3.988877
  H       0.009079      2.940202      5.627727
  H      -0.619518      0.742464      1.602251
  H      -0.414569      2.431881      2.102838
  H      -1.298186      0.054046      3.844496
  H       0.210120      0.995178      4.046699
  H      -3.830351      0.034048      6.263918
  H      -3.052688     -0.381707      4.731739
  H      -2.562478      2.098197      6.465214
  H      -1.471107      0.694874      6.314445
  C     -10.347109      0.690375      7.116577
  C      -9.274029      1.588477      7.684042
  O      -9.488501      2.747911      7.990870
  N      -8.055521      0.961982      7.807488
  C      -6.855134      1.469660      8.287290
  C      -5.760949      0.581583      8.374996
  C      -4.532923      1.022040      8.821625
  C      -4.388428      2.335966      9.186555
  F      -3.157848      2.741934      9.556641
  C      -5.445465      3.247512      9.110860
  C      -5.259916      4.688172      9.446537
  O      -4.560910      5.048437     10.387901
  C      -5.941785      5.695008      8.513107
  C      -5.684640      5.312364      7.076304
  C      -6.730998      4.932660      6.215937
  C      -6.419927      4.321245      5.004457
  N      -5.160552      4.103464      4.628374
  C      -4.131479      4.576639      5.388926
  C      -4.363647      5.183376      6.639958
  C      -6.681867      2.793380      8.654443
  C      -2.503832     -2.354644      8.605987
  C      -2.862634     -2.696841      7.170965
  O      -4.044257     -2.792460      6.753195
  N      -1.759260     -2.884240      6.367770
  C      -1.712763     -3.170569      4.999025
  C      -0.444699     -3.410350      4.423906
  C      -0.324139     -3.669082      3.067106
  C      -1.462065     -3.669746      2.274614
  F      -1.295572     -3.959898      0.954370
  C      -2.741756     -3.425379      2.805608
  C      -4.024882     -3.353458      2.017993
  O      -5.109150     -3.657145      2.567125
  C      -4.000656     -2.736731      0.613622
  C      -4.172751     -1.247079      0.846734
  C      -5.469307     -0.683956      0.910155
  C      -5.606532      0.621468      1.397382
  N      -4.548819      1.363769      1.779228
  C      -3.276871      0.876078      1.612481
  C      -3.058748     -0.453131      1.159089
  C      -2.846565     -3.196437      4.186279
  C      -6.026644     -6.606588     12.797488
  C      -6.205378     -6.955966     11.318041
  O      -6.098954     -8.108563     10.888341
  N      -6.499173     -5.857330     10.510929
  C      -6.737143     -5.795508      9.109631
  C      -6.756002     -6.931659      8.267489
  C      -7.005492     -6.775272      6.891023
  C      -7.221453     -5.506878      6.348753
  F      -7.482821     -5.428435      5.005725
  C      -7.203878     -4.350975      7.153547
  C      -7.394100     -2.946769      6.671863
  O      -7.562181     -2.058130      7.494969
  C      -7.355924     -2.655299      5.183684
  C      -7.149720     -1.203084      4.831120
  C      -8.182951     -0.397839      4.317724
  C      -7.861853      0.916721      3.965206
  N      -6.646612      1.458725      4.068089
  C      -5.632480      0.700904      4.578301
  C      -5.882773     -0.648204      4.973762
  C      -6.966463     -4.532123      8.539314
  H     -10.116629      0.458714      6.060500
  H     -10.383959     -0.268187      7.655891
  H     -11.341289      1.203965      7.180515
  H      -7.995087     -0.008837      7.505918
  H      -5.886531     -0.455321      8.071696
  H      -3.670520      0.345667      8.869884
  H      -5.532284      6.683062      8.764070
  H      -7.023010      5.712452      8.724986
  H      -7.771940      5.032843      6.522075
  H      -7.188916      3.925973      4.341738
  H      -3.531494      5.474217      7.282316
  H      -7.532924      3.473140      8.579253
  H      -1.977457     -1.400272      8.659229
  H      -3.421353     -2.283701      9.182225
  H      -1.850267     -3.115779      9.050399
  H      -0.850378     -2.823876      6.829575
  H       0.450754     -3.394939      5.048182
  H       0.647461     -3.877151      2.610473
  H      -3.059630     -2.944538      0.090866
  H      -4.846772     -3.150967      0.045418
  H      -6.353550     -1.271363      0.648478
  H      -6.590657      1.080063      1.528188
  H      -2.049386     -0.872262      1.121201
  H      -3.835217     -3.016059      4.610841
  H      -5.803953     -7.527341     13.363446
  H      -5.194299     -5.889356     12.935259
  H      -6.950743     -6.142580     13.203426
  H      -6.551058     -4.959709     10.990909
  H      -6.579908     -7.919153      8.698651
  H      -7.037073     -7.642952      6.224462
  H      -8.300250     -3.037955      4.757664
  H      -6.565067     -3.269657      4.724897
  H      -9.193969     -0.785420      4.177178
  H      -8.639444      1.574588      3.553398
  H      -5.077684     -1.283533      5.349901
  H      -6.958951     -3.632562      9.166091
  N      -4.247311      4.209831      1.973985
  H      -4.779227      5.055367      2.191955
  H      -4.358909      3.949606      0.971114
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.947285500169
  N      -2.986286      4.239491      4.751786
  Mo     -3.772071      2.885929      3.315421
  N      -4.389480      1.276971      4.636027
  C      -3.382591      0.486951      5.330468
  C      -2.199589      1.341180      5.738012
  N      -1.615524      1.996472      4.568397
  C      -0.832322      3.197959      4.876844
  C      -1.731736      4.280174      5.460348
  C      -0.874336      1.078503      3.697310
  C      -1.047392      1.526488      2.246544
  N      -2.438085      1.813007      2.030558
  H      -1.225705      5.258806      5.365290
  H      -1.883595      4.113345      6.542734
  H      -0.399397      3.552058      3.930800
  H       0.004444      2.972844      5.565578
  H      -0.661356      0.753896      1.562017
  H      -0.461632      2.438386      2.055921
  H      -1.305177      0.075825      3.806700
  H       0.189831      1.023892      3.990787
  H      -3.801392      0.049008      6.250874
  H      -3.041763     -0.370606      4.714763
  H      -2.543788      2.118267      6.431718
  H      -1.450124      0.723203      6.272734
  C     -10.320662      0.566885      7.179707
  C      -9.243807      1.479163      7.714194
  O      -9.464484      2.675203      8.027187
  N      -8.028863      0.865811      7.819376
  C      -6.815992      1.404033      8.291914
  C      -5.712464      0.524118      8.371936
  C      -4.465497      0.992326      8.818728
  C      -4.313126      2.333109      9.191747
  F      -3.060639      2.772096      9.565962
  C      -5.386705      3.235551      9.119692
  C      -5.206898      4.686039      9.452625
  O      -4.513566      5.047030     10.364540
  C      -5.907549      5.684616      8.522203
  C      -5.672556      5.303633      7.080517
  C      -6.728316      4.919447      6.236416
  C      -6.432647      4.306865      5.019336
  N      -5.175866      4.092797      4.625960
  C      -4.139747      4.573371      5.372252
  C      -4.360500      5.180704      6.623710
  C      -6.639036      2.754822      8.663354
  C      -2.420322     -2.348045      8.686448
  C      -2.795407     -2.674567      7.261038
  O      -3.954694     -2.758095      6.902209
  N      -1.718496     -2.842583      6.421216
  C      -1.674943     -3.126108      5.030922
  C      -0.400018     -3.355409      4.450967
  C      -0.281531     -3.623264      3.082251
  C      -1.432656     -3.641858      2.280332
  F      -1.271319     -3.939682      0.956034
  C      -2.715728     -3.402991      2.812412
  C      -4.007721     -3.342362      2.030248
  O      -5.073536     -3.622765      2.582446
  C      -4.008273     -2.731857      0.628120
  C      -4.184933     -1.244753      0.856958
  C      -5.475313     -0.693802      0.934634
  C      -5.617245      0.600844      1.412136
  N      -4.575069      1.348010      1.778130
  C      -3.305607      0.872344      1.598946
  C      -3.084518     -0.447495      1.149445
  C      -2.815449     -3.167798      4.202416
  C      -6.198234     -6.545379     12.744821
  C      -6.342766     -6.911483     11.282965
  O      -6.241384     -8.057134     10.869847
  N      -6.598355     -5.831507     10.477349
  C      -6.800090     -5.780109      9.084898
  C      -6.810932     -6.919142      8.245928
  C      -7.026428     -6.767566      6.871596
  C      -7.219958     -5.508948      6.329818
  F      -7.452039     -5.432903      4.987162
  C      -7.212269     -4.352897      7.133647
  C      -7.394053     -2.953785      6.654758
  O      -7.568427     -2.078058      7.491624
  C      -7.350038     -2.654462      5.167001
  C      -7.143056     -1.200673      4.827133
  C      -8.170993     -0.399637      4.330558
  C      -7.853060      0.911842      3.985827
  N      -6.642468      1.456299      4.080475
  C      -5.628843      0.701237      4.577525
  C      -5.879930     -0.645635      4.966556
  C      -7.002720     -4.527966      8.518211
  H     -10.131590      0.341054      6.134160
  H     -10.368035     -0.381625      7.730085
  H     -11.250600      1.081197      7.266632
  H      -7.978771     -0.122806      7.518026
  H      -5.844696     -0.522970      8.066095
  H      -3.606244      0.326069      8.860680
  H      -5.497420      6.672187      8.769603
  H      -6.983023      5.702124      8.746606
  H      -7.764626      5.015359      6.557937
  H      -7.212571      3.909725      4.372571
  H      -3.521268      5.476571      7.253587
  H      -7.488168      3.423743      8.597027
  H      -1.900162     -1.366500      8.728619
  H      -3.342963     -2.290697      9.292137
  H      -1.746448     -3.112098      9.111722
  H      -0.809756     -2.775645      6.863015
  H       0.500774     -3.328046      5.080767
  H       0.692532     -3.824677      2.628751
  H      -3.076882     -2.941073      0.092070
  H      -4.860144     -3.150461      0.080332
  H      -6.353795     -1.285140      0.687193
  H      -6.598521      1.047214      1.549105
  H      -2.077151     -0.857508      1.100593
  H      -3.800401     -2.997713      4.622952
  H      -6.006439     -7.454242     13.313031
  H      -5.371958     -5.836591     12.896724
  H      -7.112706     -6.069003     13.120395
  H      -6.652449     -4.930821     10.947194
  H      -6.655400     -7.900800      8.675072
  H      -7.049516     -7.637861      6.211628
  H      -8.297590     -3.032069      4.735623
  H      -6.557399     -3.269253      4.703086
  H      -9.179783     -0.789184      4.195016
  H      -8.631918      1.567456      3.584857
  H      -5.081717     -1.276541      5.331327
  H      -7.002311     -3.625320      9.137392
  N      -4.301331      4.194017      1.967945
  H      -4.838534      5.036592      2.192529
  H      -4.422564      3.938504      0.973511
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.946684135680
  N      -2.991306      4.236692      4.771021
  Mo     -3.771011      2.883923      3.329345
  N      -4.384583      1.269447      4.640678
  C      -3.382660      0.476828      5.338286
  C      -2.204508      1.329744      5.758354
  N      -1.617048      1.991675      4.589960
  C      -0.837011      3.195002      4.904275
  C      -1.740894      4.277177      5.484889
  C      -0.873079      1.078017      3.714709
  C      -1.040537      1.533209      2.262690
  N      -2.430470      1.818446      2.044217
  H      -1.234922      5.254933      5.391375
  H      -1.897918      4.110945      6.567657
  H      -0.400185      3.551708      3.960612
  H      -0.002303      2.970595      5.596680
  H      -0.652241      0.763974      1.577597
  H      -0.454436      2.443493      2.076512
  H      -1.306864      0.076895      3.818629
  H       0.189741      1.020037      4.009299
  H      -3.806064      0.031172      6.254136
  H      -3.034859     -0.375727      4.720036
  H      -2.553952      2.102373      6.454241
  H      -1.457433      0.709993      6.295068
  C     -10.320734      0.455622      7.194150
  C      -9.230127      1.393192      7.739217
  O      -9.471907      2.577306      8.016671
  N      -7.975121      0.797489      7.873417
  C      -6.765439      1.347152      8.333314
  C      -5.665683      0.479172      8.414923
  C      -4.429726      0.946779      8.832550
  C      -4.290271      2.289474      9.186713
  F      -3.056846      2.723916      9.532568
  C      -5.363198      3.186358      9.121144
  C      -5.210364      4.641876      9.446382
  O      -4.505124      5.035228     10.370926
  C      -5.928456      5.648486      8.523878
  C      -5.688482      5.280409      7.085249
  C      -6.743309      4.895371      6.239840
  C      -6.445465      4.290023      5.022722
  N      -5.182504      4.084533      4.634018
  C      -4.148088      4.567398      5.386640
  C      -4.373668      5.167936      6.637133
  C      -6.601490      2.697181      8.684029
  C      -2.480942     -2.411649      8.651644
  C      -2.836510     -2.737117      7.210716
  O      -3.980475     -2.829051      6.832526
  N      -1.749729     -2.895954      6.384927
  C      -1.708367     -3.163856      5.002929
  C      -0.453385     -3.377682      4.422173
  C      -0.334651     -3.621455      3.056252
  C      -1.472257     -3.630701      2.266303
  F      -1.309960     -3.901873      0.942601
  C      -2.736547     -3.408813      2.801811
  C      -4.013473     -3.337070      2.027251
  O      -5.044671     -3.627171      2.571529
  C      -4.009599     -2.707808      0.631748
  C      -4.175176     -1.222904      0.866593
  C      -5.456695     -0.674910      0.941055
  C      -5.596536      0.610128      1.418940
  N      -4.560067      1.350333      1.785858
  C      -3.298442      0.878511      1.610129
  C      -3.077003     -0.432773      1.161895
  C      -2.838486     -3.195359      4.188647
  C      -6.181084     -6.415178     12.758225
  C      -6.330331     -6.785165     11.288203
  O      -6.210124     -7.938768     10.867374
  N      -6.606245     -5.706837     10.477096
  C      -6.799964     -5.676987      9.088655
  C      -6.779106     -6.831186      8.282714
  C      -6.979756     -6.711824      6.917096
  C      -7.190150     -5.461900      6.349735
  F      -7.402985     -5.419002      5.015065
  C      -7.213639     -4.289114      7.118672
  C      -7.409176     -2.892014      6.607663
  O      -7.615576     -1.962598      7.424297
  C      -7.340625     -2.633182      5.116048
  C      -7.140912     -1.188848      4.778922
  C      -8.166774     -0.385922      4.261842
  C      -7.842923      0.929104      3.926193
  N      -6.626344      1.469007      4.047429
  C      -5.621940      0.703268      4.560622
  C      -5.878122     -0.639880      4.941684
  C      -7.021130     -4.434062      8.494519
  H     -10.107157      0.199547      6.135116
  H     -10.334126     -0.480455      7.763803
  H     -11.317194      0.947047      7.253820
  H      -7.908311     -0.185509      7.592815
  H      -5.788806     -0.560027      8.126579
  H      -3.565190      0.288110      8.870157
  H      -5.528967      6.639775      8.782541
  H      -7.008644      5.650073      8.745459
  H      -7.781168      4.984195      6.561277
  H      -7.225485      3.890054      4.375096
  H      -3.537751      5.463861      7.272577
  H      -7.457250      3.357760      8.613364
  H      -1.959700     -1.462637      8.720147
  H      -3.394145     -2.350177      9.222167
  H      -1.828462     -3.157917      9.092933
  H      -0.842740     -2.828454      6.836925
  H       0.440582     -3.357477      5.040757
  H       0.634829     -3.808412      2.595655
  H      -3.080468     -2.915964      0.096661
  H      -4.865592     -3.115544      0.075408
  H      -6.331226     -1.265238      0.690529
  H      -6.573747      1.055882      1.556175
  H      -2.073840     -0.842881      1.114996
  H      -3.824468     -3.034463      4.616438
  H      -5.964932     -7.323059     13.330199
  H      -5.357333     -5.697993     12.901645
  H      -7.106998     -5.951612     13.146164
  H      -6.675782     -4.802783     10.942285
  H      -6.606815     -7.803211      8.737033
  H      -6.979376     -7.593139      6.274583
  H      -8.274451     -3.027400      4.677673
  H      -6.539195     -3.241196      4.669323
  H      -9.172247     -0.778348      4.107681
  H      -8.613701      1.589726      3.512453
  H      -5.080928     -1.279009      5.319493
  H      -7.043254     -3.521934      9.095908
  N      -4.290432      4.202421      1.974311
  H      -4.821970      5.037343      2.194801
  H      -4.411480      3.974541      1.015316
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.945377692968
  N      -2.985566      4.245633      4.764464
  Mo     -3.765021      2.889237      3.325885
  N      -4.391340      1.280496      4.642848
  C      -3.387258      0.488392      5.345351
  C      -2.205871      1.339832      5.760496
  N      -1.613159      1.997216      4.589509
  C      -0.829778      3.198164      4.901510
  C      -1.734053      4.285303      5.479782
  C      -0.865983      1.075172      3.718910
  C      -1.029905      1.526434      2.265386
  N      -2.423141      1.815288      2.044137
  H      -1.225908      5.262591      5.383743
  H      -1.892012      4.122403      6.563158
  H      -0.391067      3.553604      3.957584
  H       0.004136      2.970131      5.594311
  H      -0.639870      0.751591      1.582086
  H      -0.439625      2.439517      2.076475
  H      -1.301238      0.072862      3.828630
  H       0.199749      1.017074      4.017205
  H      -3.812322      0.049939      6.264958
  H      -3.043366     -0.369572      4.729929
  H      -2.554658      2.116968      6.454108
  H      -1.457906      0.720231      6.299489
  C     -10.249203      0.596012      7.176399
  C      -9.178679      1.491435      7.732471
  O      -9.367422      2.643307      8.051818
  N      -7.983113      0.873745      7.834790
  C      -6.792965      1.402362      8.306563
  C      -5.699253      0.525686      8.389749
  C      -4.474408      0.988458      8.831533
  C      -4.337027      2.323619      9.194841
  F      -3.108500      2.750399      9.556882
  C      -5.399984      3.227633      9.121517
  C      -5.235892      4.687642      9.448736
  O      -4.533470      5.090046     10.405081
  C      -5.942502      5.687130      8.507326
  C      -5.691341      5.306325      7.071129
  C      -6.741612      4.917068      6.218722
  C      -6.435700      4.307372      5.006532
  N      -5.175363      4.100025      4.624444
  C      -4.143545      4.582753      5.378226
  C      -4.371647      5.188787      6.628869
  C      -6.632432      2.744609      8.670966
  C      -2.532769     -2.369427      8.605997
  C      -2.873895     -2.716804      7.163219
  O      -4.054318     -2.845038      6.748908
  N      -1.760635     -2.874485      6.356529
  C      -1.714488     -3.153718      4.994207
  C      -0.463920     -3.377437      4.428148
  C      -0.345237     -3.628543      3.081488
  C      -1.473003     -3.635841      2.293016
  F      -1.308403     -3.915433      0.982564
  C      -2.735540     -3.407727      2.814099
  C      -4.011406     -3.345793      2.026137
  O      -5.075457     -3.663747      2.570183
  C      -3.998895     -2.728701      0.625795
  C      -4.177223     -1.245030      0.860062
  C      -5.472855     -0.689912      0.932519
  C      -5.613529      0.610798      1.416882
  N      -4.561694      1.354610      1.786448
  C      -3.291257      0.874503      1.610930
  C      -3.069503     -0.449205      1.160965
  C      -2.839566     -3.186754      4.186890
  C      -6.172424     -6.549143     12.740600
  C      -6.309155     -6.897828     11.279101
  O      -6.189289     -8.047770     10.851919
  N      -6.580904     -5.804769     10.481277
  C      -6.774309     -5.754269      9.101535
  C      -6.756432     -6.894649      8.290501
  C      -6.962998     -6.756837      6.934577
  C      -7.177074     -5.498605      6.381218
  F      -7.397969     -5.438099      5.056760
  C      -7.196155     -4.337801      7.155062
  C      -7.393460     -2.938202      6.658710
  O      -7.592262     -2.035993      7.472135
  C      -7.332011     -2.654595      5.177216
  C      -7.134588     -1.205902      4.824156
  C      -8.172061     -0.407999      4.303518
  C      -7.857359      0.908267      3.952854
  N      -6.642829      1.456315      4.062646
  C      -5.626863      0.702637      4.578196
  C      -5.871245     -0.644628      4.974275
  C      -6.997040     -4.501416      8.521681
  H     -10.028116      0.379651      6.115702
  H     -10.288973     -0.379131      7.700512
  H     -11.218494      1.106607      7.264193
  H      -7.925624     -0.102833      7.530800
  H      -5.819604     -0.520969      8.089180
  H      -3.609020      0.321598      8.880508
  H      -5.543389      6.684797      8.757984
  H      -7.026362      5.690599      8.720663
  H      -7.781909      5.008483      6.531381
  H      -7.205199      3.903888      4.348377
  H      -3.537263      5.485875      7.266738
  H      -7.490903      3.414610      8.596157
  H      -2.027074     -1.382342      8.667482
  H      -3.468812     -2.330113      9.191622
  H      -1.852976     -3.129424      9.041336
  H      -0.855402     -2.798549      6.817921
  H       0.424737     -3.357260      5.049759
  H       0.617850     -3.824560      2.631501
  H      -3.062527     -2.932101      0.098027
  H      -4.842077     -3.145490      0.063791
  H      -6.353049     -1.281007      0.679566
  H      -6.598616      1.063958      1.555222
  H      -2.059768     -0.864291      1.114860
  H      -3.821388     -3.017890      4.606643
  H      -5.965947     -7.466773     13.298917
  H      -5.355800     -5.834612     12.897855
  H      -7.090861     -6.090599     13.121130
  H      -6.651323     -4.909208     10.951201
  H      -6.583307     -7.873579      8.733500
  H      -6.966165     -7.628584      6.287343
  H      -8.263310     -3.047229      4.744007
  H      -6.537543     -3.259291      4.732148
  H      -9.180175     -0.803622      4.157747
  H      -8.637335      1.561755      3.537721
  H      -5.064094     -1.276344      5.356350
  H      -7.016026     -3.598703      9.129159
  N      -4.280856      4.203186      1.968945
  H      -4.812081      5.045657      2.185746
  H      -4.400326      3.938589      0.972423
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.947158587610
  N      -2.963471      4.235632      4.769535
  Mo     -3.749261      2.887261      3.325971
  N      -4.390332      1.277633      4.646649
  C      -3.390511      0.480267      5.348391
  C      -2.202141      1.326014      5.761914
  N      -1.604078      1.978735      4.595953
  C      -0.813313      3.173328      4.909406
  C      -1.710185      4.263412      5.486707
  C      -0.860287      1.056413      3.729410
  C      -1.017320      1.513002      2.274265
  N      -2.409853      1.810058      2.046980
  H      -1.193274      5.238762      5.394634
  H      -1.871039      4.095793      6.568912
  H      -0.368759      3.523773      3.966185
  H       0.016763      2.941588      5.604633
  H      -0.629071      0.737306      1.591630
  H      -0.421799      2.426211      2.089362
  H      -1.301976      0.052929      3.833296
  H       0.206510      0.992857      4.032922
  H      -3.819581      0.044645      6.267708
  H      -3.050176     -0.381227      4.736317
  H      -2.547958      2.105119      6.453991
  H      -1.458387      0.701695      6.301349
  C     -10.390033      0.659324      7.114183
  C      -9.310136      1.572254      7.669527
  O      -9.531141      2.750847      7.966495
  N      -8.085517      0.956985      7.804138
  C      -6.870929      1.478939      8.289168
  C      -5.780466      0.595782      8.383163
  C      -4.537749      1.043302      8.837905
  C      -4.376630      2.360472      9.203599
  F      -3.127936      2.776971      9.585944
  C      -5.434098      3.267627      9.118912
  C      -5.239668      4.708176      9.455406
  O      -4.543386      5.064647     10.383044
  C      -5.915079      5.705623      8.516891
  C      -5.662004      5.320356      7.077423
  C      -6.711904      4.942318      6.222776
  C      -6.407742      4.327437      5.010083
  N      -5.151881      4.107288      4.625779
  C      -4.119320      4.578193      5.380780
  C      -4.345211      5.186868      6.632034
  C      -6.682800      2.808200      8.654549
  C      -2.439335     -2.334185      8.629042
  C      -2.824342     -2.677592      7.214649
  O      -4.008210     -2.773926      6.832826
  N      -1.735955     -2.854919      6.389398
  C      -1.694477     -3.147350      5.010719
  C      -0.414681     -3.382207      4.434106
  C      -0.293649     -3.650831      3.068193
  C      -1.445688     -3.667167      2.264890
  F      -1.277943     -3.965967      0.935995
  C      -2.736632     -3.426481      2.796954
  C      -4.030748     -3.368206      2.009507
  O      -5.097981     -3.651346      2.557963
  C      -4.024066     -2.752610      0.607883
  C      -4.190694     -1.256951      0.842554
  C      -5.491865     -0.688244      0.916075
  C      -5.625340      0.621033      1.403558
  N      -4.561527      1.363465      1.782442
  C      -3.285159      0.872123      1.606007
  C      -3.069271     -0.461630      1.147673
  C      -2.839061     -3.188200      4.185479
  C      -6.078450     -6.614580     12.779022
  C      -6.243287     -6.971698     11.309484
  O      -6.135067     -8.118351     10.893871
  N      -6.525991     -5.881856     10.498575
  C      -6.751489     -5.819244      9.099822
  C      -6.764339     -6.949679      8.256255
  C      -7.001925     -6.787178      6.879919
  C      -7.215820     -5.521718      6.337848
  F      -7.466376     -5.437636      4.994641
  C      -7.206511     -4.372412      7.144099
  C      -7.399675     -2.970234      6.667428
  O      -7.577750     -2.103112      7.500019
  C      -7.354191     -2.660741      5.183043
  C      -7.145541     -1.204050      4.842841
  C      -8.178395     -0.402111      4.338566
  C      -7.862899      0.910273      3.989855
  N      -6.650345      1.455868      4.085865
  C      -5.631455      0.702435      4.589635
  C      -5.879727     -0.645983      4.985791
  C      -6.976479     -4.558926      8.531437
  H     -10.178116      0.425335      6.063104
  H     -10.435337     -0.286469      7.672796
  H     -11.350132      1.168691      7.177451
  H      -8.036565     -0.026843      7.507628
  H      -5.917875     -0.442968      8.080579
  H      -3.684475      0.371255      8.890753
  H      -5.503889      6.689007      8.764101
  H      -6.991718      5.728067      8.730420
  H      -7.750125      5.045887      6.534504
  H      -7.181515      3.935232      4.354256
  H      -3.509680      5.476313      7.268604
  H      -7.525624      3.482468      8.576499
  H      -1.918027     -1.364144      8.660933
  H      -3.356396     -2.267934      9.225592
  H      -1.764344     -3.095393      9.064535
  H      -0.821721     -2.785772      6.835404
  H       0.488903     -3.355559      5.066125
  H       0.684948     -3.855201      2.612827
  H      -3.090031     -2.967519      0.074189
  H      -4.881165     -3.162873      0.054955
  H      -6.381802     -1.275665      0.660480
  H      -6.610877      1.083153      1.540844
  H      -2.057228     -0.882165      1.103304
  H      -3.828448     -3.013197      4.607411
  H      -5.867529     -7.528078     13.350329
  H      -5.248752     -5.900655     12.918395
  H      -6.997284     -6.149829     13.168722
  H      -6.581649     -4.985991     10.973165
  H      -6.592240     -7.935779      8.684828
  H      -7.027299     -7.650725      6.214811
  H      -8.297594     -3.034479      4.749553
  H      -6.561295     -3.272536      4.724177
  H      -9.188672     -0.792101      4.198210
  H      -8.644396      1.565331      3.584704
  H      -5.076585     -1.276341      5.355962
  H      -6.973363     -3.662999      9.156629
  N      -4.253186      4.197088      1.972320
  H      -4.782747      5.048441      2.193878
  H      -4.369053      3.946951      0.998766
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.946655497096
  N      -2.991157      4.234148      4.762685
  Mo     -3.775805      2.875776      3.327585
  N      -4.390382      1.268557      4.644219
  C      -3.388565      0.477651      5.342092
  C      -2.207764      1.331687      5.755044
  N      -1.624410      1.987967      4.584198
  C      -0.841985      3.191763      4.893465
  C      -1.740728      4.276864      5.473101
  C      -0.885436      1.069090      3.710869
  C      -1.053342      1.515775      2.262435
  N      -2.440066      1.803526      2.044419
  H      -1.235014      5.252310      5.374268
  H      -1.893657      4.118084      6.555391
  H      -0.407659      3.545217      3.947986
  H      -0.005943      2.967847      5.584820
  H      -0.667738      0.744108      1.578318
  H      -0.465556      2.422606      2.074474
  H      -1.319431      0.071530      3.818548
  H       0.174255      1.010326      4.005248
  H      -3.808704      0.040471      6.261853
  H      -3.047484     -0.379729      4.725793
  H      -2.551806      2.108249      6.449921
  H      -1.459306      0.714846      6.289712
  C     -10.303054      0.545636      7.186363
  C      -9.231865      1.466665      7.727808
  O      -9.486198      2.662021      8.023825
  N      -7.987086      0.858234      7.848532
  C      -6.781390      1.391599      8.313403
  C      -5.675505      0.508385      8.403881
  C      -4.440341      0.968462      8.835949
  C      -4.300031      2.307777      9.191590
  F      -3.063714      2.732712      9.551045
  C      -5.372928      3.214666      9.116083
  C      -5.210016      4.662549      9.440490
  O      -4.512535      5.026514     10.350222
  C      -5.921579      5.669799      8.519400
  C      -5.686960      5.293000      7.080378
  C      -6.743379      4.906936      6.235150
  C      -6.445897      4.294994      5.018823
  N      -5.183774      4.086018      4.628800
  C      -4.147782      4.569581      5.379317
  C      -4.372025      5.174249      6.630753
  C      -6.614317      2.737955      8.668750
  C      -2.477093     -2.401394      8.663579
  C      -2.833860     -2.720333      7.228190
  O      -3.978414     -2.810505      6.869212
  N      -1.750811     -2.871444      6.393879
  C      -1.700885     -3.143136      5.008013
  C      -0.429188     -3.356942      4.432165
  C      -0.303148     -3.610413      3.070368
  C      -1.444737     -3.627363      2.272054
  F      -1.277016     -3.908966      0.955656
  C      -2.723347     -3.403770      2.797724
  C      -4.004700     -3.340354      2.014664
  O      -5.057521     -3.646323      2.553646
  C      -4.001210     -2.713813      0.623604
  C      -4.174241     -1.234887      0.865524
  C      -5.455123     -0.690751      0.942492
  C      -5.598395      0.591442      1.420945
  N      -4.565281      1.333499      1.788146
  C      -3.305365      0.865227      1.611779
  C      -3.083910     -0.443937      1.161904
  C      -2.832497     -3.183069      4.182065
  C      -6.191976     -6.467821     12.735580
  C      -6.324012     -6.843051     11.273378
  O      -6.198033     -7.997325     10.854877
  N      -6.597037     -5.765239     10.471035
  C      -6.789126     -5.728483      9.082665
  C      -6.771585     -6.880115      8.251815
  C      -6.977100     -6.747330      6.882881
  C      -7.188274     -5.491723      6.338841
  F      -7.407706     -5.433564      5.001345
  C      -7.207094     -4.322733      7.133829
  C      -7.405442     -2.923320      6.646026
  O      -7.608823     -2.018806      7.470689
  C      -7.341669     -2.647658      5.152803
  C      -7.144809     -1.198041      4.814724
  C      -8.170832     -0.394515      4.310450
  C      -7.847772      0.920301      3.970468
  N      -6.634085      1.460215      4.075901
  C      -5.628611      0.698840      4.577455
  C      -5.884687     -0.645649      4.963656
  C      -7.009596     -4.479727      8.511817
  H     -10.102088      0.313473      6.140559
  H     -10.317337     -0.400710      7.733027
  H     -11.271515      1.049402      7.266818
  H      -7.920119     -0.120920      7.564330
  H      -5.797188     -0.533473      8.113084
  H      -3.575200      0.301782      8.884362
  H      -5.518043      6.660339      8.774413
  H      -7.000732      5.677021      8.742782
  H      -7.781970      4.998736      6.555186
  H      -7.225012      3.892601      4.369579
  H      -3.533966      5.470315      7.265702
  H      -7.466122      3.409296      8.593437
  H      -1.960952     -1.436311      8.724431
  H      -3.394386     -2.347737      9.248916
  H      -1.813926     -3.156977      9.096275
  H      -0.844684     -2.798543      6.841916
  H       0.464823     -3.331072      5.059084
  H       0.671224     -3.800031      2.620226
  H      -3.072640     -2.919711      0.087515
  H      -4.849216     -3.122987      0.066832
  H      -6.325644     -1.280853      0.691204
  H      -6.574677      1.030427      1.556111
  H      -2.082122     -0.850594      1.112201
  H      -3.821352     -3.023330      4.600397
  H      -5.981905     -7.375717     13.300176
  H      -5.377451     -5.744729     12.893931
  H      -7.117459     -6.004429     13.111789
  H      -6.671182     -4.859710     10.942410
  H      -6.600608     -7.857513      8.685447
  H      -6.979362     -7.625776      6.225330
  H      -8.280849     -3.040140      4.711659
  H      -6.538464     -3.258732      4.698517
  H      -9.176432     -0.785004      4.167623
  H      -8.621224      1.580027      3.566520
  H      -5.088399     -1.280792      5.334738
  H      -7.029762     -3.569116      9.126716
  N      -4.297365      4.198325      1.970123
  H      -4.828619      5.037147      2.196629
  H      -4.433349      3.945262      0.950749
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.947312257986
  N      -2.993306      4.239956      4.771471
  Mo     -3.768826      2.885102      3.331252
  N      -4.387632      1.271823      4.641588
  C      -3.384373      0.480290      5.345104
  C      -2.205823      1.332990      5.763220
  N      -1.614991      1.993918      4.592835
  C      -0.834503      3.195396      4.906413
  C      -1.740703      4.279714      5.485885
  C      -0.865833      1.076360      3.721750
  C      -1.029508      1.534387      2.265960
  N      -2.424155      1.821092      2.044140
  H      -1.233490      5.258439      5.391180
  H      -1.899020      4.111831      6.569897
  H      -0.396479      3.552686      3.962886
  H      -0.000647      2.968368      5.598790
  H      -0.638261      0.762613      1.582238
  H      -0.441531      2.448749      2.078708
  H      -1.300749      0.072436      3.827582
  H       0.200652      1.017756      4.019140
  H      -3.812408      0.038694      6.262005
  H      -3.035750     -0.374947      4.730397
  H      -2.558231      2.106758      6.457260
  H      -1.458340      0.712016      6.302559
  C     -10.245989      0.481585      7.190504
  C      -9.164865      1.394990      7.742957
  O      -9.363666      2.567109      8.061376
  N      -7.957037      0.784270      7.845274
  C      -6.760587      1.332295      8.315198
  C      -5.656882      0.465056      8.398753
  C      -4.426204      0.947222      8.837189
  C      -4.297468      2.302938      9.198888
  F      -3.067818      2.752806      9.557720
  C      -5.375515      3.198811      9.125047
  C      -5.223094      4.664161      9.451293
  O      -4.525647      5.064306     10.390721
  C      -5.939509      5.665289      8.517994
  C      -5.693038      5.288583      7.082275
  C      -6.744948      4.901025      6.235207
  C      -6.443737      4.294115      5.020503
  N      -5.181923      4.090303      4.632901
  C      -4.149588      4.572165      5.386312
  C      -4.377864      5.173704      6.636381
  C      -6.608464      2.694611      8.678205
  C      -2.561724     -2.418185      8.636749
  C      -2.890339     -2.751490      7.181513
  O      -4.036258     -2.867319      6.770830
  N      -1.788061     -2.899136      6.372272
  C      -1.733313     -3.164620      4.993512
  C      -0.481268     -3.373248      4.420504
  C      -0.354701     -3.608076      3.057065
  C      -1.479748     -3.614974      2.263899
  F      -1.309936     -3.874810      0.941022
  C      -2.741179     -3.402024      2.793260
  C      -4.012161     -3.339431      2.009808
  O      -5.059839     -3.660956      2.550625
  C      -3.999192     -2.702713      0.612595
  C      -4.169048     -1.219830      0.855397
  C      -5.454377     -0.670627      0.931318
  C      -5.596242      0.616532      1.418212
  N      -4.557913      1.355711      1.788663
  C      -3.291440      0.881395      1.609329
  C      -3.069217     -0.430428      1.156212
  C      -2.852340     -3.196062      4.178282
  C      -6.164883     -6.434148     12.776897
  C      -6.303872     -6.795730     11.310635
  O      -6.170793     -7.941611     10.896535
  N      -6.591168     -5.719587     10.492549
  C      -6.787924     -5.685023      9.103832
  C      -6.758088     -6.831673      8.304431
  C      -6.965427     -6.709389      6.937903
  C      -7.189856     -5.463237      6.363490
  F      -7.408429     -5.416510      5.029219
  C      -7.220339     -4.297880      7.126093
  C      -7.423299     -2.906005      6.609096
  O      -7.639913     -1.987369      7.424600
  C      -7.345901     -2.639054      5.125352
  C      -7.141676     -1.194445      4.780026
  C      -8.167815     -0.394432      4.253859
  C      -7.845275      0.920620      3.915271
  N      -6.630433      1.464534      4.040711
  C      -5.623931      0.702380      4.561684
  C      -5.878774     -0.641600      4.946929
  C      -7.022613     -4.446044      8.502632
  H     -10.031615      0.260293      6.121825
  H     -10.285936     -0.487996      7.721896
  H     -11.211045      0.983836      7.283982
  H      -7.903969     -0.198996      7.542242
  H      -5.770327     -0.587228      8.102505
  H      -3.555804      0.288655      8.885788
  H      -5.541888      6.661990      8.771827
  H      -7.020733      5.666047      8.733889
  H      -7.782827      4.991701      6.553611
  H      -7.219670      3.894218      4.370419
  H      -3.543802      5.470385      7.272317
  H      -7.470831      3.355332      8.604126
  H      -2.055276     -1.444770      8.711973
  H      -3.490433     -2.378500      9.210268
  H      -1.898338     -3.167001      9.075618
  H      -0.888928     -2.823680      6.836884
  H       0.403455     -3.354478      5.043003
  H       0.611519     -3.790602      2.601424
  H      -3.063804     -2.903010      0.081489
  H      -4.851637     -3.109788      0.047758
  H      -6.330622     -1.260541      0.677798
  H      -6.576900      1.064856      1.560901
  H      -2.062704     -0.841394      1.107015
  H      -3.837162     -3.038637      4.600701
  H      -5.944657     -7.340977     13.353506
  H      -5.350514     -5.710047     12.917896
  H      -7.093758     -5.984257     13.159226
  H      -6.671345     -4.821807     10.951568
  H      -6.575239     -7.801311      8.764859
  H      -6.958810     -7.585544      6.300494
  H      -8.273289     -3.033329      4.683142
  H      -6.544728     -3.243245      4.689986
  H      -9.174087     -0.788083      4.094593
  H      -8.617581      1.579394      3.496924
  H      -5.080988     -1.279360      5.333644
  H      -7.050137     -3.539476      9.099691
  N      -4.288993      4.192445      1.981035
  H      -4.817569      5.030902      2.195100
  H      -4.400921      3.951419      1.042897
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.945952811150
  N      -2.966224      4.244613      4.758046
  Mo     -3.753141      2.886735      3.322159
  N      -4.387470      1.282539      4.647843
  C      -3.385773      0.490849      5.351100
  C      -2.199537      1.340843      5.758233
  N      -1.606901      1.990914      4.586986
  C      -0.816218      3.189104      4.894647
  C      -1.713098      4.280326      5.471124
  C      -0.863809      1.064157      3.720844
  C      -1.023888      1.513336      2.267432
  N      -2.414270      1.807453      2.044571
  H      -1.200182      5.256346      5.372925
  H      -1.869153      4.119434      6.554525
  H      -0.375299      3.537525      3.949264
  H       0.016000      2.959944      5.588001
  H      -0.636188      0.736286      1.585427
  H      -0.431239      2.424874      2.078963
  H      -1.303181      0.062141      3.829778
  H       0.200735      1.003062      4.023191
  H      -3.811304      0.060194      6.273535
  H      -3.046869     -0.373330      4.741957
  H      -2.543001      2.122335      6.449388
  H      -1.451997      0.721303      6.296411
  C     -10.352844      0.629335      7.145854
  C      -9.267626      1.542028      7.694391
  O      -9.470453      2.698247      7.980379
  N      -8.044328      0.934428      7.829022
  C      -6.834938      1.466022      8.309992
  C      -5.752941      0.590844      8.403825
  C      -4.519872      1.040584      8.851150
  C      -4.361733      2.357753      9.211174
  F      -3.121272      2.773844      9.586418
  C      -5.412506      3.261348      9.126469
  C      -5.232010      4.714117      9.454840
  O      -4.526489      5.111854     10.407955
  C      -5.922001      5.705201      8.505060
  C      -5.666022      5.321960      7.065507
  C      -6.716083      4.935990      6.212685
  C      -6.411699      4.322127      5.001049
  N      -5.155193      4.109281      4.617628
  C      -4.121900      4.587518      5.370471
  C      -4.346811      5.197476      6.620585
  C      -6.652294      2.794535      8.667691
  C      -2.463936     -2.335770      8.617266
  C      -2.839700     -2.690238      7.195859
  O      -4.035924     -2.817993      6.797245
  N      -1.736459     -2.849605      6.371816
  C      -1.698573     -3.140628      5.003487
  C      -0.430642     -3.363788      4.430988
  C      -0.312257     -3.627886      3.075880
  C      -1.458237     -3.650371      2.282115
  F      -1.290571     -3.942141      0.958958
  C      -2.739653     -3.422515      2.810102
  C      -4.029280     -3.372695      2.021925
  O      -5.073985     -3.661782      2.561028
  C      -4.026216     -2.758279      0.624168
  C      -4.193007     -1.265149      0.856114
  C      -5.496814     -0.698725      0.932926
  C      -5.630660      0.612304      1.417285
  N      -4.564314      1.355717      1.788558
  C      -3.287154      0.867170      1.608549
  C      -3.068386     -0.467153      1.154160
  C      -2.840105     -3.187993      4.190457
  C      -6.143653     -6.620156     12.746857
  C      -6.294252     -6.964481     11.274991
  O      -6.187124     -8.111989     10.838035
  N      -6.562022     -5.867430     10.482637
  C      -6.766314     -5.805442      9.093955
  C      -6.765156     -6.937863      8.257521
  C      -6.980509     -6.783659      6.893953
  C      -7.189271     -5.519104      6.356039
  F      -7.420224     -5.442859      5.022679
  C      -7.195517     -4.366317      7.154725
  C      -7.391912     -2.963797      6.677080
  O      -7.588214     -2.084935      7.502270
  C      -7.332075     -2.662180      5.191050
  C      -7.130479     -1.207632      4.848450
  C      -8.167679     -0.411065      4.337421
  C      -7.858035      0.902069      3.985197
  N      -6.646638      1.452777      4.083780
  C      -5.626147      0.703778      4.594636
  C      -5.866816     -0.643678      4.995800
  C      -6.984396     -4.545340      8.530603
  H     -10.140296      0.390724      6.088779
  H     -10.385951     -0.318062      7.704625
  H     -11.329719      1.133418      7.207915
  H      -7.990833     -0.053508      7.538885
  H      -5.889221     -0.446794      8.105428
  H      -3.669803      0.372758      8.905451
  H      -5.520149      6.696499      8.750582
  H      -7.002844      5.716040      8.717501
  H      -7.755062      5.032548      6.525553
  H      -7.182022      3.921480      4.344019
  H      -3.511415      5.491377      7.256704
  H      -7.496959      3.464179      8.588130
  H      -1.957179     -1.355592      8.652894
  H      -3.385306     -2.287231      9.216447
  H      -1.777502     -3.091181      9.049435
  H      -0.821048     -2.766615      6.818051
  H       0.470708     -3.331734      5.058061
  H       0.663752     -3.823158      2.620874
  H      -3.094286     -2.974631      0.089059
  H      -4.880343     -3.168740      0.073787
  H      -6.386339     -1.288290      0.682585
  H      -6.617772      1.074199      1.556407
  H      -2.055939     -0.887337      1.106761
  H      -3.827375     -3.020570      4.613766
  H      -5.942115     -7.540507     13.300745
  H      -5.316593     -5.913890     12.906132
  H      -7.060388     -6.150997     13.135634
  H      -6.622118     -4.973438     10.964908
  H      -6.597614     -7.922542      8.684858
  H      -6.994667     -7.649976      6.230422
  H      -8.268668     -3.042792      4.750017
  H      -6.533374     -3.272468      4.741453
  H      -9.175396     -0.806616      4.195539
  H      -8.641731      1.552277      3.575810
  H      -5.060199     -1.269908      5.372512
  H      -6.991558     -3.647286      9.155031
  N      -4.259912      4.199310      1.962339
  H      -4.789369      5.049691      2.183597
  H      -4.388416      3.933403      0.957840
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.946973141587
  N      -2.974200      4.218698      4.792298
  Mo     -3.758166      2.872754      3.346672
  N      -4.399615      1.264528      4.656607
  C      -3.406091      0.464176      5.362211
  C      -2.219196      1.307715      5.786507
  N      -1.620662      1.962596      4.622862
  C      -0.831245      3.157047      4.941529
  C      -1.727148      4.246915      5.516081
  C      -0.879068      1.042097      3.754296
  C      -1.027290      1.497665      2.301282
  N      -2.414848      1.798214      2.065661
  H      -1.209313      5.218265      5.424922
  H      -1.891916      4.084785      6.596969
  H      -0.385481      3.509294      4.001130
  H      -0.002141      2.924786      5.639538
  H      -0.639361      0.724034      1.620050
  H      -0.426378      2.402997      2.121122
  H      -1.325654      0.044796      3.853814
  H       0.182132      0.972719      4.062487
  H      -3.836544      0.029587      6.280279
  H      -3.066119     -0.393837      4.746180
  H      -2.565141      2.083772      6.480525
  H      -1.477562      0.683585      6.325731
  C     -10.347145      0.635406      7.126333
  C      -9.282278      1.543999      7.679961
  O      -9.532066      2.731092      7.983001
  N      -8.047254      0.930316      7.805990
  C      -6.840925      1.447725      8.286693
  C      -5.743452      0.557809      8.393428
  C      -4.505712      1.005178      8.848264
  C      -4.352010      2.330018      9.208735
  F      -3.109260      2.739789      9.590183
  C      -5.414108      3.241809      9.118582
  C      -5.236384      4.679438      9.452681
  O      -4.544724      5.025796     10.364904
  C      -5.923130      5.685823      8.528493
  C      -5.681980      5.301205      7.091220
  C      -6.733037      4.925578      6.234271
  C      -6.426873      4.311802      5.021584
  N      -5.165631      4.092889      4.640101
  C      -4.133680      4.562244      5.400047
  C      -4.364285      5.165920      6.652428
  C      -6.660969      2.780215      8.648304
  C      -2.474998     -2.392226      8.601121
  C      -2.846153     -2.719977      7.183032
  O      -4.016932     -2.817996      6.823114
  N      -1.761821     -2.876292      6.358565
  C      -1.713201     -3.158751      4.983996
  C      -0.435564     -3.381946      4.421762
  C      -0.305374     -3.645749      3.066010
  C      -1.447811     -3.662808      2.253608
  F      -1.276560     -3.956893      0.942378
  C      -2.734217     -3.431408      2.767188
  C      -4.016173     -3.372653      1.967496
  O      -5.111980     -3.724167      2.504635
  C      -3.994093     -2.727787      0.572625
  C      -4.171590     -1.245445      0.832284
  C      -5.461705     -0.689147      0.902126
  C      -5.600769      0.604724      1.399604
  N      -4.551994      1.344479      1.789067
  C      -3.287467      0.864994      1.619010
  C      -3.070950     -0.455270      1.153645
  C      -2.848414     -3.202484      4.149338
  C      -6.057836     -6.479634     12.757562
  C      -6.214760     -6.859037     11.298635
  O      -6.071990     -8.011399     10.894639
  N      -6.527781     -5.783168     10.484042
  C      -6.747807     -5.745902      9.095167
  C      -6.724423     -6.894308      8.272454
  C      -6.955269     -6.759860      6.903690
  C      -7.194396     -5.504824      6.351190
  F      -7.434263     -5.446261      5.016789
  C      -7.216854     -4.338309      7.137667
  C      -7.429526     -2.941975      6.646083
  O      -7.633439     -2.056562      7.461241
  C      -7.367079     -2.653459      5.161545
  C      -7.166506     -1.199620      4.823574
  C      -8.196375     -0.389790      4.320819
  C      -7.870865      0.926817      3.985172
  N      -6.652691      1.463078      4.090820
  C      -5.641914      0.699232      4.586686
  C      -5.902338     -0.648409      4.970718
  C      -6.998964     -4.497171      8.515200
  H     -10.142826      0.419850      6.083634
  H     -10.372280     -0.318406      7.668729
  H     -11.305607      1.143227      7.206755
  H      -7.986550     -0.044237      7.518813
  H      -5.871379     -0.479866      8.099698
  H      -3.646759      0.332468      8.910064
  H      -5.512605      6.668910      8.782364
  H      -7.000549      5.705928      8.746996
  H      -7.773797      5.028037      6.542748
  H      -7.201323      3.918510      4.363225
  H      -3.529022      5.452594      7.294482
  H      -7.506657      3.456923      8.561793
  H      -1.961890     -1.425615      8.648937
  H      -3.392006     -2.334394      9.185248
  H      -1.800899     -3.147036      9.039491
  H      -0.852094     -2.799418      6.804615
  H       0.459329     -3.355074      5.058875
  H       0.670518     -3.844541      2.628044
  H      -3.055593     -2.920719      0.046036
  H      -4.837032     -3.134815     -0.005728
  H      -6.338637     -1.275895      0.633062
  H      -6.580048      1.053635      1.532773
  H      -2.065236     -0.869052      1.107978
  H      -3.838707     -3.035986      4.558087
  H      -5.818586     -7.384042     13.332824
  H      -5.248842     -5.735759     12.890170
  H      -6.985745     -6.039132     13.146282
  H      -6.610347     -4.879514     10.947309
  H      -6.528832     -7.871553      8.711729
  H      -6.953438     -7.636153      6.253279
  H      -8.302614     -3.041284      4.722217
  H      -6.569610     -3.260435      4.709819
  H      -9.206451     -0.777326      4.174621
  H      -8.646510      1.590773      3.584523
  H      -5.104249     -1.286764      5.338315
  H      -7.022225     -3.588451      9.123056
  N      -4.266399      4.200813      1.987237
  H      -4.790808      5.047693      2.210469
  H      -4.393296      3.964920      0.996771
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.947566987000
  N      -2.990030      4.243322      4.757549
  Mo     -3.770680      2.878903      3.327246
  N      -4.385004      1.270811      4.645784
  C      -3.382688      0.481404      5.350240
  C      -2.203159      1.336701      5.759693
  N      -1.616769      1.990780      4.584305
  C      -0.834031      3.193759      4.889528
  C      -1.735644      4.283509      5.466322
  C      -0.873463      1.066936      3.716181
  C      -1.039552      1.519433      2.262282
  N      -2.432476      1.808702      2.043091
  H      -1.227474      5.260445      5.363703
  H      -1.890264      4.122544      6.551302
  H      -0.397998      3.545327      3.941991
  H       0.000876      2.969225      5.581116
  H      -0.651381      0.744698      1.579930
  H      -0.450992      2.431894      2.070866
  H      -1.309516      0.065253      3.826765
  H       0.192062      1.006200      4.009558
  H      -3.809786      0.045762      6.270307
  H      -3.037388     -0.379311      4.739895
  H      -2.552044      2.115634      6.451086
  H      -1.455502      0.717755      6.299388
  C     -10.262402      0.556267      7.170860
  C      -9.186942      1.471546      7.730525
  O      -9.410410      2.663115      8.055714
  N      -7.973401      0.851171      7.832181
  C      -6.777822      1.382780      8.303302
  C      -5.670698      0.500916      8.398397
  C      -4.440620      0.971042      8.842797
  C      -4.312655      2.322727      9.197153
  F      -3.084484      2.762535      9.562274
  C      -5.389856      3.228778      9.112353
  C      -5.223625      4.684043      9.437603
  O      -4.529318      5.056392     10.364187
  C      -5.931215      5.688753      8.507845
  C      -5.684147      5.306866      7.072120
  C      -6.737703      4.918938      6.227701
  C      -6.439656      4.303814      5.013870
  N      -5.179245      4.095782      4.623621
  C      -4.144377      4.579736      5.373487
  C      -4.369839      5.186711      6.623147
  C      -6.621942      2.741342      8.662535
  C      -2.564890     -2.420174      8.673795
  C      -2.894298     -2.746614      7.216019
  O      -4.027102     -2.848924      6.819513
  N      -1.798264     -2.892855      6.397707
  C      -1.733358     -3.157715      5.005278
  C      -0.464223     -3.361668      4.425272
  C      -0.328838     -3.596265      3.052761
  C      -1.459844     -3.609427      2.255940
  F      -1.279691     -3.867984      0.924278
  C      -2.736888     -3.400211      2.791214
  C      -4.012517     -3.339341      2.016253
  O      -5.036953     -3.636051      2.553477
  C      -4.018626     -2.712821      0.629021
  C      -4.179232     -1.228766      0.872095
  C      -5.462191     -0.678640      0.957457
  C      -5.601385      0.605280      1.435610
  N      -4.563128      1.342954      1.796544
  C      -3.299168      0.869036      1.613156
  C      -3.079211     -0.440783      1.162004
  C      -2.853261     -3.193126      4.180767
  C      -6.165229     -6.504515     12.767764
  C      -6.287090     -6.862597     11.300239
  O      -6.147380     -8.006773     10.879750
  N      -6.571995     -5.783825     10.491246
  C      -6.766546     -5.737053      9.096315
  C      -6.736784     -6.877112      8.267265
  C      -6.950219     -6.737067      6.891680
  C      -7.179789     -5.483674      6.337925
  F      -7.406103     -5.418304      4.994195
  C      -7.208711     -4.325930      7.130920
  C      -7.416974     -2.929928      6.635370
  O      -7.635956     -2.030353      7.466653
  C      -7.341495     -2.647493      5.147420
  C      -7.137786     -1.199179      4.803824
  C      -8.160300     -0.399550      4.284790
  C      -7.837894      0.914683      3.942165
  N      -6.627144      1.459610      4.057072
  C      -5.622588      0.699638      4.573357
  C      -5.877034     -0.643860      4.964029
  C      -7.004524     -4.490899      8.515870
  H     -10.049184      0.338394      6.105096
  H     -10.299632     -0.411554      7.690115
  H     -11.226568      1.061160      7.271342
  H      -7.921595     -0.129589      7.531098
  H      -5.783081     -0.552189      8.106265
  H      -3.569110      0.302903      8.902764
  H      -5.529831      6.682577      8.760943
  H      -7.010890      5.693870      8.722131
  H      -7.774715      5.013601      6.547791
  H      -7.218019      3.902611      4.366783
  H      -3.533989      5.483988      7.256994
  H      -7.478615      3.413374      8.581353
  H      -2.050478     -1.446702      8.749761
  H      -3.493988     -2.375950      9.251699
  H      -1.907297     -3.172353      9.111479
  H      -0.899724     -2.816289      6.863402
  H       0.422155     -3.339280      5.051487
  H       0.647241     -3.774055      2.592893
  H      -3.093788     -2.928327      0.086686
  H      -4.878336     -3.113166      0.081782
  H      -6.339246     -1.266790      0.713585
  H      -6.580035      1.051121      1.581361
  H      -2.074637     -0.850577      1.107733
  H      -3.843939     -3.041423      4.605506
  H      -5.948823     -7.412293     13.337592
  H      -5.357435     -5.779950     12.925057
  H      -7.099741     -6.056601     13.141999
  H      -6.658170     -4.888035     10.962206
  H      -6.552034     -7.852247      8.709265
  H      -6.944511     -7.606970      6.234463
  H      -8.274356     -3.039521      4.699608
  H      -6.533409     -3.253770      4.704914
  H      -9.164521     -0.791790      4.131807
  H      -8.609937      1.572399      3.528214
  H      -5.081128     -1.277222      5.348560
  H      -7.033072     -3.589705      9.131281
  N      -4.290868      4.180062      1.975582
  H      -4.818929      5.021999      2.198275
  H      -4.416244      3.916320      0.988914
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.947948063323
  N      -2.983065      4.240694      4.760523
  Mo     -3.766449      2.879934      3.326651
  N      -4.389481      1.279278      4.647790
  C      -3.386594      0.492112      5.351763
  C      -2.203394      1.344728      5.758597
  N      -1.616789      1.998506      4.585372
  C      -0.830418      3.200929      4.892356
  C      -1.731271      4.286120      5.472155
  C      -0.871924      1.076652      3.714642
  C      -1.035450      1.523257      2.262053
  N      -2.423526      1.811608      2.040800
  H      -1.225682      5.264572      5.374570
  H      -1.884375      4.124568      6.555127
  H      -0.395633      3.553172      3.946768
  H       0.005288      2.974789      5.581713
  H      -0.646872      0.747234      1.580697
  H      -0.446430      2.431967      2.072698
  H      -1.307338      0.076611      3.822281
  H       0.189027      1.018915      4.015415
  H      -3.808745      0.061083      6.274050
  H      -3.044980     -0.368866      4.741586
  H      -2.547814      2.123422      6.451304
  H      -1.453020      0.728310      6.294153
  C     -10.282749      0.450297      7.210699
  C      -9.193314      1.379795      7.738085
  O      -9.399949      2.541217      8.014249
  N      -7.959561      0.790035      7.866275
  C      -6.752970      1.353466      8.338580
  C      -5.660243      0.496157      8.428574
  C      -4.432034      0.976378      8.863273
  C      -4.289250      2.317424      9.221146
  F      -3.055481      2.758832      9.582531
  C      -5.355156      3.207334      9.141745
  C      -5.209890      4.676483      9.461958
  O      -4.509378      5.104407     10.411355
  C      -5.926716      5.664618      8.514617
  C      -5.681778      5.291210      7.074443
  C      -6.735110      4.901171      6.227614
  C      -6.433949      4.293941      5.013361
  N      -5.173221      4.092268      4.625269
  C      -4.139469      4.576632      5.376171
  C      -4.364650      5.179713      6.626719
  C      -6.588902      2.704795      8.691249
  C      -2.501593     -2.384628      8.604716
  C      -2.862445     -2.731504      7.182554
  O      -4.030751     -2.870818      6.790365
  N      -1.759578     -2.863418      6.359981
  C      -1.714495     -3.139554      4.990042
  C      -0.455124     -3.343375      4.424682
  C      -0.330049     -3.592191      3.070026
  C      -1.462942     -3.615135      2.274580
  F      -1.292514     -3.889941      0.957607
  C      -2.733705     -3.405605      2.794373
  C      -4.012889     -3.361063      1.999350
  O      -5.064982     -3.705265      2.528978
  C      -4.003707     -2.722538      0.609115
  C      -4.175293     -1.239990      0.853916
  C      -5.467855     -0.687347      0.934295
  C      -5.608991      0.605133      1.422374
  N      -4.562875      1.345596      1.791655
  C      -3.291052      0.870254      1.607642
  C      -3.067704     -0.447772      1.151861
  C      -2.843531     -3.188559      4.175426
  C      -6.223038     -6.445605     12.743521
  C      -6.357177     -6.811959     11.277502
  O      -6.242107     -7.962553     10.849008
  N      -6.618449     -5.733100     10.477892
  C      -6.805290     -5.699086      9.093616
  C      -6.786929     -6.847999      8.279579
  C      -6.983519     -6.724284      6.918650
  C      -7.191804     -5.475230      6.362355
  F      -7.404947     -5.426987      5.030920
  C      -7.216636     -4.307480      7.138665
  C      -7.418170     -2.912645      6.636222
  O      -7.640496     -1.999160      7.452455
  C      -7.333153     -2.642890      5.146399
  C      -7.132073     -1.195407      4.807964
  C      -8.162458     -0.399737      4.286290
  C      -7.848867      0.914553      3.948104
  N      -6.636626      1.462594      4.067171
  C      -5.625993      0.707166      4.583869
  C      -5.872881     -0.637090      4.974685
  C      -7.022211     -4.456000      8.511983
  H     -10.082018      0.208122      6.149038
  H     -10.296044     -0.494881      7.778585
  H     -11.268903      0.940789      7.278414
  H      -7.899157     -0.205055      7.584052
  H      -5.783526     -0.549057      8.135377
  H      -3.573026      0.327657      8.913544
  H      -5.534243      6.664240      8.761871
  H      -7.009464      5.662264      8.736701
  H      -7.773787      4.987652      6.546499
  H      -7.207714      3.888148      4.362213
  H      -3.529078      5.477013      7.261690
  H      -7.445687      3.356946      8.615293
  H      -2.018350     -1.399589      8.649946
  H      -3.422905     -2.357424      9.195871
  H      -1.800600     -3.128226      9.031502
  H      -0.850879     -2.770708      6.807998
  H       0.436973     -3.310634      5.051946
  H       0.641842     -3.773677      2.622660
  H      -3.068774     -2.923287      0.077283
  H      -4.849398     -3.129549      0.046678
  H      -6.347520     -1.278306      0.681518
  H      -6.593037      1.056739      1.566053
  H      -2.058830     -0.861258      1.098206
  H      -3.829685     -3.035318      4.591759
  H      -6.025508     -7.354452     13.305057
  H      -5.403116     -5.734552     12.903221
  H      -7.142060     -5.975628     13.119971
  H      -6.688416     -4.832131     10.948048
  H      -6.619579     -7.820540      8.723561
  H      -6.983449     -7.603422      6.270922
  H      -8.262165     -3.032506      4.695551
  H      -6.529480     -3.255478      4.711911
  H      -9.166483     -0.798220      4.127027
  H      -8.626099      1.567486      3.532795
  H      -5.072414     -1.267386      5.358247
  H      -7.042121     -3.545756      9.119908
  N      -4.292364      4.192198      1.966776
  H      -4.819319      5.037309      2.186684
  H      -4.418364      3.948024      1.007856
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.948780041860
  N      -2.965285      4.230273      4.783434
  Mo     -3.750144      2.878140      3.340830
  N      -4.392140      1.270304      4.656688
  C      -3.398794      0.470296      5.366072
  C      -2.212450      1.315490      5.784880
  N      -1.612263      1.966439      4.618053
  C      -0.820862      3.160107      4.933230
  C      -1.715918      4.254553      5.504866
  C      -0.869702      1.040912      3.753763
  C      -1.016536      1.499693      2.299586
  N      -2.406706      1.801195      2.063887
  H      -1.194611      5.225741      5.409920
  H      -1.880816      4.093229      6.587401
  H      -0.371734      3.508578      3.991521
  H       0.006310      2.927955      5.633338
  H      -0.627161      0.726335      1.617198
  H      -0.416804      2.409924      2.120089
  H      -1.317051      0.040445      3.854661
  H       0.194706      0.970883      4.061915
  H      -3.833728      0.039501      6.284900
  H      -3.059479     -0.392176      4.755531
  H      -2.559672      2.094992      6.475297
  H      -1.470579      0.692233      6.327255
  C     -10.339608      0.659961      7.115540
  C      -9.274327      1.563099      7.669454
  O      -9.498434      2.733699      7.974506
  N      -8.052849      0.947160      7.796169
  C      -6.849833      1.466954      8.279487
  C      -5.759321      0.580219      8.395327
  C      -4.525398      1.022305      8.857588
  C      -4.373118      2.341946      9.213296
  F      -3.132988      2.751998      9.607045
  C      -5.430932      3.253657      9.111106
  C      -5.246304      4.694036      9.447796
  O      -4.543631      5.054970     10.379771
  C      -5.927726      5.698357      8.516919
  C      -5.672578      5.315125      7.079809
  C      -6.721071      4.938608      6.221635
  C      -6.413821      4.324718      5.010293
  N      -5.155468      4.106651      4.630605
  C      -4.123172      4.575090      5.390528
  C      -4.353376      5.180875      6.641740
  C      -6.672216      2.796120      8.635995
  C      -2.537688     -2.396432      8.645226
  C      -2.880222     -2.727702      7.187731
  O      -4.060103     -2.844028      6.784173
  N      -1.776166     -2.879051      6.365060
  C      -1.722851     -3.160180      4.987797
  C      -0.451569     -3.378820      4.421416
  C      -0.326025     -3.638960      3.067032
  C      -1.467238     -3.659085      2.263615
  F      -1.297777     -3.946590      0.947795
  C      -2.747201     -3.433417      2.781576
  C      -4.027242     -3.379620      1.980869
  O      -5.100854     -3.700160      2.514872
  C      -4.009345     -2.744781      0.583553
  C      -4.180764     -1.255904      0.833251
  C      -5.478559     -0.692987      0.901956
  C      -5.613842      0.611823      1.397952
  N      -4.553618      1.352353      1.787669
  C      -3.281915      0.866572      1.615747
  C      -3.066148     -0.461946      1.151276
  C      -2.856957     -3.205392      4.161787
  C      -6.006803     -6.549404     12.763317
  C      -6.176916     -6.904145     11.293830
  O      -6.025118     -8.049021     10.877882
  N      -6.509756     -5.818376     10.481444
  C      -6.738840     -5.766819      9.091062
  C      -6.707737     -6.903395      8.270334
  C      -6.942002     -6.759404      6.904979
  C      -7.191338     -5.501553      6.352316
  F      -7.430185     -5.434943      5.021054
  C      -7.221688     -4.345041      7.135989
  C      -7.437459     -2.948217      6.645265
  O      -7.647606     -2.070651      7.456407
  C      -7.370063     -2.650182      5.164711
  C      -7.162177     -1.195842      4.826461
  C      -8.191849     -0.386377      4.317997
  C      -7.866414      0.928811      3.977188
  N      -6.648162      1.466321      4.083222
  C      -5.635048      0.702656      4.587460
  C      -5.893561     -0.644043      4.977835
  C      -7.002357     -4.514444      8.510723
  H     -10.133568      0.442704      6.072471
  H     -10.371007     -0.295746      7.652417
  H     -11.294560      1.169818      7.196832
  H      -7.994313     -0.033807      7.509704
  H      -5.887837     -0.457224      8.105220
  H      -3.671810      0.342140      8.928079
  H      -5.519198      6.680905      8.771027
  H      -7.006016      5.716972      8.726080
  H      -7.761178      5.041755      6.529901
  H      -7.185518      3.931328      4.350539
  H      -3.519494      5.467403      7.283788
  H      -7.516372      3.474685      8.541278
  H      -2.014060     -1.427933      8.714493
  H      -3.462956     -2.344795      9.231547
  H      -1.887922     -3.149071      9.085955
  H      -0.870574     -2.798210      6.822257
  H       0.443459     -3.350336      5.055495
  H       0.648746     -3.832926      2.620604
  H      -3.070839     -2.948551      0.052854
  H      -4.861743     -3.151349      0.016341
  H      -6.363611     -1.279689      0.636919
  H      -6.596551      1.068040      1.530851
  H      -2.056214     -0.878797      1.107690
  H      -3.847944     -3.043181      4.579411
  H      -5.749685     -7.462068     13.334485
  H      -5.198830     -5.802601     12.890490
  H      -6.941439     -6.122172     13.168846
  H      -6.597577     -4.923639     10.950010
  H      -6.501950     -7.882283      8.711591
  H      -6.933721     -7.628128      6.254255
  H      -8.301390     -3.032056      4.719453
  H      -6.570403     -3.255676      4.720595
  H      -9.203181     -0.772238      4.170468
  H      -8.642911      1.591883      3.573014
  H      -5.094564     -1.282610      5.352726
  H      -7.029586     -3.613789      9.120826
  N      -4.249927      4.193360      1.983613
  H      -4.773571      5.042961      2.202603
  H      -4.379778      3.935397      0.990117
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.948318831918
  N      -2.984569      4.231654      4.775388
  Mo     -3.765164      2.871309      3.341652
  N      -4.395753      1.266299      4.659375
  C      -3.398804      0.474235      5.368532
  C      -2.215339      1.325072      5.782906
  N      -1.623015      1.975717      4.611242
  C      -0.835489      3.174415      4.919834
  C      -1.733458      4.267878      5.491974
  C      -0.879876      1.049082      3.747165
  C      -1.033285      1.499922      2.292230
  N      -2.422777      1.796384      2.063402
  H      -1.220401      5.241699      5.391591
  H      -1.893502      4.109902      6.575405
  H      -0.394178      3.523139      3.974868
  H      -0.004469      2.945875      5.615289
  H      -0.644751      0.723037      1.613252
  H      -0.437864      2.408078      2.104894
  H      -1.322174      0.050411      3.854817
  H       0.183150      0.983142      4.049627
  H      -3.829354      0.043240      6.289352
  H      -3.056210     -0.389026      4.759707
  H      -2.562725      2.104635      6.473561
  H      -1.470792      0.704200      6.323616
  C     -10.298042      0.633129      7.129635
  C      -9.221110      1.538353      7.713443
  O      -9.447269      2.722335      8.041024
  N      -8.009369      0.916031      7.820884
  C      -6.812416      1.431932      8.303345
  C      -5.709782      0.545567      8.407285
  C      -4.478512      1.010226      8.861589
  C      -4.341698      2.349944      9.214845
  F      -3.110086      2.777637      9.585845
  C      -5.410449      3.257449      9.122463
  C      -5.236284      4.704735      9.443523
  O      -4.547486      5.060837     10.360746
  C      -5.933185      5.706282      8.511242
  C      -5.686902      5.315928      7.076800
  C      -6.738131      4.929783      6.226569
  C      -6.434196      4.310598      5.015831
  N      -5.173398      4.096964      4.630249
  C      -4.141165      4.575584      5.384924
  C      -4.370717      5.186400      6.634069
  C      -6.646462      2.778455      8.663302
  C      -2.475267     -2.398145      8.558151
  C      -2.862137     -2.738798      7.170470
  O      -4.027368     -2.851416      6.815670
  N      -1.783666     -2.885439      6.357727
  C      -1.736164     -3.161592      4.990429
  C      -0.453914     -3.362355      4.413038
  C      -0.309929     -3.600319      3.042252
  C      -1.448031     -3.620279      2.240315
  F      -1.256161     -3.878477      0.903495
  C      -2.743930     -3.418694      2.776905
  C      -4.023251     -3.367183      1.988414
  O      -5.080609     -3.694668      2.518221
  C      -4.011228     -2.722498      0.601816
  C      -4.174357     -1.239559      0.859858
  C      -5.460001     -0.686159      0.939176
  C      -5.598521      0.600865      1.428815
  N      -4.554301      1.337848      1.803820
  C      -3.291395      0.860951      1.625285
  C      -3.073371     -0.452649      1.166068
  C      -2.868018     -3.208942      4.167568
  C      -6.155304     -6.512703     12.769209
  C      -6.272330     -6.883941     11.308928
  O      -6.141511     -8.033926     10.891920
  N      -6.548647     -5.805901     10.502864
  C      -6.745774     -5.763643      9.110223
  C      -6.724810     -6.907111      8.275550
  C      -6.946172     -6.768463      6.900254
  C      -7.176712     -5.513446      6.351504
  F      -7.415806     -5.450776      5.007832
  C      -7.198496     -4.352153      7.149472
  C      -7.413673     -2.956710      6.659216
  O      -7.633684     -2.070363      7.487927
  C      -7.342293     -2.667083      5.170793
  C      -7.145677     -1.214230      4.827840
  C      -8.174730     -0.414646      4.310366
  C      -7.856052      0.901544      3.967128
  N      -6.644448      1.448024      4.078402
  C      -5.634393      0.693242      4.591349
  C      -5.886236     -0.653479      4.985344
  C      -6.983511     -4.515131      8.535106
  H     -10.073542      0.431846      6.054840
  H     -10.345307     -0.342813      7.643593
  H     -11.263459      1.137051      7.228899
  H      -7.963341     -0.055215      7.518024
  H      -5.825235     -0.504080      8.113166
  H      -3.607411      0.343971      8.929154
  H      -5.528760      6.698140      8.760308
  H      -7.012721      5.717604      8.725243
  H      -7.777253      5.029328      6.539164
  H      -7.209999      3.910656      4.364230
  H      -3.535908      5.480842      7.271773
  H      -7.498796      3.452937      8.574210
  H      -1.988018     -1.419011      8.583631
  H      -3.387221     -2.354324      9.143584
  H      -1.763760     -3.150803      8.991845
  H      -0.870478     -2.797957      6.797334
  H       0.439350     -3.331078      5.039020
  H       0.676884     -3.773866      2.583186
  H      -3.080494     -2.930392      0.067213
  H      -4.865741     -3.118170      0.036032
  H      -6.336198     -1.272229      0.682321
  H      -6.576306      1.048243      1.568830
  H      -2.069434     -0.864043      1.114650
  H      -3.864702     -3.058614      4.588351
  H      -5.953545     -7.418287     13.335345
  H      -5.345069     -5.792908     12.934587
  H      -7.079525     -6.053690     13.133904
  H      -6.630466     -4.906001     10.974743
  H      -6.542093     -7.884020      8.710534
  H      -6.948087     -7.640868      6.239440
  H      -8.274386     -3.060372      4.724035
  H      -6.534004     -3.269512      4.726502
  H      -9.179398     -0.809467      4.157904
  H      -8.631921      1.557984      3.555259
  H      -5.085937     -1.283227      5.368717
  H      -7.006773     -3.610995      9.152626
  N      -4.273736      4.181862      1.981261
  H      -4.796724      5.028073      2.200919
  H      -4.399501      3.926032      0.993201
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.947990730582
  N      -2.984192      4.240013      4.753672
  Mo     -3.770107      2.878219      3.323178
  N      -4.388075      1.274174      4.642684
  C      -3.385941      0.486455      5.344792
  C      -2.202572      1.338857      5.749926
  N      -1.618763      1.993266      4.574854
  C      -0.831735      3.195518      4.881052
  C      -1.730466      4.282650      5.461910
  C      -0.876996      1.070767      3.702574
  C      -1.041950      1.522319      2.250979
  N      -2.430994      1.812551      2.032493
  H      -1.223577      5.260026      5.362577
  H      -1.881908      4.120940      6.545280
  H      -0.397640      3.547842      3.935036
  H       0.004506      2.968794      5.569559
  H      -0.654876      0.747500      1.567787
  H      -0.452302      2.431377      2.062717
  H      -1.314075      0.071112      3.809575
  H       0.184621      1.009620      3.999799
  H      -3.808750      0.054906      6.265942
  H      -3.045061     -0.375207      4.735071
  H      -2.546330      2.117507      6.443250
  H      -1.452269      0.721281      6.284587
  C     -10.263838      0.442910      7.209422
  C      -9.183141      1.378995      7.734038
  O      -9.415865      2.563286      8.019664
  N      -7.940852      0.784505      7.855184
  C      -6.736910      1.344193      8.326942
  C      -5.636485      0.481326      8.418596
  C      -4.409081      0.962417      8.856921
  C      -4.273787      2.311214      9.214000
  F      -3.044782      2.755819      9.576093
  C      -5.345666      3.204321      9.132256
  C      -5.197400      4.667790      9.452811
  O      -4.502997      5.070011     10.382932
  C      -5.916123      5.663623      8.516232
  C      -5.676360      5.290779      7.075915
  C      -6.732654      4.902800      6.232845
  C      -6.436362      4.294634      5.016540
  N      -5.174965      4.092327      4.623266
  C      -4.138832      4.575475      5.372413
  C      -4.362015      5.177679      6.623924
  C      -6.577170      2.702224      8.682417
  C      -2.582575     -2.410138      8.695754
  C      -2.904690     -2.737096      7.226415
  O      -4.028826     -2.855369      6.824400
  N      -1.802975     -2.864029      6.401716
  C      -1.735288     -3.130668      5.003087
  C      -0.473911     -3.333777      4.445822
  C      -0.341512     -3.578937      3.082329
  C      -1.467579     -3.599771      2.270695
  F      -1.295381     -3.874008      0.956528
  C      -2.736851     -3.389952      2.780764
  C      -4.012230     -3.345372      1.987777
  O      -5.045018     -3.678654      2.513891
  C      -4.012821     -2.708542      0.601303
  C      -4.179220     -1.226094      0.846776
  C      -5.465720     -0.675151      0.934447
  C      -5.605681      0.610043      1.423040
  N      -4.565923      1.346907      1.789257
  C      -3.298375      0.873254      1.599113
  C      -3.077242     -0.438037      1.139601
  C      -2.852487     -3.175415      4.164681
  C      -6.202307     -6.435474     12.748875
  C      -6.323512     -6.807350     11.284941
  O      -6.183068     -7.954803     10.866951
  N      -6.603254     -5.735646     10.477258
  C      -6.788803     -5.701451      9.088493
  C      -6.753683     -6.848851      8.268226
  C      -6.953078     -6.721215      6.899489
  C      -7.177423     -5.473088      6.343277
  F      -7.390430     -5.419600      5.005300
  C      -7.215510     -4.308188      7.127217
  C      -7.426165     -2.913381      6.626649
  O      -7.659856     -2.002327      7.454163
  C      -7.336265     -2.639021      5.136449
  C      -7.134273     -1.192033      4.798568
  C      -8.157949     -0.395675      4.277664
  C      -7.839710      0.917992      3.940044
  N      -6.629384      1.464139      4.059132
  C      -5.624912      0.705871      4.575427
  C      -5.877365     -0.636085      4.965634
  C      -7.021424     -4.460646      8.506502
  H     -10.065964      0.205959      6.151710
  H     -10.264416     -0.506920      7.765878
  H     -11.254972      0.929885      7.289126
  H      -7.879779     -0.206087      7.571393
  H      -5.752770     -0.567298      8.125444
  H      -3.547675      0.309975      8.911218
  H      -5.520602      6.662517      8.766794
  H      -6.997419      5.661910      8.739742
  H      -7.769886      4.991391      6.555897
  H      -7.214624      3.891328      4.369507
  H      -3.524603      5.473900      7.257414
  H      -7.433957      3.357453      8.605781
  H      -2.078812     -1.426015      8.778431
  H      -3.517102     -2.385707      9.284310
  H      -1.914665     -3.157672      9.122757
  H      -0.908190     -2.777071      6.875799
  H       0.408208     -3.307145      5.087084
  H       0.624620     -3.762328      2.646580
  H      -3.083344     -2.913602      0.064134
  H      -4.864900     -3.110774      0.047718
  H      -6.344897     -1.264833      0.686740
  H      -6.587874      1.059327      1.573734
  H      -2.070091     -0.850291      1.081475
  H      -3.835801     -3.024774      4.571354
  H      -5.988367     -7.338139     13.320351
  H      -5.395329     -5.708885     12.904036
  H      -7.133779     -5.983380     13.119008
  H      -6.690731     -4.835666     10.944730
  H      -6.573186     -7.820020      8.712565
  H      -6.941087     -7.597497      6.248503
  H      -8.265051     -3.030553      4.682023
  H      -6.528115     -3.249289      4.701189
  H      -9.160467     -0.791796      4.118721
  H      -8.613020      1.573085      3.525463
  H      -5.082498     -1.267186      5.350130
  H      -7.053522     -3.553282      9.116867
  N      -4.296287      4.191912      1.965557
  H      -4.820490      5.037574      2.190785
  H      -4.429494      3.943511      0.994284
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.947074752600
  N      -2.972173      4.237016      4.777790
  Mo     -3.754343      2.870882      3.344335
  N      -4.387858      1.273219      4.667906
  C      -3.391299      0.481389      5.382262
  C      -2.207901      1.332496      5.794790
  N      -1.612537      1.978902      4.621933
  C      -0.823606      3.177102      4.927793
  C      -1.721928      4.272183      5.495643
  C      -0.867641      1.050102      3.761414
  C      -1.018879      1.497172      2.305242
  N      -2.408480      1.791879      2.071718
  H      -1.205980      5.245326      5.392441
  H      -1.883153      4.117652      6.579988
  H      -0.379248      3.522404      3.982609
  H       0.006163      2.950529      5.625930
  H      -0.628275      0.720491      1.626778
  H      -0.424462      2.406648      2.118967
  H      -1.310283      0.050575      3.869276
  H       0.195211      0.986169      4.068183
  H      -3.823984      0.055397      6.304553
  H      -3.049624     -0.382741      4.775886
  H      -2.556497      2.114317      6.482018
  H      -1.462505      0.714840      6.338548
  C     -10.293074      0.578262      7.143800
  C      -9.230010      1.488035      7.689696
  O      -9.441741      2.652040      7.989260
  N      -8.007162      0.884378      7.817114
  C      -6.809141      1.431838      8.301008
  C      -5.716854      0.558064      8.423097
  C      -4.491614      1.018950      8.882223
  C      -4.350405      2.351347      9.232030
  F      -3.113898      2.778633      9.625879
  C      -5.414324      3.255047      9.123114
  C      -5.250054      4.714401      9.450651
  O      -4.544135      5.123712     10.406829
  C      -5.943598      5.704764      8.501375
  C      -5.681124      5.318083      7.067690
  C      -6.728629      4.930684      6.213331
  C      -6.420694      4.314126      5.005475
  N      -5.161868      4.103742      4.626823
  C      -4.130175      4.582081      5.383714
  C      -4.360873      5.191897      6.631447
  C      -6.646944      2.774897      8.648609
  C      -2.559542     -2.406160      8.590006
  C      -2.904252     -2.756650      7.153172
  O      -4.088610     -2.898671      6.743936
  N      -1.775969     -2.889755      6.323258
  C      -1.721032     -3.165816      4.954905
  C      -0.450298     -3.359701      4.369338
  C      -0.326336     -3.605800      3.022698
  C      -1.467327     -3.635028      2.249468
  F      -1.296984     -3.901119      0.934247
  C      -2.744122     -3.434494      2.784224
  C      -4.020938     -3.387220      1.994166
  O      -5.074492     -3.716278      2.523517
  C      -4.005356     -2.744121      0.604704
  C      -4.174453     -1.261022      0.864191
  C      -5.470065     -0.702478      0.937670
  C      -5.607493      0.595843      1.427574
  N      -4.551918      1.334019      1.806687
  C      -3.279960      0.853989      1.632380
  C      -3.061151     -0.469572      1.174960
  C      -2.854871     -3.220245      4.158346
  C      -6.071287     -6.515347     12.754466
  C      -6.236105     -6.865384     11.279055
  O      -6.093514     -8.009902     10.847979
  N      -6.553507     -5.778943     10.476512
  C      -6.771261     -5.732558      9.089060
  C      -6.740309     -6.872418      8.270653
  C      -6.960661     -6.737799      6.911128
  C      -7.197700     -5.484174      6.361561
  F      -7.423316     -5.425653      5.033991
  C      -7.229623     -4.324270      7.142704
  C      -7.439254     -2.929489      6.650213
  O      -7.658011     -2.034767      7.458603
  C      -7.357436     -2.648704      5.165357
  C      -7.147914     -1.197708      4.826875
  C      -8.175783     -0.393096      4.308973
  C      -7.853662      0.921626      3.969143
  N      -6.637794      1.462614      4.084020
  C      -5.627422      0.701622      4.597712
  C      -5.882333     -0.644042      4.989095
  C      -7.022320     -4.484159      8.511897
  H     -10.095519      0.356199      6.106268
  H     -10.322848     -0.370535      7.682216
  H     -11.241434      1.084369      7.226895
  H      -7.937406     -0.113608      7.533221
  H      -5.836259     -0.486047      8.140245
  H      -3.633435      0.351957      8.958678
  H      -5.546816      6.696303      8.750918
  H      -7.024684      5.711235      8.705685
  H      -7.768589      5.027843      6.522490
  H      -7.190372      3.911668      4.348198
  H      -3.528868      5.485596      7.271788
  H      -7.498306      3.443055      8.548149
  H      -2.065883     -1.439576      8.638885
  H      -3.477355     -2.359598      9.161465
  H      -1.884676     -3.141876      9.037740
  H      -0.863936     -2.791869      6.761112
  H       0.449186     -3.320601      4.979261
  H       0.654282     -3.776702      2.555184
  H      -3.072264     -2.946384      0.069760
  H      -4.853843     -3.145895      0.037529
  H      -6.351982     -1.289594      0.676429
  H      -6.589971      1.050056      1.560804
  H      -2.051961     -0.884008      1.125983
  H      -3.849472     -3.073593      4.590422
  H      -5.827517     -7.431480     13.316076
  H      -5.257018     -5.778822     12.893576
  H      -7.003459     -6.076024     13.161051
  H      -6.637652     -4.884086     10.950188
  H      -6.543806     -7.848557      8.711295
  H      -6.951487     -7.609976      6.260034
  H      -8.287287     -3.033652      4.711393
  H      -6.551918     -3.259132      4.731552
  H      -9.184158     -0.783016      4.154112
  H      -8.629212      1.581555      3.559393
  H      -5.083541     -1.280138      5.371905
  H      -7.049049     -3.580030      9.123195
  N      -4.263823      4.168276      1.982304
  H      -4.788726      5.017575      2.194855
  H      -4.387305      3.905702      1.015725
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.948681871070
  N      -2.972030      4.223104      4.778067
  Mo     -3.759274      2.870705      3.338750
  N      -4.397554      1.263486      4.654163
  C      -3.403678      0.465855      5.362208
  C      -2.216485      1.311832      5.776265
  N      -1.621397      1.962160      4.607654
  C      -0.828463      3.157149      4.920371
  C      -1.721201      4.251418      5.494833
  C      -0.880671      1.035630      3.741647
  C      -1.029045      1.494735      2.289106
  N      -2.417112      1.797658      2.057575
  H      -1.202980      5.223140      5.398400
  H      -1.881771      4.090643      6.577330
  H      -0.383651      3.505182      3.977021
  H       0.001003      2.924942      5.617157
  H      -0.642102      0.720726      1.606121
  H      -0.429373      2.402767      2.108828
  H      -1.327011      0.035557      3.842625
  H       0.181945      0.964868      4.048149
  H      -3.835880      0.037464      6.282286
  H      -3.066207     -0.399106      4.753673
  H      -2.560125      2.092032      6.467841
  H      -1.473211      0.688681      6.315337
  C     -10.342576      0.668092      7.107661
  C      -9.253333      1.557443      7.700880
  O      -9.460631      2.717748      8.017705
  N      -8.038898      0.936895      7.817883
  C      -6.831763      1.445857      8.304370
  C      -5.739336      0.561423      8.413377
  C      -4.502653      1.010028      8.869809
  C      -4.350959      2.334647      9.222683
  F      -3.114045      2.750198      9.600635
  C      -5.410257      3.243123      9.126308
  C      -5.228432      4.685859      9.451545
  O      -4.531666      5.042330     10.373416
  C      -5.919750      5.689520      8.522422
  C      -5.673361      5.305224      7.083909
  C      -6.725475      4.924848      6.231143
  C      -6.422048      4.310735      5.017760
  N      -5.163209      4.097028      4.631813
  C      -4.128623      4.568129      5.388427
  C      -4.355957      5.174520      6.639832
  C      -6.652152      2.777645      8.661268
  C      -2.500375     -2.396693      8.626311
  C      -2.861584     -2.735425      7.188129
  O      -4.042396     -2.867156      6.796855
  N      -1.781686     -2.876140      6.383758
  C      -1.737268     -3.154872      5.012765
  C      -0.467805     -3.362336      4.461286
  C      -0.325175     -3.604791      3.090148
  C      -1.456721     -3.623947      2.260830
  F      -1.265883     -3.888369      0.924271
  C      -2.744320     -3.418536      2.773527
  C      -4.020796     -3.374406      1.961689
  O      -5.095004     -3.720977      2.484871
  C      -4.006707     -2.729932      0.569597
  C      -4.179832     -1.246281      0.826378
  C      -5.472751     -0.690611      0.903961
  C      -5.610686      0.605383      1.403256
  N      -4.557808      1.344257      1.790414
  C      -3.289619      0.864845      1.610014
  C      -3.072760     -0.454362      1.140279
  C      -2.866681     -3.204236      4.166666
  C      -6.067050     -6.529983     12.764212
  C      -6.204468     -6.886944     11.300126
  O      -6.057984     -8.031262     10.882117
  N      -6.513070     -5.804349     10.492577
  C      -6.726376     -5.756179      9.102343
  C      -6.691761     -6.894356      8.279312
  C      -6.923625     -6.753846      6.909322
  C      -7.176583     -5.498884      6.353812
  F      -7.420308     -5.434909      5.016480
  C      -7.211760     -4.341398      7.139302
  C      -7.439179     -2.948047      6.640452
  O      -7.665078     -2.067891      7.455345
  C      -7.366065     -2.654057      5.158302
  C      -7.164376     -1.201112      4.819044
  C      -8.192393     -0.395833      4.304380
  C      -7.867822      0.919184      3.964750
  N      -6.651235      1.459132      4.075834
  C      -5.640363      0.697136      4.585675
  C      -5.898822     -0.647636      4.977310
  C      -6.989094     -4.506837      8.520704
  H     -10.116768      0.470970      6.025100
  H     -10.395687     -0.303628      7.632924
  H     -11.311514      1.172432      7.197460
  H      -7.998799     -0.030065      7.520003
  H      -5.867776     -0.477174      8.120349
  H      -3.645914      0.334287      8.936234
  H      -5.513247      6.676070      8.772514
  H      -6.998424      5.704309      8.738556
  H      -7.764912      5.024868      6.544503
  H      -7.196751      3.914024      4.362505
  H      -3.519561      5.463709      7.278805
  H      -7.498242      3.453630      8.569271
  H      -2.003591     -1.398073      8.686255
  H      -3.433249     -2.370753      9.223283
  H      -1.805946     -3.144369      9.053718
  H      -0.876767     -2.786919      6.840983
  H       0.420530     -3.333031      5.110084
  H       0.654363     -3.785233      2.651365
  H      -3.069079     -2.928192      0.037340
  H      -4.858137     -3.133599      0.001631
  H      -6.352441     -1.277692      0.642083
  H      -6.591182      1.055680      1.543092
  H      -2.065441     -0.866920      1.089469
  H      -3.858910     -3.052212      4.572669
  H      -5.838530     -7.441437     13.329380
  H      -5.262385     -5.797991     12.915891
  H      -6.995694     -6.088213     13.147261
  H      -6.604873     -4.909587     10.961957
  H      -6.488553     -7.871270      8.720535
  H      -6.914157     -7.623564      6.257058
  H      -8.292822     -3.042250      4.710840
  H      -6.561606     -3.255175      4.719056
  H      -9.201500     -0.785140      4.151229
  H      -8.643238      1.580272      3.555763
  H      -5.102109     -1.283566      5.357248
  H      -7.021486     -3.605910      9.131028
  N      -4.261546      4.192069      1.979128
  H      -4.781124      5.041202      2.202494
  H      -4.396618      3.941866      0.979873
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.947870331138
  N      -2.983947      4.240320      4.765230
  Mo     -3.765084      2.876118      3.335776
  N      -4.395621      1.275099      4.657324
  C      -3.398342      0.484961      5.365900
  C      -2.213999      1.335721      5.775081
  N      -1.622435      1.986633      4.600378
  C      -0.833872      3.185944      4.907562
  C      -1.732240      4.278922      5.480446
  C      -0.877737      1.059077      3.736156
  C      -1.031987      1.509202      2.281091
  N      -2.422014      1.803663      2.054371
  H      -1.220158      5.254147      5.379494
  H      -1.890610      4.120965      6.564073
  H      -0.393048      3.534735      3.962773
  H      -0.002657      2.956778      5.601237
  H      -0.642157      0.731420      1.602437
  H      -0.437312      2.418459      2.093570
  H      -1.319735      0.060365      3.844569
  H       0.184803      0.994247      4.039518
  H      -3.828301      0.056223      6.287001
  H      -3.057268     -0.378922      4.758768
  H      -2.561017      2.116134      6.465096
  H      -1.467511      0.716381      6.315024
  C     -10.247699      0.491735      7.202936
  C      -9.187797      1.439676      7.719667
  O      -9.443782      2.641458      8.010681
  N      -7.954791      0.836777      7.837158
  C      -6.764264      1.384829      8.307664
  C      -5.661012      0.513506      8.412482
  C      -4.437089      0.999360      8.863997
  C      -4.308492      2.349345      9.215150
  F      -3.082950      2.792472      9.589338
  C      -5.380045      3.244732      9.119934
  C      -5.221789      4.698898      9.440701
  O      -4.539101      5.070419     10.353185
  C      -5.927808      5.695703      8.507602
  C      -5.683885      5.313903      7.071059
  C      -6.735999      4.928808      6.222967
  C      -6.433778      4.313669      5.010837
  N      -5.171445      4.103217      4.622838
  C      -4.139603      4.582690      5.376306
  C      -4.369177      5.189998      6.625968
  C      -6.608429      2.744435      8.661005
  C      -2.529201     -2.414393      8.618469
  C      -2.882620     -2.739657      7.197037
  O      -4.014327     -2.849293      6.837569
  N      -1.791113     -2.867877      6.363839
  C      -1.725243     -3.135201      4.973795
  C      -0.443510     -3.329573      4.398478
  C      -0.306673     -3.578464      3.035617
  C      -1.446380     -3.608986      2.237324
  F      -1.270211     -3.885680      0.922572
  C      -2.734299     -3.405606      2.764513
  C      -4.017488     -3.365382      1.981901
  O      -5.062715     -3.701610      2.511941
  C      -4.016290     -2.720903      0.599434
  C      -4.179229     -1.235619      0.857040
  C      -5.467938     -0.678268      0.941580
  C      -5.604823      0.610539      1.431881
  N      -4.558257      1.345537      1.803899
  C      -3.290868      0.866020      1.618110
  C      -3.073053     -0.449621      1.157156
  C      -2.853354     -3.189267      4.148247
  C      -6.192460     -6.451246     12.761269
  C      -6.322580     -6.837062     11.300633
  O      -6.194235     -7.989088     10.891576
  N      -6.594550     -5.768859     10.488436
  C      -6.786898     -5.737458      9.096557
  C      -6.767560     -6.886143      8.267632
  C      -6.974066     -6.755984      6.894050
  C      -7.190819     -5.505756      6.340996
  F      -7.412743     -5.451048      4.999500
  C      -7.214535     -4.340132      7.133134
  C      -7.420306     -2.944631      6.641533
  O      -7.644966     -2.050420      7.473052
  C      -7.338855     -2.656214      5.152437
  C      -7.140171     -1.203896      4.815735
  C      -8.167883     -0.406385      4.298692
  C      -7.851884      0.909848      3.960710
  N      -6.641893      1.458306      4.076066
  C      -5.633421      0.703873      4.589393
  C      -5.883961     -0.641903      4.979911
  C      -7.011855     -4.494895      8.517225
  H     -10.045743      0.254377      6.158877
  H     -10.238338     -0.465652      7.746669
  H     -11.241708      0.980039      7.286996
  H      -7.894734     -0.149525      7.556190
  H      -5.768048     -0.543334      8.124109
  H      -3.567360      0.345268      8.935947
  H      -5.527371      6.690852      8.757922
  H      -7.008201      5.701199      8.726109
  H      -7.774270      5.024861      6.538885
  H      -7.210146      3.913730      4.362221
  H      -3.534836      5.483434      7.263072
  H      -7.463384      3.404144      8.575607
  H      -2.027899     -1.448180      8.668592
  H      -3.442677     -2.373389      9.204029
  H      -1.854751     -3.165454      9.051639
  H      -0.887415     -2.777787      6.818410
  H       0.446811     -3.294881      5.026804
  H       0.670144     -3.755661      2.587780
  H      -3.087111     -2.928846      0.061090
  H      -4.871946     -3.117217      0.039943
  H      -6.350901     -1.264893      0.687973
  H      -6.586762      1.063458      1.578377
  H      -2.065284     -0.864554      1.100800
  H      -3.845892     -3.044850      4.566936
  H      -5.987988     -7.347972     13.338106
  H      -5.375718     -5.731519     12.910507
  H      -7.116016     -5.988837     13.129831
  H      -6.671491     -4.865893     10.955804
  H      -6.594082     -7.858379      8.706684
  H      -6.974028     -7.632130      6.238681
  H      -8.270303     -3.046005      4.700232
  H      -6.530477     -3.262053      4.710263
  H      -9.170327     -0.803310      4.142515
  H      -8.627722      1.564954      3.549797
  H      -5.085347     -1.270401      5.363369
  H      -7.031818     -3.587078      9.130892
  N      -4.280637      4.182254      1.972286
  H      -4.802716      5.031211      2.191510
  H      -4.407438      3.920885      0.994851
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.949733584714
  N      -2.974083      4.222541      4.784051
  Mo     -3.762495      2.866662      3.343956
  N      -4.389783      1.263893      4.654677
  C      -3.394588      0.468481      5.361851
  C      -2.209919      1.315146      5.777283
  N      -1.619540      1.968809      4.607307
  C      -0.827669      3.165173      4.917557
  C      -1.722253      4.255861      5.496247
  C      -0.879305      1.046745      3.737153
  C      -1.034907      1.503064      2.285668
  N      -2.421692      1.798461      2.057534
  H      -1.208059      5.229209      5.398030
  H      -1.877569      4.095181      6.579570
  H      -0.388092      3.516792      3.973405
  H       0.005548      2.934351      5.609665
  H      -0.648215      0.732321      1.600616
  H      -0.441502      2.410486      2.105548
  H      -1.321814      0.048708      3.837788
  H       0.181228      0.980834      4.041397
  H      -3.825367      0.037495      6.280405
  H      -3.055045     -0.392492      4.750578
  H      -2.553086      2.092189      6.471598
  H      -1.463732      0.694203      6.313668
  C     -10.292821      0.539864      7.122078
  C      -9.214259      1.441290      7.696734
  O      -9.432455      2.618190      8.022999
  N      -7.982158      0.836321      7.817185
  C      -6.778598      1.379580      8.312790
  C      -5.684451      0.502773      8.427940
  C      -4.458523      0.956242      8.890618
  C      -4.315416      2.291419      9.253636
  F      -3.081658      2.712401      9.648862
  C      -5.381181      3.200028      9.149552
  C      -5.225660      4.658066      9.481009
  O      -4.526211      5.067366     10.435676
  C      -5.927672      5.654164      8.535889
  C      -5.673012      5.279765      7.097710
  C      -6.726155      4.898332      6.247158
  C      -6.426536      4.293080      5.030345
  N      -5.166488      4.089271      4.641927
  C      -4.129495      4.563137      5.398575
  C      -4.354569      5.161116      6.652908
  C      -6.613802      2.724672      8.672047
  C      -2.610912     -2.450483      8.616030
  C      -2.952674     -2.794470      7.177789
  O      -4.111876     -2.948498      6.777381
  N      -1.837436     -2.908043      6.360012
  C      -1.772496     -3.173591      4.978066
  C      -0.504657     -3.357027      4.412559
  C      -0.364104     -3.580836      3.050010
  C      -1.485379     -3.600979      2.246483
  F      -1.296316     -3.841660      0.917920
  C      -2.760636     -3.413980      2.763915
  C      -4.022718     -3.362516      1.958460
  O      -5.059378     -3.704827      2.472018
  C      -4.002693     -2.703520      0.573863
  C      -4.167042     -1.226546      0.835783
  C      -5.449914     -0.677184      0.911633
  C      -5.589988      0.603763      1.406558
  N      -4.552760      1.335478      1.789830
  C      -3.289396      0.865303      1.611673
  C      -3.067914     -0.441851      1.147672
  C      -2.887646     -3.221100      4.150712
  C      -6.095734     -6.387714     12.775008
  C      -6.205248     -6.761319     11.310761
  O      -5.997429     -7.905364     10.901527
  N      -6.555826     -5.696825     10.491668
  C      -6.750061     -5.671157      9.102468
  C      -6.661125     -6.820724      8.295001
  C      -6.868455     -6.704853      6.927945
  C      -7.144776     -5.462797      6.362750
  F      -7.354221     -5.419798      5.028150
  C      -7.228388     -4.294441      7.135979
  C      -7.468012     -2.905948      6.627335
  O      -7.727768     -1.994286      7.436567
  C      -7.355350     -2.642169      5.136900
  C      -7.146545     -1.195114      4.796653
  C      -8.165912     -0.393237      4.267847
  C      -7.840211      0.920716      3.930514
  N      -6.627736      1.461508      4.056507
  C      -5.627698      0.697869      4.578172
  C      -5.886478     -0.643827      4.969698
  C      -7.038626     -4.436361      8.510516
  H     -10.092795      0.345081      6.053584
  H     -10.336297     -0.419416      7.648552
  H     -11.239518      1.042680      7.219406
  H      -7.918545     -0.158119      7.516918
  H      -5.807485     -0.536027      8.133778
  H      -3.604263      0.290260      8.957938
  H      -5.532947      6.649983      8.789452
  H      -7.009203      5.656275      8.747586
  H      -7.764860      4.990331      6.564509
  H      -7.202497      3.893603      4.375478
  H      -3.518490      5.451395      7.291784
  H      -7.466880      3.394693      8.574903
  H      -2.137506     -1.457439      8.674194
  H      -3.535808     -2.437110      9.200611
  H      -1.906846     -3.188499      9.045336
  H      -0.934024     -2.804341      6.819871
  H       0.378902     -3.324786      5.046056
  H       0.613788     -3.740706      2.598600
  H      -3.068591     -2.900648      0.041295
  H      -4.850315     -3.097777      0.002868
  H      -6.323367     -1.262506      0.647923
  H      -6.567593      1.051397      1.541075
  H      -2.064665     -0.851855      1.095911
  H      -3.877647     -3.084664      4.564620
  H      -5.822989     -7.287095     13.354554
  H      -5.323814     -5.608764     12.921650
  H      -7.056378     -5.988636     13.146117
  H      -6.691122     -4.798620     10.951377
  H      -6.433306     -7.786739      8.749071
  H      -6.816972     -7.584320      6.285225
  H      -8.276648     -3.035937      4.665721
  H      -6.537967     -3.256313      4.720306
  H      -9.170567     -0.783878      4.104916
  H      -8.610013      1.580469      3.513268
  H      -5.094243     -1.279310      5.361986
  H      -7.108987     -3.526303      9.112955
  N      -4.281010      4.179620      1.991391
  H      -4.803836      5.024970      2.212441
  H      -4.418451      3.928956      1.018850
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.948469195577
  N      -2.974888      4.240599      4.752130
  Mo     -3.759799      2.867903      3.329342
  N      -4.396390      1.273657      4.660810
  C      -3.399497      0.486457      5.379034
  C      -2.215117      1.339964      5.784429
  N      -1.621365      1.979335      4.607366
  C      -0.829725      3.179218      4.906207
  C      -1.724647      4.280126      5.468646
  C      -0.877313      1.043221      3.751360
  C      -1.023319      1.485163      2.294181
  N      -2.412035      1.784516      2.060495
  H      -1.209572      5.252069      5.360828
  H      -1.885475      4.131956      6.553534
  H      -0.386275      3.516952      3.957928
  H      -0.000212      2.954742      5.605424
  H      -0.632968      0.702282      1.620334
  H      -0.425123      2.392370      2.103693
  H      -1.321759      0.045358      3.862778
  H       0.184622      0.976336      4.058521
  H      -3.830427      0.068277      6.306268
  H      -3.058472     -0.385476      4.781001
  H      -2.562343      2.126555      6.468523
  H      -1.469966      0.723437      6.330034
  C     -10.299752      0.641017      7.166047
  C      -9.221012      1.543354      7.722070
  O      -9.426620      2.698895      8.007118
  N      -8.007617      0.928623      7.843339
  C      -6.810106      1.456624      8.317227
  C      -5.715457      0.579452      8.439940
  C      -4.488506      1.049569      8.888282
  C      -4.350099      2.384453      9.220982
  F      -3.119378      2.814666      9.592167
  C      -5.411641      3.286481      9.111823
  C      -5.237937      4.743808      9.422947
  O      -4.531790      5.130065     10.355934
  C      -5.932136      5.734426      8.476618
  C      -5.678901      5.338012      7.043504
  C      -6.729186      4.943048      6.194154
  C      -6.422717      4.317324      4.989785
  N      -5.164262      4.106148      4.606772
  C      -4.131949      4.589192      5.358410
  C      -4.360513      5.208708      6.603014
  C      -6.643422      2.801402      8.652378
  C      -2.549369     -2.373794      8.634627
  C      -2.878251     -2.710589      7.172643
  O      -4.051134     -2.842156      6.742868
  N      -1.769578     -2.850237      6.367157
  C      -1.710372     -3.134446      5.000225
  C      -0.432430     -3.336374      4.444067
  C      -0.296176     -3.593822      3.095043
  C      -1.436486     -3.630615      2.291367
  F      -1.257406     -3.914254      0.980925
  C      -2.725876     -3.426485      2.803113
  C      -4.011431     -3.401961      2.001087
  O      -5.078600     -3.749835      2.524202
  C      -4.004669     -2.769377      0.612533
  C      -4.175013     -1.280506      0.860767
  C      -5.476271     -0.722898      0.942323
  C      -5.616506      0.579680      1.429505
  N      -4.557671      1.323713      1.803290
  C      -3.282806      0.844583      1.621857
  C      -3.060688     -0.482530      1.161743
  C      -2.843461     -3.197490      4.174487
  C      -6.064777     -6.619792     12.705344
  C      -6.236682     -6.953607     11.234663
  O      -6.157211     -8.093481     10.782317
  N      -6.502623     -5.856162     10.458047
  C      -6.736154     -5.789608      9.072614
  C      -6.758906     -6.916803      8.229759
  C      -7.010149     -6.760159      6.867558
  C      -7.231169     -5.499259      6.336866
  F      -7.504796     -5.419665      5.003400
  C      -7.217093     -4.352212      7.140254
  C      -7.427101     -2.954455      6.662934
  O      -7.630085     -2.083763      7.480020
  C      -7.369368     -2.650868      5.182381
  C      -7.160079     -1.196999      4.845477
  C      -8.190791     -0.389665      4.337762
  C      -7.868609      0.924259      3.992567
  N      -6.651106      1.462951      4.093709
  C      -5.637929      0.703183      4.600836
  C      -5.893249     -0.643130      4.997359
  C      -6.967116     -4.532980      8.515752
  H     -10.091495      0.419002      6.110254
  H     -10.328933     -0.314505      7.706535
  H     -11.274333      1.144365      7.246680
  H      -7.957780     -0.052213      7.567977
  H      -5.829901     -0.472141      8.163868
  H      -3.618704      0.386382      8.969145
  H      -5.530399      6.726900      8.718255
  H      -7.013739      5.744462      8.687076
  H      -7.769095      5.041216      6.505135
  H      -7.194995      3.909412      4.338485
  H      -3.526182      5.507918      7.239256
  H      -7.492798      3.469807      8.552809
  H      -2.044159     -1.390397      8.711202
  H      -3.484723     -2.340746      9.216917
  H      -1.886429     -3.114446      9.072330
  H      -0.869030     -2.757032      6.828970
  H       0.461691     -3.295452      5.079915
  H       0.687275     -3.773707      2.653148
  H      -3.071622     -2.980096      0.076939
  H      -4.858579     -3.172788      0.055673
  H      -6.358900     -1.314438      0.691031
  H      -6.601610      1.032143      1.571449
  H      -2.048902     -0.894699      1.109897
  H      -3.844735     -3.051283      4.588116
  H      -5.882118     -7.541049     13.242542
  H      -5.226459     -5.939597     12.864544
  H      -6.959469     -6.132733     13.112064
  H      -6.548633     -4.967749     10.947616
  H      -6.583876     -7.899457      8.650191
  H      -7.044580     -7.622087      6.199373
  H      -8.306936     -3.027138      4.743556
  H      -6.574875     -3.257424      4.732642
  H      -9.200718     -0.778199      4.190179
  H      -8.645565      1.585122      3.587118
  H      -5.092759     -1.277075      5.374038
  H      -6.959085     -3.638626      9.141427
  N      -4.266522      4.171424      1.956310
  H      -4.786463      5.022933      2.171436
  H      -4.397965      3.918012      0.990665
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.948030171136
  N      -2.970615      4.227075      4.795146
  Mo     -3.753501      2.877120      3.352659
  N      -4.391641      1.267865      4.663373
  C      -3.397604      0.468771      5.370415
  C      -2.210347      1.313862      5.786086
  N      -1.613973      1.970370      4.617633
  C      -0.822790      3.163996      4.935803
  C      -1.718860      4.254042      5.513783
  C      -0.870346      1.046804      3.749130
  C      -1.016241      1.513537      2.295472
  N      -2.407207      1.814826      2.063351
  H      -1.199946      5.228654      5.421214
  H      -1.880262      4.088326      6.596105
  H      -0.375613      3.517014      3.995593
  H       0.005637      2.927685      5.631315
  H      -0.626064      0.740493      1.611503
  H      -0.413793      2.424531      2.118356
  H      -1.320506      0.045560      3.848097
  H       0.193981      0.974036      4.059467
  H      -3.831681      0.036402      6.287913
  H      -3.058745     -0.391971      4.759034
  H      -2.555917      2.091399      6.479418
  H      -1.464707      0.691166      6.322620
  C     -10.289255      0.498146      7.149843
  C      -9.216583      1.428380      7.692966
  O      -9.441948      2.602391      7.990514
  N      -7.993736      0.827930      7.816972
  C      -6.794514      1.370410      8.304884
  C      -5.699508      0.505311      8.417972
  C      -4.468678      0.983364      8.883878
  C      -4.327737      2.323295      9.240483
  F      -3.095456      2.761570      9.629768
  C      -5.392861      3.214214      9.137753
  C      -5.228359      4.660803      9.462910
  O      -4.548727      5.024839     10.378154
  C      -5.920168      5.662509      8.539725
  C      -5.674462      5.289991      7.101107
  C      -6.724700      4.915945      6.246833
  C      -6.419233      4.311238      5.031098
  N      -5.157721      4.101317      4.645501
  C      -4.127262      4.568532      5.405257
  C      -4.358676      5.165765      6.658870
  C      -6.628701      2.718177      8.663533
  C      -2.543876     -2.446153      8.570009
  C      -2.903369     -2.783889      7.161424
  O      -4.063545     -2.921989      6.794237
  N      -1.809284     -2.895983      6.334186
  C      -1.748865     -3.156197      4.956975
  C      -0.474814     -3.341617      4.388582
  C      -0.328656     -3.571664      3.017759
  C      -1.459670     -3.595267      2.207208
  F      -1.270116     -3.847509      0.875470
  C      -2.745444     -3.406169      2.732466
  C      -4.021245     -3.365980      1.935720
  O      -5.084268     -3.724551      2.461816
  C      -4.014339     -2.711685      0.553033
  C      -4.180219     -1.225341      0.820727
  C      -5.477062     -0.661563      0.906138
  C      -5.612768      0.634265      1.414914
  N      -4.554462      1.366869      1.803021
  C      -3.280107      0.881048      1.613479
  C      -3.064018     -0.439411      1.135260
  C      -2.873039     -3.207101      4.126358
  C      -6.132056     -6.380529     12.821944
  C      -6.267843     -6.766484     11.356261
  O      -6.095435     -7.913757     10.968348
  N      -6.586725     -5.706145     10.515483
  C      -6.777672     -5.687622      9.122393
  C      -6.712769     -6.839150      8.331962
  C      -6.904881     -6.726555      6.962597
  C      -7.152121     -5.486400      6.375234
  F      -7.348227     -5.448697      5.043096
  C      -7.222374     -4.317234      7.125951
  C      -7.449640     -2.932630      6.596745
  O      -7.706377     -2.032322      7.402584
  C      -7.349012     -2.653982      5.118590
  C      -7.151805     -1.202263      4.786691
  C      -8.181085     -0.401634      4.261176
  C      -7.861435      0.915787      3.932929
  N      -6.645480      1.461147      4.064853
  C      -5.633728      0.701692      4.584566
  C      -5.890163     -0.644150      4.965821
  C      -7.036387     -4.454596      8.507365
  H     -10.077001      0.276526      6.092836
  H     -10.303808     -0.469941      7.694588
  H     -11.280742      0.986454      7.234739
  H      -7.944784     -0.149663      7.530754
  H      -5.818470     -0.540085      8.124127
  H      -3.609536      0.323578      8.959914
  H      -5.517763      6.644649      8.799682
  H      -6.996608      5.676084      8.754408
  H      -7.763608      5.012757      6.561017
  H      -7.190866      3.919512      4.376159
  H      -3.525690      5.450113      7.300422
  H      -7.479858      3.374337      8.571266
  H      -2.066391     -1.470611      8.611008
  H      -3.457287     -2.418222      9.149239
  H      -1.843144     -3.179062      9.007914
  H      -0.905105     -2.795416      6.777543
  H       0.410701     -3.310343      5.023568
  H       0.650518     -3.738570      2.569678
  H      -3.081370     -2.913140      0.016389
  H      -4.868538     -3.109009     -0.014757
  H      -6.365611     -1.245492      0.642402
  H      -6.598238      1.091042      1.563986
  H      -2.052585     -0.858182      1.078114
  H      -3.863722     -3.067238      4.541045
  H      -5.882642     -7.276015     13.418607
  H      -5.333407     -5.628761     12.948980
  H      -7.075052     -5.952426     13.201093
  H      -6.694786     -4.804799     10.961887
  H      -6.510950     -7.803274      8.800402
  H      -6.866373     -7.605949      6.336363
  H      -8.262649     -3.048762      4.659678
  H      -6.540877     -3.252849      4.694940
  H      -9.187564     -0.797135      4.093419
  H      -8.637453      1.574047      3.517278
  H      -5.093217     -1.279563      5.353106
  H      -7.088049     -3.543669      9.092887
  N      -4.253696      4.200442      2.000224
  H      -4.773247      5.053716      2.228872
  H      -4.395476      3.927325      0.984931
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.947819148870
  N      -2.977652      4.223154      4.774243
  Mo     -3.764246      2.864874      3.338274
  N      -4.400318      1.265552      4.653812
  C      -3.408567      0.470643      5.363125
  C      -2.221262      1.314531      5.776715
  N      -1.627763      1.964154      4.605575
  C      -0.833558      3.158773      4.915573
  C      -1.726732      4.254585      5.489639
  C      -0.887561      1.036863      3.740361
  C      -1.037665      1.491990      2.287541
  N      -2.423647      1.793240      2.056336
  H      -1.210079      5.226169      5.390314
  H      -1.885375      4.095813      6.572967
  H      -0.391065      3.507746      3.971833
  H      -0.003080      2.925380      5.609587
  H      -0.652319      0.717885      1.606274
  H      -0.440565      2.396524      2.106110
  H      -1.333844      0.040287      3.842298
  H       0.172197      0.966778      4.046834
  H      -3.841851      0.043886      6.282191
  H      -3.072322     -0.394217      4.755202
  H      -2.563560      2.094342      6.468587
  H      -1.477969      0.691036      6.315821
  C     -10.278839      0.574596      7.136128
  C      -9.215940      1.495956      7.689595
  O      -9.469423      2.699069      8.007899
  N      -7.977580      0.885567      7.808737
  C      -6.780938      1.417569      8.301699
  C      -5.681557      0.532494      8.415615
  C      -4.459082      0.985467      8.881661
  C      -4.320205      2.320947      9.241471
  F      -3.090630      2.742072      9.634662
  C      -5.387610      3.233670      9.136496
  C      -5.226527      4.685390      9.464712
  O      -4.537335      5.069098     10.402968
  C      -5.929117      5.681680      8.519264
  C      -5.677676      5.299419      7.081816
  C      -6.729800      4.917460      6.230662
  C      -6.429114      4.305379      5.015467
  N      -5.168520      4.095514      4.628056
  C      -4.132745      4.569253      5.385395
  C      -4.360509      5.173333      6.637677
  C      -6.617033      2.762116      8.662707
  C      -2.560214     -2.439042      8.636605
  C      -2.918534     -2.769978      7.203092
  O      -4.065381     -2.902167      6.836174
  N      -1.830496     -2.890073      6.379727
  C      -1.768933     -3.155088      4.988115
  C      -0.494048     -3.342962      4.424439
  C      -0.347165     -3.572279      3.052397
  C      -1.471782     -3.593917      2.234271
  F      -1.277090     -3.844077      0.900795
  C      -2.757371     -3.403366      2.751759
  C      -4.024521     -3.358540      1.947973
  O      -5.064002     -3.709236      2.460507
  C      -4.010535     -2.696800      0.566456
  C      -4.172292     -1.220450      0.833716
  C      -5.449661     -0.671029      0.914590
  C      -5.585897      0.607795      1.412185
  N      -4.549705      1.337846      1.794315
  C      -3.293066      0.864386      1.611830
  C      -3.077498     -0.439544      1.144285
  C      -2.888271     -3.205373      4.147453
  C      -6.123324     -6.428718     12.767998
  C      -6.234615     -6.817243     11.305621
  O      -6.046553     -7.966996     10.898099
  N      -6.559127     -5.754755     10.491344
  C      -6.750047     -5.728270      9.099117
  C      -6.683975     -6.879108      8.267580
  C      -6.889631     -6.754489      6.894626
  C      -7.146383     -5.507171      6.346264
  F      -7.358341     -5.457634      5.005452
  C      -7.210393     -4.338794      7.144191
  C      -7.442649     -2.944505      6.658622
  O      -7.693003     -2.051694      7.497079
  C      -7.346332     -2.657233      5.160761
  C      -7.146490     -1.205297      4.819982
  C      -8.167233     -0.407506      4.299855
  C      -7.846468      0.907343      3.958631
  N      -6.639372      1.453953      4.071485
  C      -5.638191      0.697238      4.586040
  C      -5.892178     -0.645491      4.982954
  C      -7.016018     -4.489148      8.524887
  H     -10.079232      0.367562      6.079199
  H     -10.290945     -0.387766      7.656483
  H     -11.242052      1.072175      7.234330
  H      -7.915835     -0.102872      7.513313
  H      -5.797547     -0.510919      8.120159
  H      -3.603219      0.317052      8.955387
  H      -5.530707      6.681237      8.768762
  H      -7.011253      5.685910      8.732802
  H      -7.768309      5.014710      6.545290
  H      -7.206145      3.907169      4.360834
  H      -3.524725      5.463492      7.276997
  H      -7.468886      3.437506      8.568632
  H      -2.069994     -1.448820      8.693481
  H      -3.481228     -2.419461      9.234879
  H      -1.860440     -3.192992      9.058030
  H      -0.924578     -2.792482      6.840049
  H       0.388789     -3.311698      5.065358
  H       0.631444     -3.738016      2.609208
  H      -3.079135     -2.895892      0.030673
  H      -4.863651     -3.086693     -0.003032
  H      -6.323198     -1.254458      0.652320
  H      -6.560027      1.054474      1.552938
  H      -2.077278     -0.849978      1.089360
  H      -3.877846     -3.067542      4.556223
  H      -5.871317     -7.323554     13.348602
  H      -5.336364     -5.663861     12.917323
  H      -7.074645     -6.009426     13.134395
  H      -6.677737     -4.852021     10.959222
  H      -6.475301     -7.849055      8.705625
  H      -6.854637     -7.632958      6.236179
  H      -8.278185     -3.050329      4.694698
  H      -6.525214     -3.266896      4.724022
  H      -9.168572     -0.801007      4.144852
  H      -8.618641      1.562908      3.546713
  H      -5.098317     -1.273977      5.369974
  H      -7.069417     -3.579753      9.142857
  N      -4.273397      4.175133      1.981419
  H      -4.789184      5.024253      2.198988
  H      -4.405653      3.924917      1.013875
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.950029133185
  N      -2.973176      4.230429      4.772524
  Mo     -3.759046      2.861441      3.345879
  N      -4.390882      1.266827      4.669689
  C      -3.393909      0.477402      5.384073
  C      -2.208399      1.328251      5.789890
  N      -1.618053      1.973457      4.613651
  C      -0.826836      3.172247      4.917852
  C      -1.722299      4.267911      5.487634
  C      -0.877515      1.043434      3.749536
  C      -1.027761      1.492251      2.294781
  N      -2.415389      1.790710      2.063115
  H      -1.207809      5.240640      5.384567
  H      -1.880441      4.114011      6.571305
  H      -0.383151      3.516083      3.972539
  H       0.003602      2.944335      5.614463
  H      -0.639265      0.713840      1.616775
  H      -0.430924      2.398448      2.108725
  H      -1.322670      0.046658      3.855617
  H       0.183037      0.975403      4.055548
  H      -3.822944      0.055511      6.309358
  H      -3.054117     -0.390158      4.780715
  H      -2.553769      2.111907      6.477449
  H      -1.461127      0.711928      6.330709
  C     -10.294576      0.545354      7.126704
  C      -9.206986      1.452075      7.706417
  O      -9.418413      2.620755      8.015469
  N      -7.982635      0.846784      7.828635
  C      -6.785365      1.388658      8.317706
  C      -5.689039      0.518293      8.439390
  C      -4.465280      0.991144      8.900168
  C      -4.329740      2.329850      9.246137
  F      -3.101246      2.762062      9.629540
  C      -5.396229      3.228372      9.138061
  C      -5.238848      4.690055      9.456372
  O      -4.537586      5.098853     10.403482
  C      -5.932760      5.683190      8.510970
  C      -5.676793      5.302828      7.075066
  C      -6.728348      4.911114      6.226141
  C      -6.424747      4.297490      5.015864
  N      -5.163963      4.092350      4.630597
  C      -4.129918      4.573752      5.383505
  C      -4.357977      5.184988      6.631784
  C      -6.624420      2.736656      8.666762
  C      -2.592909     -2.443656      8.613996
  C      -2.919980     -2.761618      7.154445
  O      -4.071273     -2.887320      6.732294
  N      -1.802871     -2.879390      6.336815
  C      -1.736975     -3.142085      4.960448
  C      -0.457535     -3.327317      4.394042
  C      -0.325383     -3.573422      3.052728
  C      -1.466462     -3.610785      2.266996
  F      -1.295435     -3.884058      0.969102
  C      -2.749687     -3.417158      2.781037
  C      -4.030311     -3.388501      1.985985
  O      -5.070062     -3.740317      2.502259
  C      -4.022999     -2.736925      0.605591
  C      -4.180608     -1.251346      0.862500
  C      -5.470283     -0.694737      0.947750
  C      -5.606607      0.594954      1.436462
  N      -4.557797      1.329795      1.810715
  C      -3.286887      0.853453      1.625157
  C      -3.070612     -0.463846      1.161490
  C      -2.866586     -3.201044      4.145931
  C      -6.088035     -6.452307     12.737494
  C      -6.215055     -6.815822     11.281309
  O      -6.077570     -7.963691     10.857343
  N      -6.513003     -5.737802     10.480218
  C      -6.727289     -5.697844      9.094982
  C      -6.696065     -6.840708      8.277044
  C      -6.937498     -6.710989      6.909863
  C      -7.195820     -5.462126      6.352692
  F      -7.456539     -5.405553      5.014056
  C      -7.228130     -4.301073      7.134818
  C      -7.461130     -2.912366      6.628199
  O      -7.705852     -2.009945      7.427490
  C      -7.366365     -2.641544      5.148050
  C      -7.154248     -1.194219      4.805853
  C      -8.175921     -0.390009      4.269019
  C      -7.848726      0.925575      3.936568
  N      -6.633135      1.464639      4.071539
  C      -5.630596      0.701357      4.597907
  C      -5.891727     -0.642811      4.987335
  C      -6.994043     -4.455098      8.511866
  H     -10.082140      0.346319      6.045590
  H     -10.341697     -0.419145      7.657302
  H     -11.252986      1.042159      7.220737
  H      -7.927355     -0.143669      7.537918
  H      -5.804685     -0.529561      8.152581
  H      -3.596657      0.333884      8.985148
  H      -5.534514      6.673845      8.764365
  H      -7.015155      5.691857      8.719161
  H      -7.768088      5.001576      6.542102
  H      -7.198928      3.889782      4.365040
  H      -3.523330      5.481262      7.269345
  H      -7.479636      3.398637      8.568167
  H      -2.095299     -1.470479      8.703313
  H      -3.524041     -2.416968      9.187461
  H      -1.926621     -3.185489      9.043722
  H      -0.898146     -2.784940      6.794764
  H       0.438278     -3.286778      5.020039
  H       0.658964     -3.742840      2.605872
  H      -3.093840     -2.948287      0.067109
  H      -4.878824     -3.129036      0.046035
  H      -6.351209     -1.281561      0.695209
  H      -6.587535      1.045355      1.581929
  H      -2.062924     -0.877453      1.103512
  H      -3.870679     -3.064624      4.563995
  H      -5.877682     -7.359053     13.299087
  H      -5.283601     -5.727977     12.894657
  H      -7.008717     -6.002572     13.109954
  H      -6.604603     -4.841877     10.948960
  H      -6.490487     -7.813130      8.721875
  H      -6.933516     -7.584733      6.258282
  H      -8.288485     -3.033299      4.694082
  H      -6.562904     -3.249401      4.726723
  H      -9.182224     -0.781473      4.093562
  H      -8.618063      1.586640      3.512286
  H      -5.096960     -1.279486      5.381821
  H      -7.021972     -3.550357      9.120630
  N      -4.257526      4.179640      1.984298
  H      -4.775249      5.028431      2.197417
  H      -4.403594      3.917560      1.014988
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.949284104535
  N      -2.971892      4.233931      4.762558
  Mo     -3.750977      2.867809      3.332371
  N      -4.388021      1.267671      4.660076
  C      -3.392710      0.476618      5.373491
  C      -2.208537      1.328225      5.780184
  N      -1.615355      1.973783      4.606119
  C      -0.825756      3.172718      4.913568
  C      -1.722535      4.269480      5.480839
  C      -0.869699      1.042058      3.746678
  C      -1.012450      1.495072      2.290812
  N      -2.400568      1.795913      2.055234
  H      -1.206870      5.242435      5.378799
  H      -1.884477      4.114194      6.565145
  H      -0.379505      3.516232      3.968930
  H       0.002180      2.944694      5.613170
  H      -0.620481      0.716545      1.613089
  H      -0.413677      2.403921      2.106465
  H      -1.315219      0.042625      3.852037
  H       0.191646      0.973049      4.055898
  H      -3.824765      0.054495      6.296354
  H      -3.054111     -0.392057      4.771941
  H      -2.555330      2.111719      6.466774
  H      -1.462873      0.710568      6.322666
  C     -10.284801      0.584639      7.186680
  C      -9.213943      1.496551      7.710325
  O      -9.423154      2.656303      7.975262
  N      -7.999236      0.884208      7.843669
  C      -6.804286      1.422011      8.317467
  C      -5.708460      0.548663      8.442495
  C      -4.484078      1.024469      8.891458
  C      -4.348994      2.367492      9.224360
  F      -3.121024      2.807791      9.601669
  C      -5.412851      3.266470      9.113058
  C      -5.240848      4.722153      9.425936
  O      -4.543871      5.096034     10.351337
  C      -5.936504      5.715226      8.483094
  C      -5.682633      5.320852      7.049961
  C      -6.729585      4.930469      6.197318
  C      -6.419576      4.311250      4.989773
  N      -5.160019      4.101773      4.609439
  C      -4.130213      4.579778      5.366551
  C      -4.364290      5.193242      6.611796
  C      -6.642751      2.775130      8.650795
  C      -2.546433     -2.407391      8.618647
  C      -2.897819     -2.761188      7.191264
  O      -4.075402     -2.922330      6.794888
  N      -1.795410     -2.872289      6.369282
  C      -1.736976     -3.143087      4.995355
  C      -0.469933     -3.329020      4.436748
  C      -0.321058     -3.560439      3.064042
  C      -1.445428     -3.590355      2.245303
  F      -1.244980     -3.839064      0.902090
  C      -2.729419     -3.407503      2.766367
  C      -4.002849     -3.382335      1.962599
  O      -5.066446     -3.750858      2.484650
  C      -3.999649     -2.740902      0.575847
  C      -4.171439     -1.255751      0.833720
  C      -5.471762     -0.694758      0.917715
  C      -5.608267      0.606769      1.416571
  N      -4.546941      1.344918      1.797915
  C      -3.272331      0.860263      1.611955
  C      -3.054410     -0.462924      1.141976
  C      -2.857573     -3.203101      4.159698
  C      -6.079998     -6.555829     12.757814
  C      -6.256476     -6.897576     11.278011
  O      -6.129624     -8.035782     10.839783
  N      -6.559533     -5.810460     10.482218
  C      -6.777646     -5.755145      9.092286
  C      -6.755873     -6.887948      8.262180
  C      -6.972653     -6.742390      6.900025
  C      -7.202422     -5.487985      6.357310
  F      -7.426066     -5.417686      5.028245
  C      -7.232981     -4.336141      7.147454
  C      -7.446843     -2.943859      6.657202
  O      -7.673789     -2.069213      7.471684
  C      -7.370345     -2.648101      5.172265
  C      -7.156648     -1.196078      4.834000
  C      -8.181861     -0.389241      4.325593
  C      -7.856561      0.923129      3.983204
  N      -6.640271      1.461469      4.087539
  C      -5.629776      0.699487      4.595093
  C      -5.889241     -0.645009      4.989007
  C      -7.021386     -4.505864      8.522010
  H     -10.089169      0.338022      6.156088
  H     -10.291910     -0.352894      7.742614
  H     -11.269312      1.084167      7.255169
  H      -7.950715     -0.099276      7.579045
  H      -5.822195     -0.503390      8.167547
  H      -3.622264      0.358385      8.973937
  H      -5.533743      6.707504      8.727067
  H      -7.016271      5.727873      8.693690
  H      -7.769346      5.028695      6.506638
  H      -7.188559      3.909113      4.334341
  H      -3.532607      5.488893      7.251412
  H      -7.492656      3.440593      8.551554
  H      -2.072535     -1.409800      8.658975
  H      -3.468615     -2.389842      9.207589
  H      -1.841129     -3.135693      9.058875
  H      -0.894856     -2.762896      6.818649
  H       0.411929     -3.292801      5.079701
  H       0.656420     -3.725336      2.619600
  H      -3.065987     -2.941714      0.038254
  H      -4.851382     -3.145122      0.015479
  H      -6.358245     -1.282180      0.660390
  H      -6.593321      1.063221      1.563196
  H      -2.042531     -0.878248      1.086868
  H      -3.844852     -3.064007      4.569200
  H      -5.847352     -7.472138     13.314279
  H      -5.257890     -5.838867     12.896223
  H      -7.004712     -6.104523     13.175909
  H      -6.634424     -4.919892     10.962550
  H      -6.567885     -7.864649      8.695155
  H      -6.967542     -7.608610      6.243671
  H      -8.307247     -3.023530      4.724344
  H      -6.569700     -3.261531      4.727343
  H      -9.191308     -0.775149      4.179696
  H      -8.631418      1.584523      3.579537
  H      -5.093905     -1.281588      5.366345
  H      -7.044217     -3.607966      9.138361
  N      -4.247642      4.180687      1.966318
  H      -4.765273      5.036809      2.186828
  H      -4.386365      3.921211      0.985961
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.949408745751
  N      -2.968366      4.215413      4.799760
  Mo     -3.759033      2.866758      3.356101
  N      -4.408837      1.264752      4.662612
  C      -3.421601      0.464036      5.372503
  C      -2.229629      1.301457      5.790870
  N      -1.629484      1.953136      4.625349
  C      -0.829701      3.141369      4.943279
  C      -1.717902      4.236945      5.519437
  C      -0.891920      1.027927      3.757786
  C      -1.033223      1.492057      2.305996
  N      -2.417641      1.800923      2.069421
  H      -1.195058      5.207158      5.426186
  H      -1.879655      4.075016      6.600759
  H      -0.381894      3.491700      4.003499
  H      -0.002485      2.900624      5.638109
  H      -0.648962      0.718871      1.622515
  H      -0.427293      2.395866      2.133449
  H      -1.346106      0.031814      3.852687
  H       0.167797      0.950462      4.070981
  H      -3.859152      0.036355      6.290035
  H      -3.087287     -0.400461      4.763461
  H      -2.569340      2.080033      6.484660
  H      -1.489306      0.673752      6.328317
  C     -10.280270      0.577250      7.072005
  C      -9.221708      1.495254      7.661040
  O      -9.466214      2.673531      8.021188
  N      -7.992827      0.893329      7.763744
  C      -6.793817      1.418652      8.280430
  C      -5.695667      0.543888      8.394216
  C      -4.468619      0.998926      8.886859
  C      -4.326249      2.323911      9.263048
  F      -3.091728      2.743170      9.675993
  C      -5.392638      3.226540      9.153303
  C      -5.229442      4.667765      9.486177
  O      -4.559784      5.025794     10.411697
  C      -5.914783      5.667099      8.549598
  C      -5.668525      5.288929      7.110251
  C      -6.721529      4.916509      6.256468
  C      -6.419646      4.309385      5.038855
  N      -5.158999      4.097813      4.650585
  C      -4.124232      4.562663      5.410615
  C      -4.352282      5.159613      6.666496
  C      -6.626647      2.751302      8.662070
  C      -2.557953     -2.446159      8.600433
  C      -2.910564     -2.766874      7.160315
  O      -4.068661     -2.898167      6.795822
  N      -1.825531     -2.883898      6.335371
  C      -1.769501     -3.148784      4.952500
  C      -0.486997     -3.328478      4.382280
  C      -0.341243     -3.567193      3.014022
  C      -1.477100     -3.600236      2.201271
  F      -1.285318     -3.862387      0.871975
  C      -2.769437     -3.412425      2.721796
  C      -4.043166     -3.377241      1.914987
  O      -5.107080     -3.748625      2.428463
  C      -4.019682     -2.696683      0.536275
  C      -4.179033     -1.217565      0.815827
  C      -5.464593     -0.661334      0.896679
  C      -5.599612      0.623346      1.404677
  N      -4.551260      1.351730      1.798407
  C      -3.289458      0.873905      1.615397
  C      -3.074940     -0.436082      1.136690
  C      -2.899897     -3.209254      4.119090
  C      -6.124113     -6.374440     12.809409
  C      -6.215223     -6.771583     11.352591
  O      -6.014880     -7.922559     10.963079
  N      -6.545662     -5.716763     10.520244
  C      -6.731610     -5.707194      9.126947
  C      -6.654772     -6.866950      8.316575
  C      -6.860533     -6.760423      6.941780
  C      -7.127508     -5.521137      6.370428
  F      -7.340056     -5.492464      5.030384
  C      -7.200395     -4.342841      7.145526
  C      -7.442532     -2.955172      6.638586
  O      -7.701900     -2.063860      7.463066
  C      -7.341519     -2.672418      5.143691
  C      -7.151011     -1.218086      4.806584
  C      -8.177933     -0.424338      4.280805
  C      -7.864845      0.893637      3.949520
  N      -6.657433      1.446115      4.074080
  C      -5.648765      0.694172      4.590369
  C      -5.898342     -0.651379      4.981834
  C      -7.006758     -4.474712      8.529480
  H     -10.058763      0.425208      5.989551
  H     -10.305977     -0.434132      7.563573
  H     -11.257784      1.059841      7.201548
  H      -7.937491     -0.078917      7.442399
  H      -5.811480     -0.491267      8.084110
  H      -3.612791      0.338121      8.965070
  H      -5.511838      6.656640      8.802290
  H      -6.993227      5.681150      8.764628
  H      -7.760340      5.015821      6.570602
  H      -7.195967      3.916604      4.383907
  H      -3.516654      5.442870      7.308106
  H      -7.478326      3.416925      8.565356
  H      -2.058383     -1.473071      8.666189
  H      -3.474342     -2.421939      9.196099
  H      -1.877290     -3.194606      9.022779
  H      -0.920169     -2.785133      6.790573
  H       0.402988     -3.288096      5.013991
  H       0.642733     -3.729315      2.568522
  H      -3.084468     -2.895802      0.003523
  H      -4.874011     -3.079770     -0.045387
  H      -6.343106     -1.242783      0.625785
  H      -6.576598      1.074477      1.544331
  H      -2.071909     -0.849213      1.080524
  H      -3.896049     -3.079513      4.534471
  H      -5.873516     -7.268024     13.397511
  H      -5.347966     -5.601891     12.963881
  H      -7.078875     -5.957075     13.162238
  H      -6.677050     -4.809911     10.971847
  H      -6.439779     -7.830991      8.770405
  H      -6.818881     -7.646557      6.299550
  H      -8.265880     -3.069857      4.678163
  H      -6.521261     -3.277927      4.710380
  H      -9.177601     -0.824136      4.114599
  H      -8.641440      1.545861      3.535992
  H      -5.101639     -1.276029      5.374162
  H      -7.068226     -3.557686      9.129948
  N      -4.255682      4.193113      2.008315
  H      -4.771831      5.046931      2.237811
  H      -4.398982      3.940286      1.016587
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.948135687257
  N      -2.975137      4.233814      4.760100
  Mo     -3.761902      2.860404      3.337988
  N      -4.397959      1.270351      4.664580
  C      -3.403663      0.478331      5.383538
  C      -2.216825      1.326816      5.789623
  N      -1.622961      1.970000      4.608553
  C      -0.829243      3.168476      4.908692
  C      -1.724532      4.270306      5.475501
  C      -0.880971      1.033864      3.747451
  C      -1.028042      1.481455      2.290931
  N      -2.418222      1.784230      2.057797
  H      -1.207255      5.242031      5.368782
  H      -1.884167      4.120134      6.561530
  H      -0.384686      3.510384      3.961106
  H       0.000899      2.939339      5.606093
  H      -0.640078      0.700119      1.614972
  H      -0.426823      2.386475      2.102371
  H      -1.330455      0.037600      3.856935
  H       0.181765      0.961555      4.054138
  H      -3.836196      0.060262      6.310360
  H      -3.064618     -0.392402      4.782092
  H      -2.561970      2.112812      6.476724
  H      -1.470738      0.708188      6.333631
  C     -10.262145      0.487609      7.184940
  C      -9.193825      1.423922      7.715218
  O      -9.442672      2.622864      7.983114
  N      -7.951764      0.823696      7.855304
  C      -6.763839      1.375958      8.326673
  C      -5.670905      0.500778      8.458063
  C      -4.455596      0.973529      8.907373
  C      -4.321709      2.318318      9.241401
  F      -3.100728      2.747403      9.624190
  C      -5.384324      3.221929      9.125976
  C      -5.229489      4.683366      9.442710
  O      -4.530536      5.095512     10.387888
  C      -5.929779      5.680624      8.498994
  C      -5.676371      5.305433      7.063250
  C      -6.728536      4.916498      6.214359
  C      -6.426673      4.303212      5.003906
  N      -5.164772      4.097043      4.618091
  C      -4.130145      4.579381      5.371085
  C      -4.358087      5.188384      6.620367
  C      -6.606791      2.731369      8.656440
  C      -2.574451     -2.451637      8.611343
  C      -2.919582     -2.766552      7.178847
  O      -4.052052     -2.895740      6.779643
  N      -1.824177     -2.879328      6.379243
  C      -1.755083     -3.139010      5.001095
  C      -0.473524     -3.313986      4.446103
  C      -0.325572     -3.550787      3.091803
  C      -1.455822     -3.590405      2.287335
  F      -1.268137     -3.853261      0.977726
  C      -2.743020     -3.408487      2.794024
  C      -4.015488     -3.383243      1.989636
  O      -5.039123     -3.738855      2.501010
  C      -4.015122     -2.732890      0.609762
  C      -4.177377     -1.251177      0.865250
  C      -5.463569     -0.698804      0.952367
  C      -5.599275      0.587613      1.437294
  N      -4.555402      1.321059      1.806323
  C      -3.289531      0.848319      1.620151
  C      -3.073447     -0.464586      1.159123
  C      -2.874267     -3.200285      4.169085
  C      -6.076003     -6.438620     12.719351
  C      -6.215472     -6.803137     11.260529
  O      -6.063125     -7.947572     10.843291
  N      -6.532688     -5.730029     10.453792
  C      -6.751588     -5.690864      9.068785
  C      -6.709494     -6.830088      8.255706
  C      -6.949362     -6.700226      6.890087
  C      -7.214661     -5.452683      6.331205
  F      -7.466063     -5.396369      4.996303
  C      -7.255190     -4.294780      7.108953
  C      -7.485930     -2.902812      6.604952
  O      -7.730275     -1.993541      7.419759
  C      -7.387248     -2.621317      5.129001
  C      -7.172147     -1.174359      4.797194
  C      -8.190619     -0.362746      4.266085
  C      -7.855814      0.952863      3.933412
  N      -6.636476      1.484160      4.065226
  C      -5.639465      0.712841      4.589940
  C      -5.908571     -0.629146      4.978966
  C      -7.026585     -4.450705      8.483209
  H     -10.067475      0.245144      6.139942
  H     -10.266046     -0.444111      7.735962
  H     -11.229984      0.983627      7.256304
  H      -7.881120     -0.175266      7.598597
  H      -5.782915     -0.552372      8.186408
  H      -3.592584      0.314086      8.996807
  H      -5.531226      6.674603      8.755015
  H      -7.014146      5.684939      8.709458
  H      -7.767817      5.007337      6.530767
  H      -7.200759      3.897038      4.352152
  H      -3.523227      5.483196      7.258816
  H      -7.460668      3.396245      8.553309
  H      -2.098350     -1.456251      8.683077
  H      -3.502571     -2.447083      9.199627
  H      -1.868358     -3.208710      9.026396
  H      -0.922243     -2.780932      6.846335
  H       0.414826     -3.270484      5.085653
  H       0.662859     -3.709307      2.652332
  H      -3.087057     -2.941483      0.068554
  H      -4.871077     -3.127446      0.054274
  H      -6.342868     -1.286682      0.702691
  H      -6.578630      1.036657      1.582129
  H      -2.066661     -0.877072      1.099723
  H      -3.880011     -3.072679      4.577498
  H      -5.847146     -7.341588     13.287684
  H      -5.273431     -5.705505     12.860359
  H      -6.999424     -5.998975     13.102027
  H      -6.631319     -4.837521     10.919493
  H      -6.494887     -7.799993      8.702913
  H      -6.935757     -7.570293      6.241945
  H      -8.307680     -3.006941      4.671860
  H      -6.588253     -3.226585      4.704266
  H      -9.198670     -0.748207      4.095426
  H      -8.621186      1.620462      3.512738
  H      -5.117470     -1.272298      5.372093
  H      -7.061101     -3.549744      9.089899
  N      -4.266416      4.171498      1.972425
  H      -4.780313      5.017491      2.186297
  H      -4.413934      3.907694      1.006604
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.949348146225
  N      -2.977501      4.228475      4.758220
  Mo     -3.759312      2.854939      3.333922
  N      -4.385864      1.258280      4.666249
  C      -3.387034      0.474164      5.379807
  C      -2.204370      1.331212      5.778195
  N      -1.620354      1.973460      4.600668
  C      -0.830897      3.174959      4.900765
  C      -1.725853      4.270354      5.469630
  C      -0.876940      1.042866      3.741094
  C      -1.025579      1.491048      2.286350
  N      -2.411033      1.786172      2.054586
  H      -1.214168      5.243951      5.363357
  H      -1.881442      4.117149      6.553612
  H      -0.391197      3.516626      3.953465
  H       0.000707      2.951453      5.595991
  H      -0.634997      0.713307      1.608858
  H      -0.433727      2.398941      2.100017
  H      -1.317037      0.044496      3.847145
  H       0.181867      0.979080      4.046807
  H      -3.814013      0.054888      6.305531
  H      -3.048031     -0.396028      4.780823
  H      -2.548838      2.115794      6.464015
  H      -1.455689      0.717887      6.317848
  C     -10.302390      0.593326      7.167379
  C      -9.203713      1.488036      7.733535
  O      -9.394533      2.648646      8.024995
  N      -7.990407      0.871665      7.856709
  C      -6.787573      1.407549      8.338583
  C      -5.686025      0.535058      8.462740
  C      -4.457911      1.014793      8.913393
  C      -4.326602      2.362854      9.245923
  F      -3.097867      2.807966      9.618088
  C      -5.397530      3.261991      9.133508
  C      -5.235289      4.729541      9.441580
  O      -4.535719      5.133374     10.385681
  C      -5.939149      5.712958      8.485948
  C      -5.682408      5.312467      7.054069
  C      -6.731983      4.913983      6.208010
  C      -6.426193      4.291811      5.000436
  N      -5.167682      4.088417      4.614026
  C      -4.134409      4.572671      5.365753
  C      -4.364492      5.189115      6.610498
  C      -6.627119      2.764997      8.673979
  C      -2.594835     -2.439387      8.636835
  C      -2.928479     -2.776274      7.192213
  O      -4.099469     -2.936204      6.789808
  N      -1.794112     -2.867837      6.345199
  C      -1.717542     -3.126366      4.954785
  C      -0.446286     -3.309345      4.390755
  C      -0.307092     -3.542400      3.034041
  C      -1.434087     -3.573643      2.232033
  F      -1.250292     -3.828720      0.912887
  C      -2.714360     -3.389661      2.751359
  C      -3.990832     -3.370244      1.958844
  O      -5.037521     -3.739358      2.475633
  C      -3.996181     -2.732560      0.580314
  C      -4.162758     -1.253216      0.843247
  C      -5.455077     -0.701277      0.935567
  C      -5.597009      0.587310      1.432659
  N      -4.550764      1.324229      1.807135
  C      -3.278134      0.849080      1.615108
  C      -3.055698     -0.463085      1.144224
  C      -2.835585     -3.183965      4.127316
  C      -6.107038     -6.520370     12.758819
  C      -6.265409     -6.875771     11.280968
  O      -6.130601     -8.016520     10.842841
  N      -6.563273     -5.795305     10.487564
  C      -6.772965     -5.743180      9.095723
  C      -6.742391     -6.877132      8.255323
  C      -6.957247     -6.731048      6.888682
  C      -7.194138     -5.477165      6.351492
  F      -7.419396     -5.403024      5.015160
  C      -7.233151     -4.325740      7.153316
  C      -7.454761     -2.935147      6.663992
  O      -7.694129     -2.051705      7.477222
  C      -7.368041     -2.653074      5.175179
  C      -7.151640     -1.203023      4.832781
  C      -8.170527     -0.398399      4.313765
  C      -7.842355      0.912580      3.970332
  N      -6.628989      1.450717      4.081884
  C      -5.625215      0.688823      4.599166
  C      -5.886762     -0.653331      4.996562
  C      -7.022241     -4.495534      8.532142
  H     -10.099048      0.375358      6.091510
  H     -10.347447     -0.358065      7.705340
  H     -11.262365      1.094971      7.256594
  H      -7.952532     -0.112961      7.576601
  H      -5.798532     -0.520795      8.186182
  H      -3.588521      0.351672      8.994452
  H      -5.542567      6.711562      8.721272
  H      -7.020586      5.718453      8.696932
  H      -7.770667      5.009314      6.522455
  H      -7.198695      3.884252      4.350241
  H      -3.530655      5.491351      7.245154
  H      -7.481241      3.429727      8.573994
  H      -2.113007     -1.461075      8.698756
  H      -3.513782     -2.418027      9.214615
  H      -1.915893     -3.166043      9.076474
  H      -0.892855     -2.758130      6.797045
  H       0.435100     -3.276918      5.030599
  H       0.664406     -3.711063      2.590655
  H      -3.071034     -2.936138      0.036309
  H      -4.846751     -3.131081      0.028590
  H      -6.333651     -1.288677      0.683259
  H      -6.579415      1.035761      1.583228
  H      -2.047322     -0.871140      1.082646
  H      -3.821959     -3.045740      4.538674
  H      -5.881255     -7.428499     13.319488
  H      -5.288852     -5.798848     12.905261
  H      -7.035333     -6.069266     13.158133
  H      -6.645924     -4.902669     10.971690
  H      -6.550011     -7.853903      8.683801
  H      -6.945761     -7.598003      6.224814
  H      -8.301890     -3.032974      4.718462
  H      -6.559360     -3.269103      4.744797
  H      -9.178906     -0.783456      4.161649
  H      -8.613324      1.574033      3.559510
  H      -5.095418     -1.288082      5.382183
  H      -7.054333     -3.597464      9.155649
  N      -4.267937      4.159289      1.963179
  H      -4.785479      5.013681      2.184082
  H      -4.408873      3.902974      0.994657
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.950391735308
  N      -2.960771      4.219382      4.800668
  Mo     -3.745301      2.867062      3.357919
  N      -4.402263      1.266427      4.669031
  C      -3.416171      0.465753      5.383536
  C      -2.225901      1.303592      5.805597
  N      -1.621179      1.952496      4.639890
  C      -0.823207      3.141389      4.958758
  C      -1.713931      4.239930      5.527478
  C      -0.878924      1.022360      3.778797
  C      -1.010050      1.484589      2.323602
  N      -2.395411      1.796817      2.078488
  H      -1.188485      5.208675      5.433715
  H      -1.881934      4.081059      6.609554
  H      -0.369753      3.488194      4.020097
  H       0.000474      2.901804      5.659777
  H      -0.621421      0.708457      1.644268
  H      -0.399731      2.388152      2.150277
  H      -1.336119      0.026280      3.875673
  H       0.180920      0.942704      4.098002
  H      -3.856881      0.039830      6.300694
  H      -3.079933     -0.398821      4.776842
  H      -2.569174      2.083036      6.496420
  H      -1.486145      0.677448      6.346870
  C     -10.273463      0.571347      7.123508
  C      -9.221817      1.498698      7.662609
  O      -9.457985      2.665976      7.973780
  N      -7.995675      0.900081      7.781163
  C      -6.801544      1.437626      8.283087
  C      -5.706566      0.567545      8.407823
  C      -4.484212      1.031390      8.890688
  C      -4.345776      2.359705      9.250545
  F      -3.114479      2.785565      9.659164
  C      -5.408477      3.257446      9.134392
  C      -5.242481      4.700237      9.461722
  O      -4.564141      5.064885     10.391463
  C      -5.923343      5.695737      8.522392
  C      -5.672103      5.308425      7.087437
  C      -6.719855      4.933035      6.228669
  C      -6.410567      4.319925      5.017664
  N      -5.149233      4.105269      4.638649
  C      -4.119142      4.570363      5.402988
  C      -4.354054      5.173254      6.653738
  C      -6.638656      2.775181      8.645919
  C      -2.616345     -2.418476      8.567826
  C      -2.947455     -2.767016      7.120510
  O      -4.109577     -2.916896      6.703566
  N      -1.850020     -2.885704      6.325355
  C      -1.790264     -3.161070      4.961964
  C      -0.512441     -3.334698      4.403392
  C      -0.357266     -3.568905      3.037360
  C      -1.484055     -3.607447      2.219922
  F      -1.279458     -3.858869      0.884949
  C      -2.776336     -3.432416      2.736016
  C      -4.043116     -3.406407      1.919968
  O      -5.108943     -3.785028      2.431519
  C      -4.014793     -2.724411      0.535542
  C      -4.173928     -1.236899      0.812318
  C      -5.468890     -0.672140      0.890434
  C      -5.600996      0.624228      1.404170
  N      -4.539608      1.354640      1.802632
  C      -3.270709      0.869025      1.620625
  C      -3.057892     -0.451785      1.138939
  C      -2.914581     -3.231037      4.129213
  C      -6.069995     -6.434171     12.775978
  C      -6.184707     -6.811686     11.318793
  O      -6.008215     -7.960637     10.911095
  N      -6.508307     -5.743140     10.503612
  C      -6.711232     -5.720308      9.117020
  C      -6.656579     -6.873383      8.307132
  C      -6.881104     -6.759273      6.940099
  C      -7.145844     -5.515993      6.374742
  F      -7.382951     -5.480135      5.039924
  C      -7.198259     -4.343139      7.148348
  C      -7.438692     -2.954157      6.644112
  O      -7.686330     -2.069615      7.453074
  C      -7.350483     -2.665342      5.153879
  C      -7.155437     -1.210577      4.818975
  C      -8.185210     -0.411202      4.299898
  C      -7.868395      0.905683      3.965193
  N      -6.655567      1.452764      4.083367
  C      -5.643752      0.697714      4.596252
  C      -5.896652     -0.648244      4.987572
  C      -6.984211     -4.482652      8.525867
  H     -10.070469      0.375234      6.075366
  H     -10.267299     -0.414356      7.644020
  H     -11.260688      1.056584      7.230995
  H      -7.934781     -0.081891      7.487772
  H      -5.818530     -0.471937      8.112642
  H      -3.627869      0.369416      8.977240
  H      -5.518973      6.681460      8.773865
  H      -7.000597      5.714265      8.732023
  H      -7.760171      5.036121      6.534949
  H      -7.181071      3.926369      4.357624
  H      -3.522644      5.457520      7.299119
  H      -7.489124      3.436948      8.544648
  H      -2.130186     -1.425502      8.636553
  H      -3.552485     -2.402245      9.146079
  H      -1.925041     -3.147166      9.008772
  H      -0.951114     -2.775840      6.788220
  H       0.373785     -3.286785      5.037980
  H       0.633945     -3.720611      2.590587
  H      -3.073823     -2.924439      0.006181
  H      -4.873212     -3.109821     -0.051347
  H      -6.355604     -1.254124      0.616775
  H      -6.582739      1.082062      1.545669
  H      -2.049470     -0.870614      1.085471
  H      -3.914217     -3.105739      4.540008
  H      -5.829431     -7.337585     13.348132
  H      -5.282019     -5.680735     12.929994
  H      -7.010029     -6.005890     13.145996
  H      -6.622187     -4.841390     10.963691
  H      -6.444477     -7.840866      8.756698
  H      -6.858306     -7.641530      6.296233
  H      -8.278389     -3.056296      4.697427
  H      -6.538985     -3.269822      4.713767
  H      -9.189646     -0.806347      4.140517
  H      -8.645944      1.561157      3.554863
  H      -5.098511     -1.278245      5.375302
  H      -7.029093     -3.569700      9.127730
  N      -4.232497      4.192087      2.003435
  H      -4.745067      5.047699      2.227268
  H      -4.377943      3.935745      1.016824
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.950711405498
  N      -2.976068      4.229832      4.759180
  Mo     -3.767247      2.862052      3.333590
  N      -4.403646      1.268898      4.652823
  C      -3.410957      0.473365      5.365018
  C      -2.222372      1.320067      5.769750
  N      -1.632185      1.966373      4.591939
  C      -0.834051      3.162111      4.895112
  C      -1.723259      4.263771      5.469197
  C      -0.892144      1.033360      3.728159
  C      -1.041815      1.485298      2.277292
  N      -2.428457      1.787594      2.050454
  H      -1.206121      5.235665      5.364206
  H      -1.879224      4.109736      6.553855
  H      -0.393509      3.507031      3.947403
  H      -0.002818      2.927567      5.587568
  H      -0.656456      0.708234      1.595680
  H      -0.444501      2.391466      2.094018
  H      -1.338049      0.036694      3.833665
  H       0.168430      0.962603      4.032545
  H      -3.843580      0.054688      6.289422
  H      -3.078498     -0.397592      4.760904
  H      -2.562959      2.104180      6.460513
  H      -1.476864      0.697863      6.308258
  C     -10.283858      0.564767      7.147411
  C      -9.201602      1.474798      7.723648
  O      -9.429838      2.669558      8.015005
  N      -7.976695      0.858418      7.855373
  C      -6.778115      1.389084      8.336654
  C      -5.685255      0.504453      8.463945
  C      -4.460026      0.967617      8.917156
  C      -4.314571      2.308821      9.253936
  F      -3.086196      2.734262      9.634620
  C      -5.375585      3.218734      9.139388
  C      -5.207736      4.673064      9.453069
  O      -4.516750      5.048020     10.368984
  C      -5.915424      5.674868      8.518955
  C      -5.669816      5.300510      7.079023
  C      -6.725282      4.913600      6.233192
  C      -6.427039      4.304240      5.016326
  N      -5.167254      4.099011      4.622627
  C      -4.129184      4.576870      5.374670
  C      -4.353452      5.183135      6.627610
  C      -6.608424      2.739260      8.672355
  C      -2.532528     -2.481203      8.652037
  C      -2.894497     -2.782991      7.227871
  O      -4.041488     -2.918139      6.865998
  N      -1.806256     -2.870843      6.396095
  C      -1.734717     -3.113023      5.001233
  C      -0.445192     -3.278912      4.441801
  C      -0.291600     -3.513208      3.076862
  C      -1.424867     -3.555663      2.256496
  F      -1.234150     -3.820001      0.941526
  C      -2.720125     -3.378646      2.762710
  C      -3.995851     -3.360240      1.951634
  O      -5.048081     -3.741326      2.462718
  C      -4.002685     -2.714383      0.574642
  C      -4.177297     -1.240936      0.840457
  C      -5.465112     -0.694796      0.933574
  C      -5.605057      0.589084      1.426666
  N      -4.561127      1.324156      1.799352
  C      -3.296288      0.855256      1.608082
  C      -3.078074     -0.452046      1.137874
  C      -2.857239     -3.175917      4.153624
  C      -6.094639     -6.436170     12.764086
  C      -6.238004     -6.809470     11.295541
  O      -6.067602     -7.952388     10.886601
  N      -6.569751     -5.743783     10.476371
  C      -6.781652     -5.713052      9.082498
  C      -6.722382     -6.857367      8.266708
  C      -6.943047     -6.732705      6.894980
  C      -7.205949     -5.488243      6.333029
  F      -7.429581     -5.439321      4.997023
  C      -7.265170     -4.325595      7.112149
  C      -7.491220     -2.935220      6.612088
  O      -7.742737     -2.045289      7.438118
  C      -7.379426     -2.642236      5.135071
  C      -7.168820     -1.190988      4.802013
  C      -8.188935     -0.386921      4.270643
  C      -7.861816      0.927945      3.934151
  N      -6.647488      1.467845      4.059418
  C      -5.646132      0.705256      4.584164
  C      -5.908149     -0.636929      4.979410
  C      -7.057139     -4.475955      8.492721
  H     -10.072261      0.336064      6.084265
  H     -10.327510     -0.375206      7.686642
  H     -11.245900      1.071360      7.218204
  H      -7.928890     -0.129655      7.576784
  H      -5.806517     -0.545478      8.187816
  H      -3.605491      0.299544      9.001536
  H      -5.515284      6.672330      8.769973
  H      -6.999961      5.677401      8.737593
  H      -7.763966      5.003795      6.553840
  H      -7.204247      3.901872      4.365910
  H      -3.515257      5.476371      7.263354
  H      -7.457640      3.414598      8.565753
  H      -2.060837     -1.492661      8.712965
  H      -3.442698     -2.481067      9.255858
  H      -1.823035     -3.241459      9.057632
  H      -0.903735     -2.769236      6.854494
  H       0.439172     -3.237757      5.090399
  H       0.695272     -3.671167      2.644458
  H      -3.076221     -2.913808      0.029700
  H      -4.851110     -3.114613      0.022830
  H      -6.341284     -1.282155      0.683022
  H      -6.584838      1.033048      1.574267
  H      -2.072191     -0.859723      1.073497
  H      -3.862756     -3.055881      4.561015
  H      -5.844353     -7.336658     13.341927
  H      -5.294577     -5.690764     12.898503
  H      -7.033599     -6.005081     13.154945
  H      -6.678840     -4.847848     10.939993
  H      -6.505737     -7.824710      8.715636
  H      -6.912025     -7.606224      6.248731
  H      -8.296441     -3.027677      4.666438
  H      -6.570987     -3.247742      4.714441
  H      -9.194580     -0.777287      4.104195
  H      -8.631637      1.588875      3.514882
  H      -5.116303     -1.272012      5.371425
  H      -7.102294     -3.570454      9.098596
  N      -4.275614      4.165972      1.967388
  H      -4.788334      5.019898      2.187028
  H      -4.415524      3.898307      0.985125
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.950474865588
  N      -2.977901      4.220084      4.780338
  Mo     -3.758378      2.850894      3.350352
  N      -4.394103      1.251962      4.677922
  C      -3.400904      0.463227      5.395506
  C      -2.216807      1.314650      5.803862
  N      -1.624822      1.959593      4.628581
  C      -0.833416      3.157604      4.933992
  C      -1.728502      4.254113      5.499245
  C      -0.879252      1.030555      3.769750
  C      -1.016900      1.485512      2.312253
  N      -2.404064      1.786780      2.071120
  H      -1.210313      5.225354      5.398328
  H      -1.890285      4.099222      6.582282
  H      -0.386381      3.499639      3.990427
  H      -0.005562      2.931561      5.633567
  H      -0.625257      0.707958      1.636181
  H      -0.416279      2.392215      2.132187
  H      -1.326985      0.032534      3.869170
  H       0.180289      0.960660      4.084151
  H      -3.834455      0.041084      6.318270
  H      -3.059010     -0.404813      4.795900
  H      -2.563677      2.097140      6.490392
  H      -1.470946      0.698588      6.345999
  C     -10.257802      0.511724      7.171018
  C      -9.191306      1.437472      7.711300
  O      -9.427032      2.612088      8.014882
  N      -7.953148      0.842034      7.824289
  C      -6.764598      1.394095      8.308084
  C      -5.660056      0.533930      8.439331
  C      -4.441965      1.016170      8.908761
  C      -4.323848      2.358891      9.251336
  F      -3.102738      2.802866      9.646629
  C      -5.400330      3.249203      9.131023
  C      -5.258113      4.714476      9.452690
  O      -4.565088      5.132746     10.406677
  C      -5.952582      5.697779      8.494360
  C      -5.688974      5.303871      7.064388
  C      -6.737070      4.908892      6.215107
  C      -6.429946      4.288662      5.009599
  N      -5.168023      4.084942      4.626702
  C      -4.136527      4.566030      5.382848
  C      -4.369993      5.180076      6.627509
  C      -6.618679      2.746478      8.653425
  C      -2.595076     -2.444511      8.586091
  C      -2.931163     -2.774076      7.144952
  O      -4.085091     -2.928836      6.761061
  N      -1.814268     -2.875346      6.315189
  C      -1.747383     -3.140586      4.939189
  C      -0.479407     -3.323282      4.382068
  C      -0.337623     -3.554643      3.026065
  C      -1.461653     -3.587191      2.226082
  F      -1.267776     -3.831159      0.897037
  C      -2.742464     -3.408208      2.745726
  C      -4.014253     -3.388051      1.951257
  O      -5.036472     -3.747819      2.462847
  C      -4.008857     -2.729489      0.573329
  C      -4.163285     -1.244224      0.837944
  C      -5.450825     -0.688814      0.925650
  C      -5.588625      0.596755      1.428746
  N      -4.543931      1.328405      1.813833
  C      -3.274527      0.852575      1.622974
  C      -3.055295     -0.458927      1.145560
  C      -2.864277     -3.200693      4.116773
  C      -6.104344     -6.435174     12.756545
  C      -6.248257     -6.807984     11.291192
  O      -6.115757     -7.956212     10.866481
  N      -6.541231     -5.735397     10.488451
  C      -6.750729     -5.699027      9.101015
  C      -6.720045     -6.841204      8.277887
  C      -6.941201     -6.710710      6.913269
  C      -7.185454     -5.461965      6.361195
  F      -7.419418     -5.403892      5.026248
  C      -7.224886     -4.302812      7.145670
  C      -7.454916     -2.912498      6.641882
  O      -7.698493     -2.004878      7.454107
  C      -7.377538     -2.643547      5.149888
  C      -7.163338     -1.196366      4.811841
  C      -8.180864     -0.387955      4.288254
  C      -7.848522      0.926592      3.955442
  N      -6.632089      1.460527      4.080684
  C      -5.633484      0.691349      4.599524
  C      -5.900114     -0.650470      4.986473
  C      -7.005264     -4.457659      8.522227
  H     -10.063605      0.330843      6.099336
  H     -10.255450     -0.476027      7.689943
  H     -11.231738      0.991733      7.291685
  H      -7.887865     -0.143630      7.547448
  H      -5.757503     -0.517604      8.159642
  H      -3.567997      0.360873      9.002938
  H      -5.559386      6.693869      8.739443
  H      -7.034098      5.701601      8.697059
  H      -7.776406      5.004053      6.527708
  H      -7.203323      3.881429      4.359678
  H      -3.538280      5.479503      7.266178
  H      -7.477923      3.399393      8.551718
  H      -2.107982     -1.464251      8.652193
  H      -3.518680     -2.426578      9.168800
  H      -1.916389     -3.180597      9.016727
  H      -0.911528     -2.766810      6.765760
  H       0.403797     -3.286653      5.019288
  H       0.637943     -3.717556      2.581161
  H      -3.080999     -2.937216      0.031987
  H      -4.869520     -3.116495      0.012738
  H      -6.331655     -1.274635      0.665671
  H      -6.568384      1.047619      1.577265
  H      -2.047648     -0.869654      1.086534
  H      -3.849863     -3.060202      4.522000
  H      -5.894307     -7.336379     13.324253
  H      -5.287386     -5.717657     12.903846
  H      -7.023396     -5.975104     13.137187
  H      -6.626467     -4.838819     10.960636
  H      -6.524437     -7.812710      8.718527
  H      -6.931058     -7.583320      6.259703
  H      -8.313379     -3.027826      4.700061
  H      -6.571621     -3.256337      4.715010
  H      -9.187894     -0.773306      4.123180
  H      -8.615280      1.592416      3.541833
  H      -5.110002     -1.291045      5.373780
  H      -7.037432     -3.554221      9.133450
  N      -4.257599      4.165696      1.980115
  H      -4.768914      5.018480      2.203179
  H      -4.404771      3.918681      1.015556
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.951853967128
  N      -2.962768      4.216913      4.782617
  Mo     -3.746986      2.856392      3.348296
  N      -4.399695      1.262226      4.663766
  C      -3.409698      0.465296      5.378258
  C      -2.220729      1.307710      5.794800
  N      -1.620503      1.952806      4.624991
  C      -0.822913      3.144222      4.937566
  C      -1.714403      4.245454      5.504766
  C      -0.877708      1.017477      3.767122
  C      -1.014044      1.473027      2.311201
  N      -2.399348      1.780608      2.070668
  H      -1.193166      5.215698      5.403645
  H      -1.878994      4.090911      6.589219
  H      -0.373451      3.488281      3.995161
  H       0.002874      2.906564      5.636774
  H      -0.625099      0.695044      1.633151
  H      -0.408981      2.376429      2.131704
  H      -1.330751      0.021343      3.870539
  H       0.181920      0.941464      4.082761
  H      -3.847227      0.042043      6.298282
  H      -3.073005     -0.401131      4.773138
  H      -2.563333      2.089843      6.484170
  H      -1.478745      0.683754      6.336191
  C     -10.292545      0.580583      7.161855
  C      -9.207141      1.499839      7.697809
  O      -9.410089      2.669798      7.972539
  N      -7.993583      0.888532      7.834740
  C      -6.791361      1.427166      8.329013
  C      -5.699453      0.552024      8.452801
  C      -4.474678      1.024132      8.916090
  C      -4.330966      2.366423      9.260334
  F      -3.099555      2.801563      9.644131
  C      -5.390375      3.268243      9.146756
  C      -5.220127      4.724659      9.454926
  O      -4.534400      5.116452     10.396619
  C      -5.917905      5.709443      8.504382
  C      -5.668924      5.312012      7.071118
  C      -6.717241      4.927454      6.217366
  C      -6.409369      4.310789      5.007411
  N      -5.150100      4.099571      4.625334
  C      -4.118986      4.570159      5.385674
  C      -4.352134      5.178688      6.633651
  C      -6.622199      2.778929      8.675382
  C      -2.677451     -2.439804      8.591362
  C      -2.987068     -2.788652      7.132374
  O      -4.142982     -2.958548      6.686312
  N      -1.868652     -2.880869      6.343192
  C      -1.781112     -3.142390      4.964045
  C      -0.490525     -3.290116      4.403576
  C      -0.327920     -3.514973      3.044496
  C      -1.451545     -3.567082      2.231308
  F      -1.251451     -3.821822      0.920736
  C      -2.746544     -3.409823      2.737935
  C      -4.012704     -3.400950      1.924497
  O      -5.066938     -3.793672      2.429825
  C      -3.999675     -2.728968      0.543768
  C      -4.162151     -1.247619      0.823963
  C      -5.454551     -0.689927      0.910456
  C      -5.590992      0.599136      1.415707
  N      -4.538523      1.329509      1.802236
  C      -3.269516      0.851198      1.618549
  C      -3.052836     -0.462531      1.141366
  C      -2.895250     -3.220670      4.125181
  C      -6.058820     -6.457534     12.756731
  C      -6.174711     -6.825654     11.296843
  O      -5.974119     -7.965478     10.884586
  N      -6.518443     -5.757561     10.487741
  C      -6.724554     -5.723403      9.100352
  C      -6.664978     -6.867284      8.277296
  C      -6.892381     -6.741488      6.909307
  C      -7.162569     -5.496281      6.356895
  F      -7.402962     -5.444491      5.019741
  C      -7.218239     -4.333428      7.145246
  C      -7.462389     -2.946635      6.648738
  O      -7.717799     -2.067685      7.458057
  C      -7.365447     -2.659001      5.159653
  C      -7.162258     -1.205890      4.819705
  C      -8.185601     -0.403949      4.301225
  C      -7.862273      0.909463      3.961585
  N      -6.649254      1.452378      4.075713
  C      -5.642047      0.694676      4.590461
  C      -5.901286     -0.649546      4.984528
  C      -7.003371     -4.484187      8.522763
  H     -10.094234      0.323761      6.117055
  H     -10.312703     -0.351443      7.715034
  H     -11.269364      1.080639      7.230962
  H      -7.952168     -0.101901      7.557244
  H      -5.818885     -0.498158      8.164206
  H      -3.620633      0.360193      8.997496
  H      -5.517371      6.701532      8.744746
  H      -6.995716      5.722033      8.717469
  H      -7.756384      5.028640      6.525698
  H      -7.178959      3.912911      4.349393
  H      -3.519940      5.468452      7.275140
  H      -7.469357      3.445051      8.574181
  H      -2.211405     -1.440977      8.676632
  H      -3.618199     -2.440953      9.154266
  H      -1.979285     -3.153430      9.037955
  H      -0.973785     -2.757284      6.818596
  H       0.390880     -3.234872      5.042000
  H       0.663409     -3.655363      2.604021
  H      -3.066185     -2.925972      0.007741
  H      -4.853211     -3.117254     -0.033075
  H      -6.335738     -1.272485      0.645233
  H      -6.572217      1.051184      1.559818
  H      -2.045876     -0.876568      1.081825
  H      -3.902700     -3.116752      4.536882
  H      -5.790796     -7.358593     13.329775
  H      -5.285504     -5.685015     12.903784
  H      -7.011319     -6.056900     13.132276
  H      -6.643163     -4.862454     10.954777
  H      -6.448606     -7.836824      8.716492
  H      -6.866806     -7.617290      6.256047
  H      -8.292737     -3.047565      4.697216
  H      -6.551668     -3.267879      4.728643
  H      -9.191858     -0.794016      4.146070
  H      -8.636198      1.567388      3.551035
  H      -5.108495     -1.281184      5.373634
  H      -7.049775     -3.577438      9.134311
  N      -4.245350      4.165128      1.988506
  H      -4.757862      5.018502      2.205176
  H      -4.388418      3.898564      1.010574
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.951674508488
  N      -2.968062      4.225382      4.773222
  Mo     -3.759872      2.858885      3.344335
  N      -4.402402      1.263530      4.665080
  C      -3.413276      0.467805      5.380494
  C      -2.224258      1.311637      5.786090
  N      -1.629825      1.956295      4.610732
  C      -0.831185      3.151115      4.918656
  C      -1.718827      4.252826      5.489332
  C      -0.889399      1.024306      3.747072
  C      -1.029645      1.480493      2.296200
  N      -2.413528      1.788827      2.062658
  H      -1.197987      5.222063      5.388468
  H      -1.879572      4.098967      6.572285
  H      -0.385600      3.494428      3.973653
  H      -0.002947      2.916366      5.615373
  H      -0.642988      0.703758      1.614524
  H      -0.427147      2.384883      2.118498
  H      -1.338075      0.028876      3.847278
  H       0.168165      0.950122      4.057096
  H      -3.848247      0.050324      6.303653
  H      -3.080686     -0.404718      4.779659
  H      -2.564022      2.097109      6.475447
  H      -1.481173      0.689371      6.326052
  C     -10.256844      0.575558      7.109881
  C      -9.199650      1.487482      7.673999
  O      -9.437996      2.658952      7.999938
  N      -7.967889      0.884328      7.791755
  C      -6.777906      1.417084      8.294039
  C      -5.679954      0.541418      8.434143
  C      -4.462080      0.999861      8.916298
  C      -4.329147      2.329246      9.263411
  F      -3.104934      2.749726      9.675754
  C      -5.394691      3.233735      9.131823
  C      -5.233744      4.680616      9.455034
  O      -4.544714      5.046162     10.373905
  C      -5.923336      5.681658      8.518099
  C      -5.671014      5.303517      7.080037
  C      -6.723830      4.919846      6.229054
  C      -6.421503      4.306027      5.015920
  N      -5.160842      4.098750      4.628108
  C      -4.124472      4.573579      5.384257
  C      -4.352265      5.180550      6.635957
  C      -6.620347      2.756096      8.643603
  C      -2.570290     -2.471897      8.623063
  C      -2.921725     -2.788414      7.194470
  O      -4.074330     -2.939601      6.812415
  N      -1.824746     -2.866897      6.366163
  C      -1.755315     -3.113344      4.982673
  C      -0.476054     -3.276470      4.434144
  C      -0.317937     -3.504694      3.068639
  C      -1.443422     -3.548394      2.240991
  F      -1.233612     -3.790865      0.904010
  C      -2.737040     -3.383158      2.746913
  C      -4.007835     -3.373391      1.928245
  O      -5.068480     -3.768498      2.435798
  C      -4.009372     -2.723296      0.552622
  C      -4.180198     -1.244575      0.821902
  C      -5.475934     -0.691280      0.919750
  C      -5.612883      0.600161      1.427749
  N      -4.556348      1.334613      1.809229
  C      -3.285632      0.858890      1.611315
  C      -3.068953     -0.454697      1.126799
  C      -2.876567     -3.184310      4.137460
  C      -6.063493     -6.453825     12.773803
  C      -6.220614     -6.822136     11.303146
  O      -6.080594     -7.970107     10.878423
  N      -6.540022     -5.748556     10.495356
  C      -6.760827     -5.717588      9.104768
  C      -6.714665     -6.865427      8.290515
  C      -6.945205     -6.743478      6.922903
  C      -7.207342     -5.497251      6.361896
  F      -7.443914     -5.452208      5.028858
  C      -7.254577     -4.330185      7.138503
  C      -7.481961     -2.939643      6.635978
  O      -7.729943     -2.050171      7.445680
  C      -7.372186     -2.651742      5.159265
  C      -7.164043     -1.200732      4.821731
  C      -8.186233     -0.399953      4.281689
  C      -7.862221      0.914316      3.941974
  N      -6.648289      1.456772      4.069610
  C      -5.644023      0.697461      4.598534
  C      -5.902655     -0.644053      5.000870
  C      -7.035113     -4.477421      8.516468
  H     -10.052288      0.413252      6.040357
  H     -10.267787     -0.424061      7.610776
  H     -11.224724      1.063778      7.234014
  H      -7.904709     -0.096663      7.495850
  H      -5.789493     -0.498636      8.150983
  H      -3.602929      0.333038      9.016960
  H      -5.522065      6.673295      8.772043
  H      -7.005537      5.691990      8.729744
  H      -7.763903      5.014176      6.544339
  H      -7.196793      3.903932      4.362412
  H      -3.516269      5.472794      7.275141
  H      -7.473988      3.426148      8.525533
  H      -2.108478     -1.475447      8.679983
  H      -3.484259     -2.479261      9.221975
  H      -1.852432     -3.217282      9.036973
  H      -0.927278     -2.756225      6.826044
  H       0.405618     -3.230715      5.083123
  H       0.672421     -3.651129      2.632488
  H      -3.079875     -2.925978      0.009838
  H      -4.861444     -3.120740     -0.002020
  H      -6.359816     -1.277878      0.664992
  H      -6.597169      1.050199      1.583956
  H      -2.059217     -0.866501      1.059892
  H      -3.878853     -3.068773      4.542107
  H      -5.836492     -7.361283     13.336850
  H      -5.247363     -5.732469     12.916795
  H      -6.987200     -5.995672     13.173968
  H      -6.634626     -4.849869     10.964898
  H      -6.497990     -7.834627      8.738845
  H      -6.924420     -7.620356      6.277227
  H      -8.287764     -3.039134      4.695418
  H      -6.566059     -3.257748      4.739058
  H      -9.191040     -0.792754      4.110841
  H      -8.633785      1.571511      3.516765
  H      -5.108853     -1.277469      5.398544
  H      -7.072522     -3.569108      9.121788
  N      -4.259291      4.175371      1.977584
  H      -4.764840      5.038040      2.208244
  H      -4.402525      3.924152      0.994076
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.952396828630
  N      -2.974516      4.212804      4.789212
  Mo     -3.754433      2.852751      3.353690
  N      -4.404890      1.255912      4.668506
  C      -3.416582      0.459490      5.386231
  C      -2.228593      1.302969      5.804520
  N      -1.629024      1.950637      4.634174
  C      -0.831946      3.141618      4.946562
  C      -1.725484      4.240558      5.513482
  C      -0.882399      1.019880      3.777705
  C      -1.012540      1.481246      2.320346
  N      -2.399391      1.789718      2.073831
  H      -1.202765      5.211595      5.416143
  H      -1.891969      4.081831      6.596278
  H      -0.381311      3.487437      4.005697
  H      -0.007392      2.905086      5.645780
  H      -0.622348      0.704595      1.643786
  H      -0.405068      2.386383      2.145838
  H      -1.337703      0.021859      3.873952
  H       0.178288      0.943333      4.098044
  H      -3.856031      0.035720      6.306393
  H      -3.076951     -0.406314      4.782343
  H      -2.575257      2.082486      6.493915
  H      -1.487008      0.679312      6.346731
  C     -10.270819      0.517639      7.169905
  C      -9.194806      1.443666      7.722488
  O      -9.431120      2.636402      7.986965
  N      -7.964143      0.836772      7.860067
  C      -6.772999      1.382183      8.335119
  C      -5.673756      0.510782      8.469242
  C      -4.452386      0.994818      8.927413
  C      -4.321393      2.343464      9.261411
  F      -3.096182      2.785823      9.649194
  C      -5.390567      3.240074      9.141203
  C      -5.237066      4.700072      9.457464
  O      -4.557242      5.093456     10.389569
  C      -5.939440      5.687184      8.511072
  C      -5.684036      5.299574      7.078119
  C      -6.732086      4.913201      6.225950
  C      -6.423671      4.300581      5.015576
  N      -5.161519      4.092283      4.631411
  C      -4.131426      4.564212      5.391319
  C      -4.366606      5.172763      6.639501
  C      -6.615961      2.740774      8.667486
  C      -2.598715     -2.486715      8.573746
  C      -2.935013     -2.791352      7.129191
  O      -4.090951     -2.947869      6.764124
  N      -1.833625     -2.878766      6.305003
  C      -1.765962     -3.134649      4.929493
  C      -0.485611     -3.300827      4.374844
  C      -0.329791     -3.526761      3.010147
  C      -1.457152     -3.568664      2.195806
  F      -1.252859     -3.811042      0.864270
  C      -2.751471     -3.403296      2.711897
  C      -4.020735     -3.386432      1.902357
  O      -5.061809     -3.766600      2.407276
  C      -4.003558     -2.703887      0.523364
  C      -4.159574     -1.223153      0.805654
  C      -5.442710     -0.666863      0.885168
  C      -5.577850      0.614348      1.398282
  N      -4.533314      1.339318      1.798602
  C      -3.270774      0.862936      1.614955
  C      -3.056166     -0.443906      1.129964
  C      -2.884991     -3.202671      4.093581
  C      -6.128637     -6.374657     12.792470
  C      -6.230489     -6.763792     11.336598
  O      -6.057738     -7.909764     10.936206
  N      -6.540392     -5.706473     10.513972
  C      -6.732954     -5.686132      9.123087
  C      -6.667290     -6.834022      8.312693
  C      -6.880654     -6.717947      6.940382
  C      -7.148818     -5.479399      6.369627
  F      -7.370665     -5.437977      5.031130
  C      -7.217780     -4.314408      7.142155
  C      -7.461887     -2.930140      6.629242
  O      -7.715680     -2.032356      7.457221
  C      -7.380453     -2.652284      5.134075
  C      -7.171611     -1.201424      4.797229
  C      -8.191009     -0.395299      4.273676
  C      -7.861910      0.920524      3.942232
  N      -6.646711      1.458985      4.068422
  C      -5.646404      0.694779      4.588056
  C      -5.911929     -0.648918      4.974487
  C      -7.008255     -4.455038      8.525970
  H     -10.066188      0.280481      6.114219
  H     -10.292586     -0.417677      7.719735
  H     -11.240694      1.012946      7.237049
  H      -7.910060     -0.155210      7.598106
  H      -5.779429     -0.546812      8.197521
  H      -3.585598      0.337858      9.022174
  H      -5.544639      6.685666      8.755916
  H      -7.022388      5.688739      8.723484
  H      -7.771867      5.009028      6.537491
  H      -7.196895      3.901912      4.362356
  H      -3.534762      5.464792      7.280662
  H      -7.469244      3.401469      8.564104
  H      -2.118228     -1.508200      8.651237
  H      -3.517104     -2.484812      9.165918
  H      -1.917419     -3.232994      8.989097
  H      -0.932954     -2.769142      6.758777
  H       0.397580     -3.256720      5.017083
  H       0.654888     -3.677812      2.570873
  H      -3.068799     -2.901287     -0.013677
  H      -4.862494     -3.084655     -0.054078
  H      -6.320970     -1.247572      0.609829
  H      -6.552666      1.066123      1.537208
  H      -2.051967     -0.856655      1.073263
  H      -3.875029     -3.074479      4.492557
  H      -5.907045     -7.266482     13.374509
  H      -5.337138     -5.630181     12.946982
  H      -7.063607     -5.938142     13.145958
  H      -6.658404     -4.808062     10.970091
  H      -6.453203     -7.797929      8.765882
  H      -6.844094     -7.594773      6.298216
  H      -8.316808     -3.038440      4.679571
  H      -6.569845     -3.262568      4.696012
  H      -9.196856     -0.784302      4.107856
  H      -8.630335      1.584075      3.528874
  H      -5.121353     -1.285086      5.364515
  H      -7.063675     -3.547133      9.125658
  N      -4.245994      4.165114      1.992658
  H      -4.759094      5.012014      2.200359
  H      -4.394953      3.895564      1.015263
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.954766028407
  N      -2.968212      4.213654      4.783691
  Mo     -3.752558      2.847928      3.353538
  N      -4.399873      1.253915      4.673972
  C      -3.411133      0.459928      5.392151
  C      -2.223331      1.305058      5.803595
  N      -1.626312      1.948677      4.630056
  C      -0.828836      3.141977      4.938626
  C      -1.719579      4.243351      5.504388
  C      -0.882663      1.015093      3.772654
  C      -1.015216      1.472188      2.317580
  N      -2.399738      1.781156      2.074700
  H      -1.198055      5.212850      5.402726
  H      -1.883691      4.089872      6.587574
  H      -0.380003      3.484374      3.995428
  H      -0.002646      2.908010      5.637730
  H      -0.626272      0.694093      1.640019
  H      -0.409586      2.375738      2.141255
  H      -1.335268      0.019131      3.871231
  H       0.175468      0.939231      4.089512
  H      -3.848720      0.040584      6.313873
  H      -3.074045     -0.409450      4.791053
  H      -2.567279      2.088574      6.491195
  H      -1.480817      0.683852      6.345990
  C     -10.273918      0.595015      7.144054
  C      -9.195010      1.507085      7.692969
  O      -9.414105      2.686369      7.986510
  N      -7.973409      0.892006      7.825184
  C      -6.779394      1.427756      8.318870
  C      -5.682877      0.555488      8.457211
  C      -4.464869      1.028656      8.933167
  C      -4.332812      2.369298      9.274438
  F      -3.109003      2.804030      9.675230
  C      -5.397593      3.268702      9.144984
  C      -5.240007      4.726415      9.456888
  O      -4.559143      5.120162     10.392857
  C      -5.932341      5.710944      8.501432
  C      -5.676104      5.312236      7.070290
  C      -6.725342      4.922930      6.219103
  C      -6.418566      4.302186      5.011778
  N      -5.157643      4.092420      4.628559
  C      -4.124968      4.566960      5.386655
  C      -4.357766      5.180304      6.633087
  C      -6.621137      2.777556      8.662257
  C      -2.699111     -2.503516      8.578806
  C      -3.011021     -2.809432      7.126905
  O      -4.160535     -2.937575      6.708542
  N      -1.891009     -2.901603      6.329770
  C      -1.796478     -3.145172      4.949312
  C      -0.506721     -3.291908      4.408747
  C      -0.331522     -3.502517      3.046370
  C      -1.446122     -3.548402      2.217381
  F      -1.225133     -3.781191      0.892035
  C      -2.746119     -3.404019      2.713710
  C      -4.004118     -3.402694      1.886150
  O      -5.045317     -3.834262      2.361842
  C      -3.988405     -2.716678      0.517769
  C      -4.157495     -1.240303      0.810664
  C      -5.449028     -0.688564      0.902670
  C      -5.587953      0.595002      1.417869
  N      -4.539002      1.325924      1.808796
  C      -3.270053      0.852697      1.618264
  C      -3.051911     -0.455818      1.132139
  C      -2.903324     -3.218668      4.097265
  C      -6.045037     -6.441362     12.774928
  C      -6.173763     -6.813410     11.310292
  O      -5.992358     -7.954963     10.891468
  N      -6.506813     -5.747053     10.501650
  C      -6.716290     -5.715446      9.112557
  C      -6.653037     -6.858206      8.291354
  C      -6.877840     -6.733022      6.923681
  C      -7.151139     -5.489382      6.368142
  F      -7.382727     -5.438906      5.032222
  C      -7.214663     -4.328172      7.151755
  C      -7.458163     -2.940969      6.651378
  O      -7.708061     -2.051646      7.469710
  C      -7.373684     -2.655803      5.164292
  C      -7.166108     -1.204599      4.826119
  C      -8.186774     -0.400823      4.298746
  C      -7.858515      0.912032      3.957090
  N      -6.643387      1.451001      4.076982
  C      -5.641238      0.689866      4.599996
  C      -5.904336     -0.651657      4.997012
  C      -6.999785     -4.478666      8.530468
  H     -10.075445      0.381387      6.083322
  H     -10.294561     -0.367144      7.677551
  H     -11.242665      1.095496      7.236827
  H      -7.924466     -0.095815      7.546157
  H      -5.790007     -0.493703      8.176226
  H      -3.603615      0.367579      9.031917
  H      -5.533817      6.706510      8.741084
  H      -7.013958      5.721065      8.709986
  H      -7.765225      5.022787      6.529471
  H      -7.191712      3.900990      4.357878
  H      -3.524674      5.474947      7.272837
  H      -7.472601      3.441866      8.549767
  H      -2.195682     -1.529165      8.666983
  H      -3.635785     -2.476489      9.143640
  H      -2.035526     -3.265081      9.015439
  H      -0.999316     -2.797177      6.806885
  H       0.367377     -3.244339      5.062300
  H       0.661270     -3.638285      2.617557
  H      -3.051308     -2.904569     -0.016394
  H      -4.837134     -3.101989     -0.061082
  H      -6.328482     -1.272303      0.633812
  H      -6.569505      1.043772      1.566768
  H      -2.043546     -0.865291      1.068698
  H      -3.909690     -3.112145      4.490932
  H      -5.797738     -7.341821     13.344753
  H      -5.255241     -5.689879     12.922508
  H      -6.984998     -6.016319     13.157281
  H      -6.624790     -4.851957     10.969881
  H      -6.431484     -7.825754      8.733729
  H      -6.845003     -7.606711      6.272361
  H      -8.303643     -3.041237      4.710476
  H      -6.566990     -3.264054      4.729503
  H      -9.193103     -0.789785      4.136649
  H      -8.628562      1.572376      3.539979
  H      -5.112372     -1.286246      5.389198
  H      -7.051167     -3.573695      9.139733
  N      -4.248644      4.158534      1.988369
  H      -4.759944      5.015575      2.203913
  H      -4.396139      3.894343      1.013790
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.952111781155
  N      -2.976559      4.215362      4.798966
  Mo     -3.753171      2.866406      3.348060
  N      -4.411009      1.260918      4.642319
  C      -3.430478      0.456633      5.360224
  C      -2.242889      1.294734      5.786591
  N      -1.637416      1.951186      4.624045
  C      -0.840204      3.140161      4.951966
  C      -1.732338      4.236199      5.525928
  C      -0.889205      1.027333      3.759375
  C      -1.011346      1.502829      2.310962
  N      -2.393292      1.814956      2.064322
  H      -1.210177      5.206376      5.438308
  H      -1.902234      4.070740      6.606488
  H      -0.385680      3.493145      4.015231
  H      -0.018270      2.896500      5.653074
  H      -0.618180      0.733457      1.625323
  H      -0.404883      2.408080      2.150643
  H      -1.342650      0.031329      3.842022
  H       0.165753      0.946254      4.082052
  H      -3.875845      0.030912      6.274895
  H      -3.093066     -0.408781      4.753254
  H      -2.588723      2.072037      6.480854
  H      -1.504698      0.666235      6.326458
  C     -10.163549      0.318089      7.213239
  C      -9.100816      1.268209      7.724526
  O      -9.341958      2.443678      8.000541
  N      -7.861359      0.691169      7.840502
  C      -6.673976      1.266315      8.314160
  C      -5.549539      0.428647      8.433297
  C      -4.340467      0.936274      8.894833
  C      -4.245475      2.276629      9.243850
  F      -3.032376      2.744949      9.639085
  C      -5.338506      3.143680      9.133579
  C      -5.223108      4.598813      9.473146
  O      -4.549313      4.987681     10.412914
  C      -5.950924      5.589584      8.549298
  C      -5.693588      5.244005      7.104506
  C      -6.740045      4.867679      6.243805
  C      -6.428286      4.280843      5.020723
  N      -5.165985      4.088030      4.635450
  C      -4.136313      4.556021      5.403377
  C      -4.374220      5.143778      6.661028
  C      -6.552384      2.618208      8.661354
  C      -2.740280     -2.585939      8.578492
  C      -3.042901     -2.859384      7.117663
  O      -4.187443     -2.999705      6.681442
  N      -1.918431     -2.918813      6.328470
  C      -1.807701     -3.125606      4.940173
  C      -0.508227     -3.235533      4.407302
  C      -0.315873     -3.416674      3.043242
  C      -1.422083     -3.467531      2.201922
  F      -1.187493     -3.674446      0.878684
  C      -2.729090     -3.354299      2.685375
  C      -3.976940     -3.372678      1.840499
  O      -5.019620     -3.832036      2.300153
  C      -3.959475     -2.678425      0.478272
  C      -4.136952     -1.204026      0.774755
  C      -5.432922     -0.657161      0.867595
  C      -5.578284      0.624613      1.387482
  N      -4.531337      1.356480      1.785436
  C      -3.258287      0.889841      1.593961
  C      -3.033787     -0.414579      1.097859
  C      -2.905930     -3.199854      4.073631
  C      -6.106114     -6.199589     12.837918
  C      -6.228284     -6.605203     11.380273
  O      -6.031267     -7.754540     10.989598
  N      -6.577115     -5.561331     10.545115
  C      -6.785123     -5.565113      9.154833
  C      -6.711099     -6.728052      8.362155
  C      -6.930997     -6.638163      6.990923
  C      -7.209822     -5.409651      6.404998
  F      -7.429396     -5.392567      5.065954
  C      -7.284832     -4.229254      7.160777
  C      -7.527334     -2.855752      6.625141
  O      -7.770284     -1.944425      7.412184
  C      -7.429099     -2.610377      5.134830
  C      -7.200642     -1.170893      4.766843
  C      -8.205166     -0.363163      4.214914
  C      -7.860183      0.944715      3.872097
  N      -6.643423      1.474495      4.012423
  C      -5.655465      0.705956      4.552504
  C      -5.935079     -0.631056      4.948953
  C      -7.074815     -4.344047      8.542347
  H      -9.982549      0.095408      6.152486
  H     -10.143776     -0.637391      7.757624
  H     -11.145275      0.791762      7.323428
  H      -7.789008     -0.297042      7.568168
  H      -5.630550     -0.621315      8.148967
  H      -3.460687      0.300513      8.979861
  H      -5.578882      6.587917      8.815905
  H      -7.030560      5.564422      8.764735
  H      -7.780413      4.945248      6.558862
  H      -7.197076      3.881599      4.360080
  H      -3.543612      5.429046      7.308548
  H      -7.427189      3.254894      8.567540
  H      -2.242460     -1.608835      8.694321
  H      -3.682555     -2.576730      9.136006
  H      -2.070638     -3.354388      9.000906
  H      -1.032043     -2.813134      6.817263
  H       0.358913     -3.186234      5.070305
  H       0.684554     -3.526392      2.621731
  H      -3.019509     -2.860346     -0.052632
  H      -4.801544     -3.066191     -0.105172
  H      -6.310304     -1.243428      0.597481
  H      -6.563396      1.067262      1.540640
  H      -2.023196     -0.820049      1.033986
  H      -3.921710     -3.123813      4.462256
  H      -5.844711     -7.085268     13.430256
  H      -5.325406     -5.433671     12.968000
  H      -7.054968     -5.778773     13.211003
  H      -6.706802     -4.656397     10.991831
  H      -6.483565     -7.683204      8.828571
  H      -6.888315     -7.527727      6.360763
  H      -8.358125     -2.995421      4.683533
  H      -6.627237     -3.237937      4.723664
  H      -9.212368     -0.744004      4.039851
  H      -8.617909      1.609456      3.439227
  H      -5.156334     -1.270238      5.358308
  H      -7.130103     -3.423228      9.128682
  N      -4.243995      4.192989      1.996525
  H      -4.753711      5.050404      2.222182
  H      -4.383992      3.941410      1.016136
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.954887519400
  N      -2.974607      4.206502      4.775988
  Mo     -3.757209      2.835457      3.349352
  N      -4.415059      1.248939      4.672414
  C      -3.432214      0.453713      5.397337
  C      -2.242949      1.297142      5.808858
  N      -1.640075      1.936151      4.635522
  C      -0.840212      3.128507      4.943470
  C      -1.728938      4.235649      5.500829
  C      -0.894870      0.998547      3.783529
  C      -1.018833      1.453095      2.327772
  N      -2.401384      1.763362      2.078908
  H      -1.203894      5.202807      5.396431
  H      -1.897480      4.088404      6.584233
  H      -0.386291      3.465503      4.000760
  H      -0.017723      2.894616      5.647051
  H      -0.627995      0.673136      1.653269
  H      -0.411144      2.355316      2.152829
  H      -1.350158      0.004132      3.881518
  H       0.161010      0.920554      4.105840
  H      -3.874516      0.041065      6.319839
  H      -3.097265     -0.420136      4.801533
  H      -2.586537      2.084156      6.492832
  H      -1.503738      0.675944      6.355628
  C     -10.268846      0.581269      7.180061
  C      -9.193086      1.500133      7.720812
  O      -9.411423      2.681292      7.998575
  N      -7.969380      0.890440      7.853350
  C      -6.773228      1.433993      8.337927
  C      -5.673228      0.567244      8.478515
  C      -4.454464      1.047550      8.945554
  C      -4.325226      2.390154      9.276233
  F      -3.101943      2.831723      9.670874
  C      -5.393308      3.284567      9.142783
  C      -5.241470      4.744527      9.443090
  O      -4.562559      5.148466     10.376436
  C      -5.942399      5.718568      8.483079
  C      -5.685429      5.315336      7.053004
  C      -6.733696      4.922846      6.201794
  C      -6.425434      4.298415      4.996371
  N      -5.164374      4.087638      4.615409
  C      -4.132375      4.564394      5.374018
  C      -4.366639      5.183406      6.617240
  C      -6.617070      2.786017      8.669571
  C      -2.596979     -2.537236      8.605572
  C      -2.926047     -2.829443      7.154656
  O      -4.077797     -2.981927      6.747594
  N      -1.815994     -2.898118      6.342677
  C      -1.732492     -3.125043      4.957139
  C      -0.444319     -3.236011      4.402449
  C      -0.276903     -3.435231      3.038293
  C      -1.397645     -3.503856      2.219935
  F      -1.185868     -3.725475      0.893658
  C      -2.695454     -3.391656      2.727261
  C      -3.956845     -3.430915      1.905427
  O      -4.983912     -3.889611      2.387759
  C      -3.968278     -2.744347      0.539377
  C      -4.148093     -1.268710      0.828423
  C      -5.443390     -0.723597      0.924151
  C      -5.587465      0.563983      1.428869
  N      -4.540661      1.302075      1.813032
  C      -3.268909      0.832933      1.623027
  C      -3.045427     -0.475834      1.140126
  C      -2.846156     -3.217838      4.114456
  C      -5.998903     -6.441888     12.728129
  C      -6.168648     -6.811261     11.266229
  O      -6.009559     -7.954857     10.843139
  N      -6.516761     -5.741912     10.466795
  C      -6.763295     -5.708643      9.083640
  C      -6.737948     -6.853330      8.262592
  C      -6.996111     -6.726386      6.901310
  C      -7.263662     -5.478906      6.351822
  F      -7.531549     -5.427664      5.022867
  C      -7.288635     -4.315375      7.135421
  C      -7.516791     -2.923243      6.640508
  O      -7.747532     -2.033740      7.459305
  C      -7.435234     -2.633065      5.155263
  C      -7.208020     -1.183421      4.820086
  C      -8.220481     -0.365366      4.299071
  C      -7.877474      0.944069      3.959725
  N      -6.656069      1.468239      4.077889
  C      -5.661446      0.694532      4.597485
  C      -5.938416     -0.646214      4.989213
  C      -7.043226     -4.468071      8.507970
  H     -10.071485      0.364955      6.119865
  H     -10.284025     -0.379964      7.715456
  H     -11.239760      1.078363      7.275445
  H      -7.919383     -0.099163      7.582228
  H      -5.778210     -0.483992      8.205416
  H      -3.591514      0.389483      9.045310
  H      -5.550561      6.717835      8.716786
  H      -7.023466      5.722772      8.693217
  H      -7.773885      5.022821      6.510920
  H      -7.197162      3.894082      4.342597
  H      -3.534321      5.480499      7.256888
  H      -7.471003      3.446208      8.554909
  H      -2.096204     -1.561056      8.698596
  H      -3.527909     -2.519606      9.180898
  H      -1.922964     -3.299407      9.024878
  H      -0.920388     -2.782657      6.810361
  H       0.434395     -3.172440      5.048249
  H       0.715009     -3.545193      2.599438
  H      -3.035728     -2.924076     -0.005653
  H      -4.818717     -3.140522     -0.028049
  H      -6.321190     -1.313593      0.663310
  H      -6.571312      1.007741      1.579842
  H      -2.034889     -0.880089      1.074950
  H      -3.851912     -3.139797      4.519707
  H      -5.743253     -7.344972     13.291625
  H      -5.198482     -5.697294     12.854786
  H      -6.925796     -6.009480     13.135425
  H      -6.614107     -4.845854     10.938149
  H      -6.519562     -7.823757      8.700182
  H      -6.994467     -7.601482      6.250498
  H      -8.372483     -3.002890      4.705017
  H      -6.640528     -3.251807      4.715140
  H      -9.232379     -0.740959      4.140486
  H      -8.640942      1.614494      3.546494
  H      -5.153020     -1.292587      5.374649
  H      -7.061913     -3.561130      9.116939
  N      -4.246944      4.141167      1.976397
  H      -4.752562      5.002656      2.187953
  H      -4.389280      3.875199      1.001515
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.952440203714
  N      -2.955909      4.208476      4.794572
  Mo     -3.742521      2.850078      3.357999
  N      -4.372476      1.239870      4.668668
  C      -3.375054      0.447830      5.377211
  C      -2.189706      1.296936      5.785997
  N      -1.605267      1.952267      4.612608
  C      -0.810874      3.146107      4.926394
  C      -1.702904      4.238032      5.507467
  C      -0.862436      1.030456      3.742404
  C      -1.002630      1.503065      2.293239
  N      -2.390091      1.807164      2.060014
  H      -1.186272      5.210853      5.410737
  H      -1.859246      4.074785      6.590479
  H      -0.369598      3.498725      3.983460
  H       0.020577      2.909646      5.618173
  H      -0.612308      0.735140      1.605263
  H      -0.402311      2.411915      2.125030
  H      -1.311198      0.032185      3.832002
  H       0.197504      0.955158      4.054260
  H      -3.805399      0.020702      6.298920
  H      -3.036636     -0.416327      4.769467
  H      -2.533129      2.073729      6.481413
  H      -1.439545      0.676401      6.318578
  C     -10.190043      0.542750      7.126113
  C      -9.122153      1.456083      7.696328
  O      -9.358988      2.625147      8.021951
  N      -7.890288      0.854558      7.808695
  C      -6.700893      1.394037      8.308790
  C      -5.593448      0.532640      8.429078
  C      -4.379954      1.010589      8.911171
  C      -4.262354      2.347704      9.274454
  F      -3.043156      2.790434      9.679171
  C      -5.338162      3.237349      9.160636
  C      -5.198159      4.694327      9.485615
  O      -4.514197      5.089766     10.418426
  C      -5.902341      5.677870      8.537080
  C      -5.653516      5.283795      7.103434
  C      -6.706662      4.896418      6.256303
  C      -6.405114      4.284238      5.043059
  N      -5.145858      4.080591      4.651069
  C      -4.110375      4.551911      5.407201
  C      -4.337755      5.156287      6.658683
  C      -6.557010      2.739774      8.674366
  C      -3.148402     -2.497916      8.483106
  C      -3.355693     -2.785073      7.010267
  O      -4.471343     -2.912332      6.512563
  N      -2.180328     -2.866174      6.293325
  C      -1.985395     -3.097370      4.920771
  C      -0.659053     -3.198062      4.463571
  C      -0.390781     -3.391375      3.113323
  C      -1.448714     -3.464726      2.213613
  F      -1.137524     -3.675185      0.903495
  C      -2.781397     -3.369031      2.628562
  C      -3.989270     -3.406107      1.730346
  O      -5.033670     -3.884879      2.144538
  C      -3.945029     -2.665674      0.392527
  C      -4.127645     -1.202483      0.741056
  C      -5.422832     -0.666066      0.855790
  C      -5.570726      0.602711      1.403257
  N      -4.527537      1.337631      1.799877
  C      -3.255986      0.879547      1.593966
  C      -3.029348     -0.417030      1.081349
  C      -3.030939     -3.204374      3.999563
  C      -6.073867     -6.390822     12.877621
  C      -6.159449     -6.776983     11.413512
  O      -5.938920     -7.916058     11.008262
  N      -6.500488     -5.725971     10.589278
  C      -6.675724     -5.709080      9.195058
  C      -6.571254     -6.856459      8.385063
  C      -6.765745     -6.746096      7.011289
  C      -7.047758     -5.511954      6.439301
  F      -7.250118     -5.475442      5.098347
  C      -7.149528     -4.346393      7.211318
  C      -7.402833     -2.966698      6.694511
  O      -7.690393     -2.075974      7.499948
  C      -7.299278     -2.695713      5.205628
  C      -7.110690     -1.245426      4.849249
  C      -8.139745     -0.462422      4.307590
  C      -7.827247      0.850647      3.949910
  N      -6.619189      1.406871      4.065224
  C      -5.608772      0.664418      4.599083
  C      -5.856972     -0.673395      5.014472
  C      -6.967379     -4.482539      8.595898
  H      -9.997110      0.369807      6.056097
  H     -10.189076     -0.435912      7.624662
  H     -11.166091      1.021833      7.244945
  H      -7.829809     -0.125009      7.504971
  H      -5.687333     -0.513089      8.130117
  H      -3.511076      0.355985      8.996514
  H      -5.508142      6.675832      8.776342
  H      -6.983059      5.680611      8.752566
  H      -7.745066      4.992956      6.572776
  H      -7.180638      3.888758      4.388958
  H      -3.501795      5.450567      7.294749
  H      -7.415468      3.396410      8.572331
  H      -2.643398     -1.530969      8.618787
  H      -4.123355     -2.466702      8.978233
  H      -2.526611     -3.271293      8.956700
  H      -1.325731     -2.754116      6.831814
  H       0.169207     -3.126185      5.172624
  H       0.630971     -3.489884      2.748189
  H      -2.996137     -2.827751     -0.129455
  H      -4.779002     -3.032641     -0.218858
  H      -6.298261     -1.249950      0.575455
  H      -6.554914      1.038577      1.565294
  H      -2.017645     -0.812927      0.999175
  H      -4.060850     -3.141453      4.328433
  H      -5.816724     -7.279184     13.460211
  H      -5.306665     -5.618892     13.036296
  H      -7.031933     -5.987801     13.234824
  H      -6.650954     -4.831313     11.047872
  H      -6.342530     -7.816093      8.840626
  H      -6.702293     -7.623680      6.368394
  H      -8.216147     -3.102009      4.742363
  H      -6.475987     -3.296932      4.790826
  H      -9.141335     -0.865501      4.150534
  H      -8.604781      1.495683      3.522876
  H      -5.058422     -1.290327      5.418720
  H      -7.053193     -3.574805      9.196157
  N      -4.254556      4.170172      2.007327
  H      -4.763671      5.023975      2.233654
  H      -4.403956      3.915940      1.030092
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.955080464866
  N      -2.970280      4.199766      4.783452
  Mo     -3.757455      2.832741      3.355221
  N      -4.409975      1.240191      4.672821
  C      -3.424691      0.444216      5.393761
  C      -2.235098      1.287746      5.804495
  N      -1.636553      1.930645      4.630929
  C      -0.835299      3.121557      4.940285
  C      -1.722097      4.226589      5.504293
  C      -0.893544      0.996593      3.773295
  C      -1.020008      1.459167      2.319901
  N      -2.403723      1.769623      2.075496
  H      -1.197171      5.194165      5.401589
  H      -1.887084      4.075502      6.587795
  H      -0.384410      3.461760      3.997347
  H      -0.010682      2.884975      5.640326
  H      -0.629970      0.683097      1.640741
  H      -0.412955      2.362698      2.148493
  H      -1.349393      0.001629      3.867160
  H       0.163160      0.916481      4.093563
  H      -3.864689      0.028324      6.316090
  H      -3.089703     -0.427304      4.794834
  H      -2.577430      2.072413      6.491660
  H      -1.493496      0.665710      6.347118
  C     -10.257891      0.583287      7.157113
  C      -9.177686      1.496720      7.700071
  O      -9.395053      2.675605      7.992023
  N      -7.954499      0.883148      7.827126
  C      -6.758568      1.420534      8.317914
  C      -5.659479      0.551760      8.452487
  C      -4.441386      1.026723      8.927099
  C      -4.312055      2.366526      9.271600
  F      -3.089758      2.803783      9.673474
  C      -5.379395      3.263045      9.144785
  C      -5.227575      4.721014      9.457635
  O      -4.544911      5.117904     10.391567
  C      -5.925402      5.703173      8.503476
  C      -5.673154      5.304497      7.071576
  C      -6.724326      4.916804      6.222146
  C      -6.420303      4.295438      5.014160
  N      -5.160461      4.082871      4.629474
  C      -4.125747      4.556018      5.386376
  C      -4.355874      5.171279      6.632101
  C      -6.601990      2.769845      8.662999
  C      -2.697221     -2.551244      8.604474
  C      -3.003205     -2.840916      7.148323
  O      -4.147295     -3.003974      6.727056
  N      -1.882114     -2.885560      6.349042
  C      -1.777228     -3.099350      4.963279
  C      -0.480184     -3.181615      4.424693
  C      -0.291505     -3.370252      3.061837
  C      -1.400409     -3.456520      2.229085
  F      -1.167626     -3.664520      0.903967
  C      -2.706723     -3.371831      2.720584
  C      -3.955805     -3.430208      1.880354
  O      -4.976928     -3.918669      2.342586
  C      -3.962885     -2.732890      0.518806
  C      -4.146578     -1.259365      0.815089
  C      -5.442458     -0.719092      0.918946
  C      -5.588231      0.565099      1.430818
  N      -4.542619      1.304000      1.814948
  C      -3.270704      0.839980      1.617320
  C      -3.045657     -0.464744      1.125936
  C      -2.878110     -3.208938      4.106457
  C      -5.976959     -6.403909     12.746885
  C      -6.152476     -6.784852     11.289094
  O      -5.991110     -7.930610     10.873660
  N      -6.502860     -5.721825     10.483186
  C      -6.751132     -5.697988      9.100227
  C      -6.729247     -6.848179      8.287133
  C      -6.989516     -6.730150      6.925239
  C      -7.256473     -5.486185      6.367625
  F      -7.527260     -5.442518      5.038933
  C      -7.279050     -4.317956      7.143215
  C      -7.507013     -2.929055      6.639121
  O      -7.743325     -2.034314      7.452670
  C      -7.420932     -2.648921      5.151548
  C      -7.195262     -1.200609      4.810579
  C      -8.207787     -0.387104      4.283093
  C      -7.866872      0.922286      3.941241
  N      -6.647878      1.450540      4.064976
  C      -5.653630      0.681390      4.591808
  C      -5.927742     -0.659779      4.982505
  C      -7.030381     -4.461253      8.516238
  H     -10.068964      0.379927      6.092755
  H     -10.268636     -0.383232      7.680454
  H     -11.227971      1.078570      7.265892
  H      -7.906298     -0.103977      7.546485
  H      -5.763733     -0.497221      8.169275
  H      -3.578902      0.366694      9.022327
  H      -5.528227      6.699853      8.740503
  H      -7.006219      5.711387      8.715738
  H      -7.763477      5.017763      6.534455
  H      -7.194703      3.895822      4.361050
  H      -3.521414      5.465571      7.270135
  H      -7.455014      3.431780      8.552523
  H      -2.203123     -1.573523      8.708200
  H      -3.636071     -2.540469      9.166578
  H      -2.026197     -3.311291      9.030237
  H      -0.994287     -2.758842      6.828120
  H       0.388622     -3.104634      5.082356
  H       0.707666     -3.458096      2.635235
  H      -3.027164     -2.906708     -0.023069
  H      -4.809932     -3.127662     -0.055554
  H      -6.319451     -1.310486      0.659003
  H      -6.572322      1.005016      1.587436
  H      -2.034384     -0.864812      1.053519
  H      -3.888932     -3.152096      4.499758
  H      -5.717846     -7.301712     13.316022
  H      -5.177084     -5.657500     12.864112
  H      -6.901987     -5.970039     13.154419
  H      -6.599240     -4.822806     10.948539
  H      -6.511110     -7.815708      8.730998
  H      -6.990198     -7.609391      6.280512
  H      -8.356066     -3.023294      4.699213
  H      -6.622137     -3.269029      4.718848
  H      -9.218161     -0.765733      4.122065
  H      -8.630224      1.589388      3.522626
  H      -5.141592     -1.303541      5.370546
  H      -7.046812     -3.550175      9.118356
  N      -4.253016      4.142751      1.988378
  H      -4.757530      5.002887      2.204318
  H      -4.397771      3.880603      1.012786
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.955121949337
  N      -2.965732      4.196998      4.765203
  Mo     -3.747717      2.825985      3.337528
  N      -4.398067      1.234957      4.657559
  C      -3.412891      0.438106      5.377126
  C      -2.224404      1.282731      5.788335
  N      -1.627039      1.929045      4.616103
  C      -0.829353      3.121942      4.928315
  C      -1.719672      4.225747      5.489437
  C      -0.879364      0.998371      3.758656
  C      -1.003295      1.463641      2.306359
  N      -2.387543      1.769268      2.059427
  H      -1.195974      5.194012      5.387904
  H      -1.887458      4.075113      6.572498
  H      -0.376201      3.463058      3.986808
  H      -0.006400      2.886915      5.630837
  H      -0.608464      0.690690      1.626362
  H      -0.399285      2.369723      2.138696
  H      -1.332253      0.001954      3.849104
  H       0.176444      0.920614      4.081625
  H      -3.852537      0.022360      6.299698
  H      -3.078467     -0.433327      4.777849
  H      -2.567928      2.066007      6.476642
  H      -1.481647      0.661418      6.330048
  C     -10.284458      0.582201      7.241952
  C      -9.196706      1.502837      7.754840
  O      -9.401701      2.694452      8.001448
  N      -7.978615      0.882898      7.901341
  C      -6.778547      1.425271      8.376158
  C      -5.684543      0.553640      8.532284
  C      -4.462731      1.032592      8.992425
  C      -4.325330      2.378875      9.304394
  F      -3.100543      2.817812      9.696178
  C      -5.387817      3.278433      9.156637
  C      -5.228588      4.741326      9.440339
  O      -4.551602      5.151449     10.371734
  C      -5.929536      5.710771      8.475224
  C      -5.674466      5.301710      7.046678
  C      -6.723844      4.906007      6.198673
  C      -6.417004      4.281193      4.993207
  N      -5.156178      4.073593      4.608923
  C      -4.123214      4.552486      5.365144
  C      -4.356295      5.170578      6.609002
  C      -6.613452      2.781427      8.686993
  C      -2.793171     -2.625287      8.580112
  C      -3.067482     -2.878429      7.111686
  O      -4.201132     -3.034728      6.661774
  N      -1.928770     -2.907477      6.336564
  C      -1.793788     -3.101068      4.950363
  C      -0.486299     -3.153340      4.434272
  C      -0.270618     -3.323771      3.072752
  C      -1.363422     -3.422355      2.219369
  F      -1.104157     -3.612748      0.896156
  C      -2.679129     -3.367686      2.689360
  C      -3.914200     -3.446605      1.829863
  O      -4.931069     -3.961040      2.274632
  C      -3.920047     -2.735620      0.476466
  C      -4.112122     -1.265413      0.784524
  C      -5.411167     -0.732475      0.889089
  C      -5.564806      0.549197      1.405856
  N      -4.524009      1.293274      1.794303
  C      -3.249209      0.836252      1.597769
  C      -3.016186     -0.465711      1.101523
  C      -2.877073     -3.222399      4.073127
  C      -5.967478     -6.415359     12.751940
  C      -6.138255     -6.787260     11.290508
  O      -5.971733     -7.929735     10.867525
  N      -6.496588     -5.721475     10.491565
  C      -6.744318     -5.690584      9.108412
  C      -6.717754     -6.836211      8.288971
  C      -6.977171     -6.711678      6.927461
  C      -7.248157     -5.465452      6.376815
  F      -7.513002     -5.413351      5.047163
  C      -7.275814     -4.301918      7.158874
  C      -7.506656     -2.911941      6.660082
  O      -7.738721     -2.018223      7.475207
  C      -7.427326     -2.631533      5.172817
  C      -7.197579     -1.184653      4.830015
  C      -8.210647     -0.365443      4.311848
  C      -7.865953      0.942758      3.968504
  N      -6.641954      1.462790      4.077673
  C      -5.646286      0.685735      4.590758
  C      -5.925276     -0.651563      4.988995
  C      -7.027514     -4.451393      8.531092
  H     -10.098646      0.347201      6.183455
  H     -10.302512     -0.370175      7.793426
  H     -11.249759      1.088857      7.338555
  H      -7.938896     -0.113026      7.652365
  H      -5.795003     -0.500998      8.275935
  H      -3.603873      0.369943      9.101731
  H      -5.536543      6.711157      8.703359
  H      -7.010647      5.717165      8.686489
  H      -7.763585      5.004432      6.510069
  H      -7.189914      3.874938      4.341982
  H      -3.523218      5.470291      7.246512
  H      -7.463370      3.445296      8.561806
  H      -2.291672     -1.655515      8.718026
  H      -3.745001     -2.617853      9.119906
  H      -2.139482     -3.403301      9.003363
  H      -1.052146     -2.783355      6.836272
  H       0.369212     -3.067068      5.108382
  H       0.737352     -3.387924      2.662857
  H      -2.981985     -2.900222     -0.064286
  H      -4.762689     -3.130235     -0.103352
  H      -6.284817     -1.326778      0.624001
  H      -6.551808      0.983842      1.559922
  H      -2.002207     -0.858732      1.026769
  H      -3.895344     -3.192922      4.449664
  H      -5.704196     -7.315546     13.315347
  H      -5.171545     -5.665853     12.875719
  H      -6.895919     -5.989060     13.161377
  H      -6.598820     -4.826091     10.962949
  H      -6.495667     -7.805404      8.727612
  H      -6.973070     -7.587157      6.277686
  H      -8.366032     -3.001830      4.726273
  H      -6.634164     -3.255345      4.736116
  H      -9.224742     -0.738202      4.160423
  H      -8.629596      1.614408      3.557374
  H      -5.138920     -1.299588      5.369738
  H      -7.048628     -3.543790      9.138394
  N      -4.245673      4.133848      1.968769
  H      -4.751366      4.994025      2.184569
  H      -4.387016      3.872295      0.992561
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.955397901565
  N      -2.966710      4.195439      4.776886
  Mo     -3.754126      2.828673      3.347649
  N      -4.404264      1.235598      4.664704
  C      -3.419282      0.435054      5.379861
  C      -2.228346      1.275986      5.790915
  N      -1.633406      1.925271      4.619178
  C      -0.832608      3.115094      4.934855
  C      -1.719901      4.218955      5.500176
  C      -0.888175      0.997190      3.756526
  C      -1.011588      1.471544      2.306868
  N      -2.396210      1.778819      2.062099
  H      -1.193889      5.186315      5.401178
  H      -1.887149      4.065460      6.583009
  H      -0.379261      3.458380      3.994307
  H      -0.009832      2.875426      5.635962
  H      -0.616958      0.702768      1.622178
  H      -0.407139      2.378330      2.144604
  H      -1.343111      0.001020      3.841380
  H       0.167634      0.915235      4.079091
  H      -3.858357      0.016890      6.301624
  H      -3.087791     -0.434802      4.777026
  H      -2.568629      2.057585      6.482756
  H      -1.484859      0.651766      6.328267
  C     -10.260540      0.590121      7.175474
  C      -9.175231      1.502602      7.709241
  O      -9.382679      2.689432      7.975525
  N      -7.955995      0.882409      7.846071
  C      -6.758409      1.418551      8.334250
  C      -5.662957      0.546943      8.479030
  C      -4.444813      1.020505      8.955237
  C      -4.311336      2.362194      9.289923
  F      -3.089543      2.797469      9.694626
  C      -5.374648      3.262059      9.151453
  C      -5.219104      4.721587      9.454552
  O      -4.540081      5.121911     10.389047
  C      -5.918368      5.701105      8.498455
  C      -5.667858      5.300995      7.066592
  C      -6.719930      4.911581      6.219179
  C      -6.417049      4.289292      5.011399
  N      -5.157662      4.078348      4.624398
  C      -4.122084      4.552525      5.379668
  C      -4.351153      5.168275      6.625441
  C      -6.597446      2.769839      8.669690
  C      -2.869512     -2.724431      8.558890
  C      -3.119109     -2.936259      7.079102
  O      -4.244510     -3.087962      6.606764
  N      -1.968617     -2.940631      6.321177
  C      -1.814457     -3.103680      4.933342
  C      -0.501328     -3.114526      4.427911
  C      -0.270118     -3.254838      3.065370
  C      -1.353402     -3.364898      2.201082
  F      -1.079716     -3.524386      0.877286
  C      -2.673737     -3.350919      2.661350
  C      -3.900848     -3.449076      1.792610
  O      -4.904497     -3.999907      2.222850
  C      -3.917305     -2.719768      0.448808
  C      -4.114221     -1.253352      0.772495
  C      -5.414774     -0.727732      0.889189
  C      -5.571500      0.549855      1.414844
  N      -4.532791      1.297585      1.801459
  C      -3.257209      0.846800      1.596901
  C      -3.020987     -0.450276      1.089760
  C      -2.886608     -3.235439      4.044838
  C      -5.979650     -6.376579     12.799874
  C      -6.126729     -6.752953     11.337417
  O      -5.933266     -7.892238     10.917930
  N      -6.499105     -5.695472     10.533915
  C      -6.732894     -5.670510      9.148276
  C      -6.682443     -6.817133      8.331386
  C      -6.930263     -6.698951      6.967004
  C      -7.213068     -5.457693      6.411337
  F      -7.462433     -5.410237      5.078184
  C      -7.264322     -4.293460      7.190878
  C      -7.507621     -2.908299      6.685362
  O      -7.754518     -2.013610      7.495349
  C      -7.419512     -2.635504      5.196287
  C      -7.195685     -1.189900      4.844402
  C      -8.209177     -0.379909      4.313211
  C      -7.868684      0.927863      3.963034
  N      -6.647822      1.454589      4.075717
  C      -5.651470      0.684874      4.598249
  C      -5.926826     -0.650170      5.005080
  C      -7.027429     -4.436474      8.565814
  H     -10.077553      0.384310      6.110708
  H     -10.272005     -0.375651      7.700648
  H     -11.228260      1.088958      7.288008
  H      -7.913576     -0.107933      7.576057
  H      -5.769783     -0.503866      8.203667
  H      -3.585801      0.357595      9.059851
  H      -5.521301      6.698369      8.733191
  H      -6.999028      5.709642      8.711917
  H      -7.758700      5.011040      6.533304
  H      -7.192358      3.887070      4.360699
  H      -3.516000      5.463597      7.262202
  H      -7.447822      3.433992      8.551395
  H      -2.359365     -1.765263      8.733570
  H      -3.831434     -2.720846      9.080718
  H      -2.233283     -3.521342      8.972313
  H      -1.099936     -2.818112      6.835089
  H       0.345984     -3.018902      5.110991
  H       0.742475     -3.286163      2.663085
  H      -2.981460     -2.873745     -0.099263
  H      -4.761077     -3.113142     -0.130683
  H      -6.287210     -1.324136      0.624967
  H      -6.559747      0.978485      1.576247
  H      -2.005531     -0.836695      1.004957
  H      -3.908151     -3.240282      4.413238
  H      -5.704153     -7.270703     13.367303
  H      -5.200380     -5.610902     12.931024
  H      -6.920854     -5.969216     13.198433
  H      -6.623326     -4.801905     11.003255
  H      -6.451016     -7.782263      8.773978
  H      -6.907216     -7.575436      6.319003
  H      -8.353188     -3.014141      4.745629
  H      -6.619518     -3.258019      4.769514
  H      -9.219689     -0.759632      4.155570
  H      -8.632725      1.592443      3.541505
  H      -5.139251     -1.291963      5.393627
  H      -7.068024     -3.528261      9.171315
  N      -4.254552      4.139836      1.983193
  H      -4.757671      5.000305      2.202080
  H      -4.396861      3.881434      1.006205
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.955562839715
  N      -2.964396      4.193967      4.773802
  Mo     -3.759199      2.827749      3.347585
  N      -4.399284      1.230242      4.662196
  C      -3.408605      0.431364      5.372122
  C      -2.215977      1.273419      5.776414
  N      -1.630740      1.926824      4.601829
  C      -0.828713      3.116029      4.916965
  C      -1.713674      4.217012      5.490271
  C      -0.888863      1.004193      3.730362
  C      -1.018334      1.488743      2.284369
  N      -2.405505      1.791930      2.047584
  H      -1.189116      5.185246      5.391227
  H      -1.874974      4.060240      6.573610
  H      -0.380403      3.462708      3.975346
  H      -0.002365      2.874243      5.613043
  H      -0.623442      0.726418      1.592797
  H      -0.417626      2.398767      2.126201
  H      -1.343346      0.007498      3.810114
  H       0.168269      0.920204      4.048598
  H      -3.841557      0.011665      6.296002
  H      -3.078942     -0.437368      4.766813
  H      -2.552550      2.052952      6.472446
  H      -1.467061      0.649596      6.306674
  C     -10.242670      0.583171      7.192698
  C      -9.151923      1.494225      7.718621
  O      -9.357942      2.679343      7.992789
  N      -7.933413      0.871222      7.848850
  C      -6.732252      1.402469      8.333437
  C      -5.637913      0.527926      8.467346
  C      -4.415790      0.996220      8.939468
  C      -4.277449      2.336378      9.280553
  F      -3.053098      2.767139      9.682039
  C      -5.340167      3.238959      9.153876
  C      -5.182968      4.696423      9.467245
  O      -4.489872      5.090757     10.394548
  C      -5.887717      5.682704      8.521942
  C      -5.649172      5.290400      7.085936
  C      -6.707255      4.903805      6.244747
  C      -6.412658      4.285302      5.032879
  N      -5.156069      4.075026      4.636694
  C      -4.115681      4.548335      5.385333
  C      -4.336063      5.161214      6.633935
  C      -6.566353      2.751681      8.675909
  C      -2.999340     -2.782312      8.551192
  C      -3.210765     -2.977838      7.062708
  O      -4.322380     -3.144590      6.562918
  N      -2.044917     -2.943555      6.329222
  C      -1.859554     -3.077741      4.941783
  C      -0.538283     -3.027431      4.459994
  C      -0.277597     -3.134542      3.099715
  C      -1.339947     -3.272593      2.214103
  F      -1.038634     -3.390777      0.892329
  C      -2.667127     -3.321115      2.650604
  C      -3.874193     -3.455394      1.758483
  O      -4.860604     -4.053204      2.163532
  C      -3.896322     -2.711143      0.422805
  C      -4.105764     -1.248546      0.756294
  C      -5.410770     -0.739347      0.894719
  C      -5.575651      0.533726      1.428931
  N      -4.541228      1.292484      1.804950
  C      -3.263279      0.856310      1.583524
  C      -3.018815     -0.433881      1.063865
  C      -2.909496     -3.238236      4.031329
  C      -6.001389     -6.318948     12.830413
  C      -6.132998     -6.711186     11.370996
  O      -5.910112     -7.848822     10.962190
  N      -6.517267     -5.667258     10.555539
  C      -6.737627     -5.657504      9.167524
  C      -6.671869     -6.811626      8.362693
  C      -6.909867     -6.709054      6.995357
  C      -7.196019     -5.475514      6.424542
  F      -7.438471     -5.446068      5.089571
  C      -7.260065     -4.303228      7.191774
  C      -7.503215     -2.922075      6.673562
  O      -7.760789     -2.023915      7.476544
  C      -7.402467     -2.654886      5.183730
  C      -7.181697     -1.209606      4.826771
  C      -8.193952     -0.406017      4.283946
  C      -7.854412      0.900071      3.926457
  N      -6.637522      1.433362      4.049910
  C      -5.643660      0.672461      4.589792
  C      -5.916356     -0.663827      4.995911
  C      -7.036167     -4.431711      8.570285
  H     -10.076065      0.390557      6.122651
  H     -10.242226     -0.388070      7.705985
  H     -11.210556      1.076916      7.325979
  H      -7.894824     -0.118611      7.575572
  H      -5.749380     -0.521562      8.187923
  H      -3.558144      0.330052      9.038161
  H      -5.486810      6.677830      8.759123
  H      -6.966518      5.692025      8.744162
  H      -7.743689      5.000972      6.566961
  H      -7.192332      3.884764      4.386665
  H      -3.496434      5.455807      7.265011
  H      -7.415885      3.417854      8.566314
  H      -2.493290     -1.826407      8.753412
  H      -3.974643     -2.785472      9.047776
  H      -2.375650     -3.585385      8.969598
  H      -1.190120     -2.806432      6.862382
  H       0.292136     -2.907448      5.159580
  H       0.742245     -3.115873      2.715481
  H      -2.958856     -2.853299     -0.126789
  H      -4.736534     -3.108385     -0.159719
  H      -6.279887     -1.345200      0.641210
  H      -6.567001      0.948401      1.607986
  H      -2.000069     -0.806732      0.962819
  H      -3.936526     -3.289545      4.380250
  H      -5.710399     -7.201997     13.407293
  H      -5.238714     -5.536158     12.958378
  H      -6.952650     -5.927983     13.220190
  H      -6.660203     -4.772060     11.016180
  H      -6.438240     -7.770704      8.816848
  H      -6.876979     -7.592207      6.356860
  H      -8.330685     -3.039604      4.725794
  H      -6.595394     -3.275237      4.769059
  H      -9.202040     -0.789795      4.120932
  H      -8.617521      1.559650      3.495766
  H      -5.129686     -1.302002      5.390636
  H      -7.089409     -3.518147      9.166852
  N      -4.273976      4.139513      1.989162
  H      -4.778066      4.997486      2.213329
  H      -4.419913      3.883920      1.012101
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.955727483880
  N      -2.969937      4.197006      4.752687
  Mo     -3.763514      2.820479      3.335540
  N      -4.388274      1.224232      4.657840
  C      -3.389386      0.430231      5.362134
  C      -2.197793      1.278822      5.757115
  N      -1.624507      1.936643      4.578931
  C      -0.827812      3.130853      4.890247
  C      -1.716601      4.228172      5.464525
  C      -0.880069      1.019953      3.703432
  C      -1.016182      1.508369      2.259502
  N      -2.407035      1.799048      2.027842
  H      -1.197576      5.199059      5.361905
  H      -1.873396      4.072624      6.548721
  H      -0.384156      3.478809      3.946974
  H       0.001855      2.893921      5.583981
  H      -0.616107      0.751952      1.564529
  H      -0.423937      2.424121      2.102748
  H      -1.329292      0.020789      3.781258
  H       0.178256      0.940410      4.019080
  H      -3.813572      0.011597      6.290629
  H      -3.060880     -0.438731      4.756650
  H      -2.533618      2.056454      6.455668
  H      -1.441276      0.659486      6.281846
  C     -10.232337      0.587367      7.214824
  C      -9.135954      1.496434      7.733090
  O      -9.340263      2.679762      8.016232
  N      -7.916530      0.872821      7.849592
  C      -6.711028      1.402319      8.324419
  C      -5.613814      0.528996      8.441704
  C      -4.386803      0.996959      8.901783
  C      -4.246687      2.335856      9.248261
  F      -3.018186      2.767281      9.635633
  C      -5.312733      3.236985      9.138581
  C      -5.156607      4.694052      9.453410
  O      -4.454139      5.089703     10.372868
  C      -5.874847      5.677736      8.515683
  C      -5.646355      5.285074      7.078167
  C      -6.707737      4.887458      6.246134
  C      -6.417123      4.266142      5.034539
  N      -5.161942      4.063251      4.629973
  C      -4.119936      4.546579      5.369501
  C      -4.335875      5.162993      6.617072
  C      -6.543270      2.749806      8.672162
  C      -3.093398     -2.809111      8.546731
  C      -3.271829     -2.993605      7.052256
  O      -4.371533     -3.166623      6.528601
  N      -2.092855     -2.937810      6.342099
  C      -1.879373     -3.055353      4.956915
  C      -0.552164     -2.956933      4.499645
  C      -0.263529     -3.041156      3.143346
  C      -1.304221     -3.205329      2.237006
  F      -0.976143     -3.294367      0.919247
  C      -2.636328     -3.305825      2.648520
  C      -3.822212     -3.474125      1.732795
  O      -4.792658     -4.112668      2.114198
  C      -3.846555     -2.719974      0.402561
  C      -4.073440     -1.261011      0.740032
  C      -5.384531     -0.771051      0.890665
  C      -5.563692      0.499086      1.427404
  N      -4.537812      1.272022      1.797966
  C      -3.256009      0.853478      1.567393
  C      -2.996920     -0.430639      1.040502
  C      -2.906883     -3.244231      4.025410
  C      -6.016957     -6.363374     12.838483
  C      -6.148617     -6.744948     11.376391
  O      -5.918273     -7.877551     10.958095
  N      -6.539825     -5.696705     10.569592
  C      -6.760632     -5.677013      9.181649
  C      -6.702335     -6.826487      8.369843
  C      -6.941503     -6.714137      7.003441
  C      -7.220904     -5.475527      6.440212
  F      -7.465336     -5.438005      5.105781
  C      -7.276055     -4.307281      7.214395
  C      -7.505145     -2.919654      6.706285
  O      -7.752174     -2.025703      7.517548
  C      -7.415679     -2.642099      5.217601
  C      -7.188239     -1.196144      4.865683
  C      -8.202978     -0.381504      4.344290
  C      -7.858286      0.922594      3.984810
  N      -6.634349      1.444253      4.085990
  C      -5.637051      0.672981      4.604548
  C      -5.914920     -0.661956      5.014077
  C      -7.052745     -4.446022      8.592024
  H     -10.085715      0.412479      6.138790
  H     -10.217629     -0.391336      7.712555
  H     -11.199961      1.074260      7.373417
  H      -7.880724     -0.115900      7.571106
  H      -5.727258     -0.519047      8.158569
  H      -3.526790      0.331737      8.986891
  H      -5.476020      6.674590      8.749075
  H      -6.951616      5.682006      8.747761
  H      -7.742501      4.977511      6.575638
  H      -7.198503      3.856890      4.395727
  H      -3.493820      5.465552      7.241075
  H      -7.394817      3.415223      8.574421
  H      -2.583747     -1.859919      8.770555
  H      -4.079916     -2.808777      9.020660
  H      -2.487862     -3.622414      8.971905
  H      -1.250741     -2.790843      6.892669
  H       0.260910     -2.813627      5.214976
  H       0.761805     -2.982124      2.778161
  H      -2.905098     -2.850896     -0.143736
  H      -4.679836     -3.124373     -0.185173
  H      -6.247121     -1.388834      0.643601
  H      -6.559584      0.899182      1.613310
  H      -1.973576     -0.786826      0.928593
  H      -3.938379     -3.331443      4.354491
  H      -5.718637     -7.248966     13.407836
  H      -5.259493     -5.576257     12.971045
  H      -6.970131     -5.982261     13.233088
  H      -6.685785     -4.805626     11.037199
  H      -6.473931     -7.789728      8.817775
  H      -6.914947     -7.593729      6.359747
  H      -8.351418     -3.017031      4.766290
  H      -6.616887     -3.265339      4.793001
  H      -9.216942     -0.755980      4.196901
  H      -8.623286      1.590325      3.570489
  H      -5.127129     -1.309821      5.389821
  H      -7.099585     -3.535892      9.194363
  N      -4.297472      4.124094      1.976910
  H      -4.808705      4.977438      2.202082
  H      -4.444434      3.866026      1.000574
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.955932405571
  N      -2.977010      4.201391      4.744805
  Mo     -3.769721      2.821109      3.330344
  N      -4.383682      1.221458      4.652530
  C      -3.379975      0.429621      5.351702
  C      -2.190262      1.282125      5.743691
  N      -1.624646      1.945631      4.564720
  C      -0.831102      3.142161      4.876723
  C      -1.722194      4.235894      5.454030
  C      -0.878992      1.034915      3.684025
  C      -1.018085      1.530870      2.242998
  N      -2.411038      1.814450      2.014196
  H      -1.206624      5.208601      5.351748
  H      -1.876432      4.078457      6.538268
  H      -0.390006      3.492981      3.933393
  H       0.000362      2.906431      5.568674
  H      -0.613985      0.780757      1.543543
  H      -0.431224      2.450733      2.090964
  H      -1.325837      0.034222      3.757071
  H       0.179665      0.956111      3.998373
  H      -3.799223      0.007883      6.281364
  H      -3.050395     -0.436773      4.743430
  H      -2.526138      2.056672      6.445631
  H      -1.429103      0.664522      6.263570
  C     -10.234367      0.602018      7.236779
  C      -9.136148      1.506312      7.758547
  O      -9.331500      2.695926      8.021529
  N      -7.921321      0.876069      7.885820
  C      -6.713325      1.404082      8.355204
  C      -5.618694      0.528063      8.475716
  C      -4.387870      0.995438      8.925424
  C      -4.242099      2.335813      9.261687
  F      -3.009993      2.766144      9.638279
  C      -5.305887      3.239414      9.150350
  C      -5.143777      4.698096      9.453190
  O      -4.442696      5.098164     10.371454
  C      -5.872021      5.676884      8.517987
  C      -5.648389      5.281915      7.080312
  C      -6.711647      4.879654      6.252905
  C      -6.423601      4.258551      5.040586
  N      -5.169326      4.059252      4.631031
  C      -4.126230      4.546599      5.366065
  C      -4.339262      5.163215      6.614217
  C      -6.539975      2.753067      8.692675
  C      -3.120709     -2.896129      8.511966
  C      -3.285440     -3.043774      7.012234
  O      -4.379783     -3.207009      6.474964
  N      -2.099851     -2.975748      6.314624
  C      -1.873007     -3.066943      4.929741
  C      -0.544558     -2.934364      4.486848
  C      -0.242052     -2.990796      3.132196
  C      -1.270588     -3.161690      2.213494
  F      -0.927430     -3.222903      0.897360
  C      -2.603987     -3.298225      2.610448
  C      -3.778221     -3.481349      1.681298
  O      -4.735603     -4.149721      2.045169
  C      -3.811878     -2.707863      0.362726
  C      -4.052047     -1.255039      0.715759
  C      -5.367762     -0.781841      0.881107
  C      -5.557803      0.483699      1.425253
  N      -4.538262      1.266894      1.792813
  C      -3.253552      0.863343      1.552311
  C      -2.983327     -0.413793      1.013986
  C      -2.888042     -3.263414      3.985840
  C      -6.072952     -6.349621     12.878473
  C      -6.180926     -6.730591     11.413917
  O      -5.940859     -7.862199     10.997975
  N      -6.575232     -5.686270     10.603497
  C      -6.781897     -5.668870      9.213211
  C      -6.713555     -6.819567      8.403781
  C      -6.937014     -6.709038      7.034549
  C      -7.212949     -5.471561      6.466956
  F      -7.437952     -5.434034      5.129104
  C      -7.279694     -4.303105      7.238642
  C      -7.502189     -2.917405      6.723466
  O      -7.749672     -2.017659      7.528348
  C      -7.402875     -2.648731      5.234702
  C      -7.176514     -1.204628      4.875552
  C      -8.194862     -0.393282      4.355564
  C      -7.854338      0.910426      3.991448
  N      -6.630764      1.433989      4.085380
  C      -5.629879      0.665848      4.601748
  C      -5.902950     -0.668310      5.016678
  C      -7.069007     -4.439009      8.618495
  H     -10.084659      0.427956      6.160896
  H     -10.226543     -0.378151      7.733925
  H     -11.199918      1.093867      7.391960
  H      -7.890897     -0.115622      7.617834
  H      -5.736626     -0.520900      8.199842
  H      -3.528560      0.329081      9.007777
  H      -5.475875      6.675716      8.747376
  H      -6.947662      5.677447      8.755495
  H      -7.745605      4.967423      6.585754
  H      -7.206367      3.847575      4.404600
  H      -3.495723      5.469754      7.234351
  H      -7.390004      3.420590      8.593165
  H      -2.596053     -1.962636      8.764655
  H      -4.112042     -2.889696      8.975486
  H      -2.535541     -3.732000      8.923612
  H      -1.263591     -2.835755      6.875842
  H       0.258846     -2.784965      5.211799
  H       0.785160     -2.904369      2.777801
  H      -2.870108     -2.825128     -0.186001
  H      -4.641835     -3.113344     -0.228629
  H      -6.225308     -1.407762      0.636411
  H      -6.557139      0.871625      1.618799
  H      -1.956569     -0.756028      0.890373
  H      -3.920522     -3.375316      4.304281
  H      -5.775102     -7.233351     13.450776
  H      -5.324031     -5.556491     13.022466
  H      -7.034813     -5.976767     13.260670
  H      -6.733483     -4.796359     11.069504
  H      -6.487057     -7.781750      8.855169
  H      -6.900127     -7.589026      6.391954
  H      -8.335544     -3.027436      4.780850
  H      -6.600040     -3.273476      4.819543
  H      -9.209234     -0.769323      4.214916
  H      -8.622069      1.575301      3.577267
  H      -5.112020     -1.314151      5.391478
  H      -7.120606     -3.527686      9.218412
  N      -4.317572      4.122360      1.974731
  H      -4.835465      4.971216      2.203259
  H      -4.464289      3.865660      0.998021
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.956106286077
  N      -2.985142      4.202515      4.740504
  Mo     -3.777179      2.818609      3.328817
  N      -4.381782      1.215493      4.649924
  C      -3.373585      0.424337      5.342474
  C      -2.185764      1.280161      5.733381
  N      -1.627145      1.950658      4.554722
  C      -0.836251      3.148661      4.868737
  C      -1.729391      4.239200      5.448405
  C      -0.880334      1.046512      3.668347
  C      -1.021480      1.551166      2.230481
  N      -2.416546      1.827542      2.003705
  H      -1.216446      5.213388      5.347223
  H      -1.882330      4.079517      6.532498
  H      -0.396467      3.502301      3.925966
  H      -0.003869      2.913146      5.559592
  H      -0.612898      0.807856      1.526432
  H      -0.439946      2.475222      2.084111
  H      -1.326005      0.044855      3.735274
  H       0.178532      0.967036      3.981980
  H      -3.788152     -0.002494      6.272127
  H      -3.042461     -0.438213      4.729829
  H      -2.521777      2.050705      6.439593
  H      -1.420449      0.663274      6.247761
  C     -10.236151      0.608325      7.261931
  C      -9.136574      1.511886      7.782247
  O      -9.331693      2.701227      8.047355
  N      -7.922561      0.880601      7.910635
  C      -6.712378      1.409394      8.373077
  C      -5.615798      0.534614      8.484896
  C      -4.381919      1.003551      8.924174
  C      -4.234852      2.344259      9.258077
  F      -2.999859      2.776446      9.623154
  C      -5.300494      3.246367      9.155992
  C      -5.137690      4.705362      9.456258
  O      -4.422918      5.107608     10.363025
  C      -5.869721      5.681673      8.521250
  C      -5.650699      5.281152      7.084175
  C      -6.715949      4.875569      6.260958
  C      -6.430769      4.252715      5.048909
  N      -5.177633      4.054351      4.635112
  C      -4.133258      4.544736      5.365702
  C      -4.342877      5.162640      6.613986
  C      -6.538232      2.758274      8.710150
  C      -3.104329     -2.950301      8.489422
  C      -3.263823     -3.082842      6.987874
  O      -4.355112     -3.254429      6.447076
  N      -2.078040     -2.995574      6.293506
  C      -1.847434     -3.065344      4.908269
  C      -0.521729     -2.894764      4.471453
  C      -0.213491     -2.930961      3.117548
  C      -1.234538     -3.117049      2.193984
  F      -0.884523     -3.155706      0.878199
  C      -2.565896     -3.289409      2.584114
  C      -3.731714     -3.488145      1.647069
  O      -4.675622     -4.181218      1.998932
  C      -3.776193     -2.700920      0.336787
  C      -4.029987     -1.253314      0.698979
  C      -5.350252     -0.798232      0.879416
  C      -5.552053      0.462938      1.429361
  N      -4.539456      1.257427      1.792367
  C      -3.252046      0.870105      1.541146
  C      -2.969862     -0.399652      0.991819
  C      -2.854795     -3.277088      3.959229
  C      -6.115812     -6.339387     12.903744
  C      -6.227246     -6.725176     11.440786
  O      -5.987898     -7.857955     11.027591
  N      -6.618550     -5.682294     10.627059
  C      -6.822464     -5.668740      9.236391
  C      -6.768391     -6.824269      8.432654
  C      -6.988812     -6.717164      7.062646
  C      -7.248986     -5.479076      6.488899
  F      -7.473226     -5.444932      5.150961
  C      -7.301964     -4.306424      7.254502
  C      -7.506785     -2.920899      6.732040
  O      -7.738744     -2.013401      7.533520
  C      -7.398860     -2.658616      5.243187
  C      -7.169433     -1.215800      4.880773
  C      -8.191061     -0.403925      4.367934
  C      -7.852598      0.898592      3.998626
  N      -6.628745      1.422078      4.085627
  C      -5.625429      0.655587      4.599551
  C      -5.894200     -0.680033      5.013197
  C      -7.092468     -4.438130      8.635160
  H     -10.096887      0.448176      6.182402
  H     -10.219381     -0.377748      7.747259
  H     -11.202221      1.094285      7.431865
  H      -7.893262     -0.111557      7.644553
  H      -5.735225     -0.514305      8.209390
  H      -3.520368      0.339137      8.997149
  H      -5.472061      6.681042      8.745724
  H      -6.944374      5.683717      8.762796
  H      -7.749151      4.963419      6.596196
  H      -7.215256      3.841730      4.415138
  H      -3.497704      5.472734      7.230123
  H      -7.390093      3.424532      8.618589
  H      -2.571523     -2.025324      8.755070
  H      -4.097166     -2.940695      8.949615
  H      -2.530007     -3.797407      8.893971
  H      -1.244845     -2.850775      6.858092
  H       0.275574     -2.732512      5.200291
  H       0.812497     -2.816209      2.767586
  H      -2.833608     -2.806780     -0.212950
  H      -4.602758     -3.110065     -0.257009
  H      -6.201940     -1.434059      0.639613
  H      -6.554773      0.837466      1.631869
  H      -1.939770     -0.727185      0.856737
  H      -3.885515     -3.413265      4.273689
  H      -5.816874     -7.221381     13.478069
  H      -5.366843     -5.545622     13.043780
  H      -7.076813     -5.965246     13.286840
  H      -6.772591     -4.789830     11.089605
  H      -6.554214     -7.787118      8.888639
  H      -6.962408     -7.600519      6.424188
  H      -8.330602     -3.036667      4.786869
  H      -6.594358     -3.286319      4.834918
  H      -9.207257     -0.778719      4.237514
  H      -8.622518      1.562817      3.587299
  H      -5.100261     -1.326610      5.381776
  H      -7.130340     -3.522987      9.230122
  N      -4.339630      4.116260      1.975964
  H      -4.866946      4.958677      2.206932
  H      -4.485419      3.859850      0.998975
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.956231691825
  N      -2.993704      4.212897      4.731218
  Mo     -3.786552      2.823878      3.324581
  N      -4.372861      1.215519      4.645314
  C      -3.355368      0.427408      5.327316
  C      -2.169820      1.289313      5.712723
  N      -1.624946      1.969008      4.532790
  C      -0.838760      3.170127      4.847217
  C      -1.734768      4.254239      5.433570
  C      -0.877702      1.074646      3.637008
  C      -1.027488      1.589121      2.203729
  N      -2.426310      1.853922      1.984299
  H      -1.227425      5.231385      5.332928
  H      -1.882347      4.090574      6.517830
  H      -0.404545      3.528652      3.903823
  H      -0.002467      2.936298      5.533830
  H      -0.614622      0.854770      1.492863
  H      -0.454819      2.519327      2.062049
  H      -1.319288      0.071043      3.697842
  H       0.182663      0.996872      3.946087
  H      -3.760590     -0.005730      6.258200
  H      -3.022915     -0.430554      4.709048
  H      -2.504857      2.054751      6.424963
  H      -1.396495      0.674996      6.217933
  C     -10.232260      0.622217      7.266185
  C      -9.128318      1.516683      7.792918
  O      -9.318820      2.704559      8.067932
  N      -7.917056      0.879300      7.916916
  C      -6.702069      1.401604      8.374753
  C      -5.607220      0.522882      8.472751
  C      -4.369315      0.984747      8.907527
  C      -4.215452      2.323415      9.247047
  F      -2.976342      2.749595      9.605441
  C      -5.278698      3.229662      9.157438
  C      -5.108184      4.687632      9.459158
  O      -4.387553      5.086108     10.363139
  C      -5.853534      5.667606      8.537844
  C      -5.645625      5.274921      7.096901
  C      -6.715604      4.864773      6.281983
  C      -6.437081      4.244444      5.067175
  N      -5.186411      4.052028      4.643251
  C      -4.138935      4.548338      5.365111
  C      -4.341339      5.164960      6.615170
  C      -6.521691      2.747609      8.719756
  C      -3.157986     -3.038436      8.467634
  C      -3.299547     -3.161376      6.963629
  O      -4.380991     -3.359856      6.411797
  N      -2.110098     -3.034485      6.281468
  C      -1.863338     -3.072201      4.897411
  C      -0.538599     -2.851786      4.480080
  C      -0.212147     -2.859759      3.129993
  C      -1.215606     -3.062331      2.191097
  F      -0.848172     -3.069777      0.879242
  C      -2.546334     -3.277224      2.560813
  C      -3.693525     -3.488130      1.604136
  O      -4.622666     -4.212687      1.928919
  C      -3.736897     -2.683900      0.303879
  C      -4.006920     -1.242787      0.677731
  C      -5.332076     -0.809351      0.875775
  C      -5.547563      0.445530      1.434854
  N      -4.543337      1.254002      1.790851
  C      -3.253134      0.887318      1.524445
  C      -2.957210     -0.373996      0.963163
  C      -2.852102     -3.299091      3.932420
  C      -6.180401     -6.312379     12.950318
  C      -6.269410     -6.703782     11.487415
  O      -6.014177     -7.835443     11.080797
  N      -6.660198     -5.667355     10.665131
  C      -6.843671     -5.660640      9.271677
  C      -6.782053     -6.820938      8.475211
  C      -6.984477     -6.720986      7.101954
  C      -7.234398     -5.485578      6.518002
  F      -7.442527     -5.458683      5.177515
  C      -7.294009     -4.308352      7.276029
  C      -7.489769     -2.925167      6.744083
  O      -7.729562     -2.014000      7.539137
  C      -7.373002     -2.670452      5.254907
  C      -7.148367     -1.227975      4.888462
  C      -8.176591     -0.419220      4.384079
  C      -7.844906      0.883607      4.009489
  N      -6.622503      1.411582      4.089476
  C      -5.613719      0.649502      4.599449
  C      -5.873405     -0.688843      5.009410
  C      -7.102095     -4.432761      8.659913
  H     -10.106922      0.489160      6.181262
  H     -10.207348     -0.375222      7.727084
  H     -11.197325      1.101624      7.459263
  H      -7.891997     -0.111054      7.644588
  H      -5.732314     -0.523831      8.191400
  H      -3.509427      0.316797      8.970912
  H      -5.457263      6.667052      8.764301
  H      -6.925937      5.664370      8.788853
  H      -7.746385      4.945199      6.626372
  H      -7.224762      3.829714      4.439646
  H      -3.492756      5.479222      7.224422
  H      -7.372189      3.416853      8.638986
  H      -2.629841     -2.115316      8.748085
  H      -4.155969     -3.035869      8.916771
  H      -2.587796     -3.888872      8.871057
  H      -1.286919     -2.874872      6.856527
  H       0.244214     -2.675312      5.221260
  H       0.814143     -2.709022      2.794967
  H      -2.789004     -2.776655     -0.239621
  H      -4.554854     -3.095405     -0.300145
  H      -6.176447     -1.457267      0.642401
  H      -6.553887      0.803096      1.650425
  H      -1.923628     -0.683491      0.813276
  H      -3.881988     -3.469624      4.232130
  H      -5.878359     -7.189121     13.530949
  H      -5.442925     -5.509176     13.097274
  H      -7.150438     -5.948556     13.320270
  H      -6.826356     -4.774044     11.121797
  H      -6.576254     -7.781784      8.939138
  H      -6.952324     -7.608005      6.468835
  H      -8.299283     -3.055383      4.793324
  H      -6.561375     -3.295734      4.857403
  H      -9.193085     -0.796698      4.264229
  H      -8.619469      1.544481      3.601440
  H      -5.073890     -1.334347      5.366634
  H      -7.145263     -3.513985      9.248789
  N      -4.373898      4.116308      1.977610
  H      -4.912719      4.949875      2.213565
  H      -4.521133      3.860227      1.000770
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.956335999265
  N      -3.008362      4.218003      4.724674
  Mo     -3.799702      2.820960      3.324790
  N      -4.367239      1.209132      4.647505
  C      -3.339934      0.425523      5.319927
  C      -2.157375      1.294989      5.699163
  N      -1.626456      1.983115      4.517580
  C      -0.846593      3.188502      4.831726
  C      -1.747063      4.265873      5.422754
  C      -0.877223      1.098433      3.613702
  C      -1.036319      1.619809      2.184102
  N      -2.439068      1.870795      1.971358
  H      -1.246145      5.246307      5.322072
  H      -1.890237      4.099323      6.507188
  H      -0.417565      3.551190      3.887624
  H      -0.006697      2.958169      5.515057
  H      -0.618290      0.893812      1.467726
  H      -0.473857      2.556621      2.045607
  H      -1.313147      0.092424      3.669823
  H       0.184687      1.024624      3.918496
  H      -3.735629     -0.013535      6.252009
  H      -3.005352     -0.428251      4.696886
  H      -2.492278      2.055863      6.416421
  H      -1.375476      0.684797      6.195948
  C     -10.223354      0.621858      7.290615
  C      -9.119253      1.512664      7.823216
  O      -9.311398      2.697419      8.109789
  N      -7.905361      0.877918      7.933644
  C      -6.686699      1.401905      8.380705
  C      -5.587161      0.526925      8.458023
  C      -4.346374      0.990273      8.883332
  C      -4.193869      2.327322      9.230614
  F      -2.952215      2.755882      9.577508
  C      -5.261344      3.230063      9.159475
  C      -5.092185      4.688024      9.462234
  O      -4.360786      5.088318     10.356824
  C      -5.849092      5.665422      8.547456
  C      -5.649744      5.271457      7.105513
  C      -6.723158      4.851570      6.300069
  C      -6.449619      4.228596      5.085533
  N      -5.201081      4.042631      4.652642
  C      -4.151574      4.548069      5.364992
  C      -4.348365      5.167488      6.614594
  C      -6.507759      2.745853      8.733967
  C      -3.126043     -3.041448      8.439123
  C      -3.260520     -3.168097      6.934728
  O      -4.337335     -3.381248      6.378948
  N      -2.071717     -3.027632      6.255078
  C      -1.824651     -3.059846      4.871178
  C      -0.503025     -2.820000      4.453770
  C      -0.176193     -2.826495      3.103863
  C      -1.177303     -3.044297      2.165912
  F      -0.809313     -3.053715      0.854218
  C      -2.505460     -3.274013      2.535606
  C      -3.647372     -3.496577      1.576198
  O      -4.563446     -4.241802      1.890842
  C      -3.699870     -2.679748      0.284015
  C      -3.985233     -1.244513      0.667417
  C      -5.314818     -0.832620      0.882524
  C      -5.544286      0.416457      1.448878
  N      -4.549061      1.239611      1.796405
  C      -3.256290      0.893460      1.515971
  C      -2.946216     -0.360535      0.945344
  C      -2.810549     -3.301466      3.907009
  C      -6.274446     -6.321588     12.982569
  C      -6.346847     -6.711021     11.518375
  O      -6.088184     -7.842421     11.113317
  N      -6.731930     -5.674558     10.693236
  C      -6.900176     -5.667353      9.297930
  C      -6.842418     -6.829350      8.503499
  C      -7.030881     -6.729480      7.128319
  C      -7.262910     -5.492567      6.540404
  F      -7.457199     -5.465537      5.197841
  C      -7.317616     -4.313369      7.296219
  C      -7.496027     -2.929382      6.760042
  O      -7.731232     -2.014589      7.552252
  C      -7.369678     -2.678960      5.270684
  C      -7.141364     -1.237642      4.902385
  C      -8.172022     -0.426660      4.407041
  C      -7.841164      0.875070      4.028364
  N      -6.617963      1.401691      4.101980
  C      -5.606928      0.639264      4.607091
  C      -5.863999     -0.701420      5.012673
  C      -7.140550     -4.437761      8.682332
  H     -10.118278      0.524844      6.199765
  H     -10.179239     -0.389056      7.718955
  H     -11.189819      1.084291      7.516016
  H      -7.878409     -0.109598      7.652087
  H      -5.712421     -0.518148      8.169791
  H      -3.483292      0.325213      8.933413
  H      -5.455128      6.666570      8.770078
  H      -6.919538      5.657700      8.806155
  H      -7.751783      4.925618      6.652160
  H      -7.239456      3.806347      4.465508
  H      -3.497318      5.488971      7.216515
  H      -7.361778      3.412142      8.668625
  H      -2.590102     -2.123594      8.722064
  H      -4.126662     -3.030139      8.882585
  H      -2.567652     -3.897626      8.846563
  H      -1.251334     -2.856900      6.830824
  H       0.276934     -2.630380      5.194787
  H       0.847950     -2.663033      2.768327
  H      -2.749997     -2.759935     -0.258503
  H      -4.512752     -3.095241     -0.324138
  H      -6.151314     -1.493232      0.656383
  H      -6.553898      0.756834      1.677419
  H      -1.909561     -0.652546      0.782346
  H      -3.837475     -3.489421      4.207955
  H      -5.975405     -7.198151     13.565072
  H      -5.541873     -5.515604     13.138570
  H      -7.249775     -5.962043     13.342641
  H      -6.901358     -4.780997     11.148201
  H      -6.650688     -7.791589      8.970421
  H      -7.001452     -7.617700      6.496676
  H      -8.292833     -3.064400      4.803464
  H      -6.555527     -3.305860      4.882245
  H      -9.190045     -0.802579      4.295923
  H      -8.616925      1.536157      3.623079
  H      -5.062362     -1.349938      5.358444
  H      -7.181365     -3.517780      9.269822
  N      -4.413090      4.104471      1.981301
  H      -4.964406      4.928762      2.220420
  H      -4.560973      3.846286      1.005175
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.956421504949
  N      -3.009393      4.210568      4.734940
  Mo     -3.796824      2.814309      3.331684
  N      -4.363447      1.198819      4.648903
  C      -3.335443      0.411917      5.316364
  C      -2.153536      1.280671      5.700205
  N      -1.624649      1.977326      4.522743
  C      -0.847114      3.182066      4.845610
  C      -1.750679      4.255722      5.438189
  C      -0.871632      1.100391      3.614129
  C      -1.027835      1.632279      2.188342
  N      -2.431471      1.878043      1.973382
  H      -1.250039      5.237007      5.344304
  H      -1.898278      4.083778      6.521218
  H      -0.414728      3.549434      3.904875
  H      -0.009636      2.949067      5.530974
  H      -0.604070      0.913923      1.467678
  H      -0.469575      2.572833      2.058798
  H      -1.306983      0.093676      3.660519
  H       0.189401      1.025210      3.921651
  H      -3.730897     -0.033616      6.245528
  H      -2.999944     -0.437878      4.688227
  H      -2.488913      2.036760      6.422327
  H      -1.369779      0.668984      6.192109
  C     -10.226410      0.629215      7.291081
  C      -9.122971      1.516664      7.830517
  O      -9.315985      2.699845      8.122910
  N      -7.908648      0.882314      7.938658
  C      -6.689799      1.407650      8.384320
  C      -5.586997      0.536092      8.453312
  C      -4.346041      1.001899      8.875216
  C      -4.197077      2.338117      9.228381
  F      -2.955758      2.769591      9.572803
  C      -5.268200      3.237359      9.165735
  C      -5.103086      4.695328      9.470975
  O      -4.359758      5.097126     10.354786
  C      -5.854355      5.671429      8.550124
  C      -5.653314      5.269715      7.110353
  C      -6.726071      4.847149      6.305464
  C      -6.451440      4.220268      5.093086
  N      -5.202620      4.034290      4.660853
  C      -4.153831      4.541003      5.373163
  C      -4.351614      5.162423      6.621644
  C      -6.514294      2.750530      8.742580
  C      -3.202790     -3.101528      8.397730
  C      -3.313175     -3.214638      6.890263
  O      -4.379017     -3.435413      6.316212
  N      -2.116002     -3.053460      6.229574
  C      -1.848179     -3.071364      4.849059
  C      -0.522935     -2.814259      4.452547
  C      -0.176648     -2.805458      3.107391
  C      -1.162186     -3.027063      2.153543
  F      -0.775432     -3.027779      0.847456
  C      -2.492754     -3.273793      2.502928
  C      -3.616811     -3.502870      1.525000
  O      -4.527573     -4.263469      1.817583
  C      -3.662114     -2.667285      0.244644
  C      -3.956367     -1.239157      0.647000
  C      -5.288557     -0.838481      0.866917
  C      -5.526599      0.403840      1.444719
  N      -4.537198      1.232139      1.796873
  C      -3.242378      0.896936      1.513832
  C      -2.923542     -0.351179      0.934414
  C      -2.817435     -3.315511      3.868939
  C      -6.241849     -6.288763     13.002565
  C      -6.318081     -6.682761     11.539871
  O      -6.045925     -7.811351     11.135997
  N      -6.719792     -5.652966     10.714158
  C      -6.891780     -5.650829      9.319246
  C      -6.832173     -6.815259      8.528676
  C      -7.024871     -6.721144      7.153685
  C      -7.262983     -5.487214      6.562155
  F      -7.458408     -5.465493      5.219707
  C      -7.320600     -4.305396      7.314370
  C      -7.507312     -2.923771      6.774358
  O      -7.727908     -2.005017      7.565918
  C      -7.378885     -2.677538      5.284186
  C      -7.146375     -1.237795      4.912548
  C      -8.176564     -0.421561      4.425279
  C      -7.841830      0.878653      4.044072
  N      -6.615615      1.399666      4.110550
  C      -5.605050      0.632239      4.608951
  C      -5.865842     -0.707816      5.013545
  C      -7.139495     -4.424394      8.700328
  H     -10.140331      0.568209      6.196041
  H     -10.164167     -0.393918      7.685963
  H     -11.193832      1.073724      7.546856
  H      -7.879693     -0.103754      7.652267
  H      -5.709706     -0.507805      8.160382
  H      -3.480921      0.339073      8.919802
  H      -5.457277      6.672196      8.768777
  H      -6.925425      5.668482      8.806117
  H      -7.755044      4.922974      6.656120
  H      -7.240973      3.796046      4.473970
  H      -3.501169      5.485764      7.223374
  H      -7.371001      3.413917      8.684092
  H      -2.663438     -2.191581      8.698950
  H      -4.211044     -3.086412      8.823674
  H      -2.659680     -3.966957      8.806160
  H      -1.306573     -2.875457      6.818449
  H       0.243627     -2.621227      5.206602
  H       0.850289     -2.628367      2.787829
  H      -2.706865     -2.735496     -0.290075
  H      -4.467190     -3.077922     -0.377104
  H      -6.120387     -1.502901      0.634760
  H      -6.538510      0.734865      1.676647
  H      -1.884963     -0.634625      0.768231
  H      -3.845125     -3.524196      4.153380
  H      -5.925040     -7.159013     13.585189
  H      -5.521388     -5.470664     13.151914
  H      -7.220537     -5.944192     13.368000
  H      -6.895579     -4.759735     11.167291
  H      -6.635300     -7.775119      8.998279
  H      -6.993307     -7.611398      6.525024
  H      -8.300602     -3.063385      4.814781
  H      -6.564370     -3.306918      4.901725
  H      -9.196759     -0.793237      4.320348
  H      -8.616332      1.542647      3.641318
  H      -5.064922     -1.360041      5.352663
  H      -7.184932     -3.502719      9.284808
  N      -4.418369      4.096335      1.990698
  H      -4.977179      4.915006      2.231286
  H      -4.561571      3.839502      1.013553
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.956518920127
  N      -3.011965      4.204317      4.744496
  Mo     -3.797462      2.810779      3.337158
  N      -4.360396      1.189165      4.647879
  C      -3.330834      0.399819      5.309439
  C      -2.149481      1.267839      5.696499
  N      -1.624233      1.973420      4.522615
  C      -0.848657      3.177536      4.853326
  C      -1.754454      4.246575      5.450383
  C      -0.869078      1.104550      3.607820
  C      -1.024895      1.647810      2.186292
  N      -2.429539      1.889249      1.971392
  H      -1.254645      5.228976      5.363464
  H      -1.904203      4.067950      6.532059
  H      -0.415167      3.550527      3.915350
  H      -0.012030      2.941685      5.538716
  H      -0.596924      0.937477      1.460188
  H      -0.470835      2.591971      2.065441
  H      -1.303751      0.096980      3.645154
  H       0.191659      1.028107      3.916111
  H      -3.724951     -0.052334      6.236239
  H      -2.994885     -0.445719      4.675803
  H      -2.484511      2.018678      6.424180
  H      -1.363316      0.654507      6.182413
  C     -10.229506      0.636295      7.275986
  C      -9.126950      1.519264      7.824230
  O      -9.321303      2.700189      8.125918
  N      -7.915065      0.881376      7.938782
  C      -6.696752      1.402946      8.390388
  C      -5.595698      0.529130      8.458395
  C      -4.353745      0.991819      8.880446
  C      -4.202589      2.326893      9.237142
  F      -2.960281      2.755448      9.581358
  C      -5.272122      3.228226      9.176468
  C      -5.102647      4.686270      9.479461
  O      -4.364561      5.087562     10.367734
  C      -5.856545      5.662734      8.560952
  C      -5.655362      5.262541      7.120707
  C      -6.728395      4.840739      6.315809
  C      -6.454062      4.214484      5.103014
  N      -5.205408      4.027708      4.670758
  C      -4.156632      4.533716      5.383064
  C      -4.353813      5.154922      6.631819
  C      -6.519121      2.744572      8.752098
  C      -3.213619     -3.123986      8.347970
  C      -3.310328     -3.239405      6.839974
  O      -4.368161     -3.477566      6.258656
  N      -2.111471     -3.057376      6.187266
  C      -1.835523     -3.069417      4.808369
  C      -0.510980     -2.798386      4.419542
  C      -0.158689     -2.777395      3.075953
  C      -1.137851     -3.002684      2.116178
  F      -0.745970     -2.990443      0.811463
  C      -2.467215     -3.265643      2.458614
  C      -3.584655     -3.498281      1.473983
  O      -4.486169     -4.274746      1.752808
  C      -3.633714     -2.647986      0.203482
  C      -3.937007     -1.227021      0.623163
  C      -5.271190     -0.837570      0.850395
  C      -5.516207      0.397913      1.439905
  N      -4.531599      1.230339      1.795712
  C      -3.235379      0.905737      1.507611
  C      -2.909453     -0.335844      0.918192
  C      -2.797874     -3.317549      3.822468
  C      -6.264097     -6.259469     13.046190
  C      -6.344194     -6.661528     11.585919
  O      -6.069501     -7.791209     11.186910
  N      -6.743985     -5.635170     10.755126
  C      -6.912125     -5.639067      9.359702
  C      -6.858829     -6.808000      8.575644
  C      -7.046737     -6.720066      7.199546
  C      -7.274229     -5.487770      6.600563
  F      -7.466140     -5.472329      5.257666
  C      -7.325779     -4.301406      7.346215
  C      -7.501228     -2.921203      6.797992
  O      -7.725218     -1.997753      7.583543
  C      -7.373097     -2.685228      5.305789
  C      -7.141494     -1.247803      4.924761
  C      -8.173988     -0.432301      4.440961
  C      -7.839946      0.865496      4.050965
  N      -6.613142      1.386210      4.109766
  C      -5.600938      0.620662      4.607297
  C      -5.859925     -0.718347      5.016044
  C      -7.150135     -4.414338      8.733564
  H     -10.160970      0.612813      6.178144
  H     -10.150676     -0.398649      7.635574
  H     -11.197277      1.062177      7.560726
  H      -7.886575     -0.104056      7.649937
  H      -5.719728     -0.513419      8.161982
  H      -3.489613      0.327543      8.922193
  H      -5.460730      6.663765      8.780697
  H      -6.927702      5.657668      8.816860
  H      -7.757354      4.917276      6.666392
  H      -7.243836      3.791517      4.483569
  H      -3.503197      5.477943      7.233476
  H      -7.374373      3.409971      8.694234
  H      -2.674968     -2.215306      8.653584
  H      -4.226136     -3.106957      8.763710
  H      -2.677123     -3.990919      8.762112
  H      -1.308791     -2.865530      6.781002
  H       0.249649     -2.601728      5.178583
  H       0.867733     -2.587717      2.762173
  H      -2.676678     -2.703050     -0.329388
  H      -4.434391     -3.056267     -0.425655
  H      -6.098868     -1.505630      0.613818
  H      -6.529693      0.719868      1.677516
  H      -1.869394     -0.611843      0.748193
  H      -3.824616     -3.537639      4.100509
  H      -5.942155     -7.125385     13.632214
  H      -5.546452     -5.437802     13.189046
  H      -7.242896     -5.916877     13.412925
  H      -6.916600     -4.738931     11.203454
  H      -6.670224     -7.766709      9.051000
  H      -7.019818     -7.613907      6.575895
  H      -8.292916     -3.076269      4.836858
  H      -6.556395     -3.316120      4.930586
  H      -9.195191     -0.803437      4.344221
  H      -8.615771      1.528156      3.648545
  H      -5.056986     -1.369366      5.354086
  H      -7.192560     -3.489475      9.313205
  N      -4.428633      4.093266      2.001061
  H      -4.994579      4.905983      2.244893
  H      -4.568976      3.838965      1.022852
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.956595697027
  N      -3.018083      4.198408      4.752554
  Mo     -3.800565      2.802366      3.345837
  N      -4.368870      1.182171      4.654621
  C      -3.342637      0.389428      5.316087
  C      -2.160327      1.254483      5.706917
  N      -1.633182      1.964356      4.536124
  C      -0.857641      3.167226      4.873298
  C      -1.764906      4.236658      5.466520
  C      -0.874427      1.098765      3.621015
  C      -1.022885      1.649581      2.201801
  N      -2.427060      1.888335      1.980259
  H      -1.262639      5.218289      5.385487
  H      -1.922495      4.055720      6.546719
  H      -0.417983      3.540616      3.938425
  H      -0.025490      2.928978      5.563276
  H      -0.588656      0.944781      1.473900
  H      -0.471602      2.596292      2.089593
  H      -1.311286      0.091843      3.650519
  H       0.184378      1.019260      3.934619
  H      -3.739787     -0.064654      6.240998
  H      -3.007193     -0.455243      4.681036
  H      -2.494836      2.003153      6.437072
  H      -1.374882      0.638732      6.190804
  C     -10.220737      0.652046      7.265551
  C      -9.122919      1.532580      7.825461
  O      -9.317664      2.715671      8.118225
  N      -7.912204      0.894814      7.949017
  C      -6.693987      1.419725      8.397628
  C      -5.590197      0.549071      8.460656
  C      -4.347115      1.015535      8.874469
  C      -4.198386      2.350674      9.230826
  F      -2.955381      2.782913      9.567645
  C      -5.271003      3.248568      9.176087
  C      -5.102401      4.707854      9.473330
  O      -4.370996      5.113516     10.365041
  C      -5.864402      5.679478      8.556018
  C      -5.662910      5.277130      7.116317
  C      -6.735930      4.853032      6.312366
  C      -6.461313      4.219864      5.103077
  N      -5.212378      4.026581      4.674422
  C      -4.163691      4.534681      5.385439
  C      -4.361134      5.165211      6.629389
  C      -6.518788      2.761393      8.758349
  C      -3.233722     -3.118038      8.336574
  C      -3.319072     -3.260369      6.830671
  O      -4.366268     -3.540671      6.249378
  N      -2.121547     -3.058027      6.180803
  C      -1.836957     -3.080109      4.803462
  C      -0.509662     -2.813125      4.423050
  C      -0.147584     -2.795348      3.082200
  C      -1.120245     -3.019592      2.115862
  F      -0.719509     -3.009490      0.813691
  C      -2.452520     -3.278876      2.449443
  C      -3.562113     -3.508076      1.454722
  O      -4.461955     -4.291359      1.718098
  C      -3.602824     -2.647140      0.191212
  C      -3.915669     -1.231272      0.620467
  C      -5.252575     -0.849856      0.846904
  C      -5.505379      0.381420      1.442335
  N      -4.525314      1.217364      1.802591
  C      -3.226912      0.900952      1.514858
  C      -2.892990     -0.337095      0.922603
  C      -2.793496     -3.327901      3.811130
  C      -6.195242     -6.265658     13.029069
  C      -6.304299     -6.665411     11.569771
  O      -6.052899     -7.798794     11.165551
  N      -6.714918     -5.636312     10.747641
  C      -6.910277     -5.639455      9.355746
  C      -6.887788     -6.809959      8.572771
  C      -7.098794     -6.721308      7.200104
  C      -7.320223     -5.486833      6.603436
  F      -7.535848     -5.470576      5.264717
  C      -7.343718     -4.298951      7.348073
  C      -7.511251     -2.917193      6.800675
  O      -7.715644     -1.991017      7.588020
  C      -7.395946     -2.683147      5.307403
  C      -7.158200     -1.246697      4.926849
  C      -8.188760     -0.424162      4.450563
  C      -7.848689      0.870740      4.056814
  N      -6.619067      1.385020      4.111556
  C      -5.609990      0.615795      4.609321
  C      -5.873058     -0.723833      5.013584
  C      -7.143934     -4.412411      8.732233
  H     -10.178953      0.683510      6.166655
  H     -10.114781     -0.397976      7.572558
  H     -11.189280      1.045813      7.591772
  H      -7.881886     -0.091914      7.665595
  H      -5.712410     -0.493389      8.164066
  H      -3.480543      0.354224      8.909097
  H      -5.472955      6.682616      8.773537
  H      -6.935290      5.669185      8.812824
  H      -7.765102      4.932743      6.661677
  H      -7.251267      3.794349      4.485500
  H      -3.510668      5.489286      7.230742
  H      -7.376392      3.424357      8.705410
  H      -2.694972     -2.205626      8.630443
  H      -4.250236     -3.092176      8.742384
  H      -2.703501     -3.979771      8.770149
  H      -1.326570     -2.840455      6.776028
  H       0.245674     -2.617621      5.187537
  H       0.881589     -2.608922      2.775533
  H      -2.639748     -2.692622     -0.331066
  H      -4.394118     -3.052551     -0.451252
  H      -6.075790     -1.521608      0.604967
  H      -6.520839      0.696443      1.681608
  H      -1.851185     -0.608663      0.754961
  H      -3.823141     -3.542900      4.081577
  H      -5.865144     -7.133434     13.607697
  H      -5.472812     -5.446281     13.159881
  H      -7.166302     -5.920779     13.414631
  H      -6.867849     -4.737711     11.198517
  H      -6.703407     -7.770598      9.046037
  H      -7.095011     -7.616200      6.577384
  H      -8.318767     -3.071117      4.842509
  H      -6.582767     -3.317696      4.930265
  H      -9.212495     -0.789544      4.359087
  H      -8.621884      1.536981      3.655049
  H      -5.070739     -1.379519      5.346078
  H      -7.163283     -3.486212      9.310953
  N      -4.438285      4.078497      2.006428
  H      -5.013946      4.885215      2.248000
  H      -4.571845      3.821645      1.028033
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.956688523982
  N      -3.019544      4.196077      4.755178
  Mo     -3.801443      2.798502      3.350048
  N      -4.363150      1.176618      4.658408
  C      -3.334359      0.384640      5.316646
  C      -2.151453      1.250008      5.704031
  N      -1.630744      1.964452      4.533137
  C      -0.857232      3.168402      4.872640
  C      -1.766327      4.234325      5.469258
  C      -0.871005      1.103835      3.613802
  C      -1.021541      1.662125      2.197563
  N      -2.426931      1.896205      1.977648
  H      -1.265760      5.217131      5.391736
  H      -1.923844      4.049590      6.548924
  H      -0.419086      3.545069      3.938477
  H      -0.024234      2.929941      5.561449
  H      -0.584197      0.963936      1.465180
  H      -0.474877      2.612099      2.091185
  H      -1.306152      0.095921      3.638826
  H       0.188045      1.024880      3.926713
  H      -3.728154     -0.069141      6.243066
  H      -3.000997     -0.460023      4.680570
  H      -2.483695      1.996208      6.437783
  H      -1.362603      0.634487      6.182751
  C     -10.225815      0.654296      7.280792
  C      -9.124023      1.535928      7.831215
  O      -9.314958      2.722725      8.111169
  N      -7.914405      0.896792      7.956498
  C      -6.693840      1.422479      8.397665
  C      -5.589556      0.552172      8.454519
  C      -4.344625      1.018381      8.863365
  C      -4.194601      2.353100      9.220929
  F      -2.950564      2.785578      9.553261
  C      -5.267861      3.250415      9.172858
  C      -5.099179      4.708733      9.475134
  O      -4.363724      5.111703     10.364469
  C      -5.860314      5.682572      8.559675
  C      -5.661653      5.279914      7.119726
  C      -6.735803      4.852687      6.318994
  C      -6.462572      4.215453      5.111453
  N      -5.214153      4.021797      4.681463
  C      -4.164931      4.533356      5.388593
  C      -4.360680      5.168209      6.630516
  C      -6.517267      2.763762      8.759421
  C      -3.285524     -3.154664      8.293892
  C      -3.348473     -3.292116      6.786316
  O      -4.382892     -3.588136      6.190308
  N      -2.146814     -3.066284      6.152335
  C      -1.845662     -3.081735      4.778535
  C      -0.516472     -2.803558      4.413566
  C      -0.140499     -2.774094      3.076682
  C      -1.101132     -2.998875      2.098498
  F      -0.688880     -2.971819      0.800472
  C      -2.434198     -3.272760      2.417090
  C      -3.532771     -3.507815      1.410595
  O      -4.421217     -4.309040      1.658168
  C      -3.577788     -2.632755      0.157082
  C      -3.900461     -1.223778      0.602462
  C      -5.238906     -0.853691      0.837269
  C      -5.497500      0.371154      1.443425
  N      -4.521761      1.211476      1.804912
  C      -3.222543      0.906104      1.510183
  C      -2.882656     -0.325534      0.908872
  C      -2.789499     -3.332184      3.774572
  C      -6.227575     -6.257373     13.062794
  C      -6.317534     -6.656609     11.602055
  O      -6.054045     -7.787911     11.199901
  N      -6.731931     -5.631208     10.777088
  C      -6.914286     -5.635008      9.383352
  C      -6.878091     -6.805030      8.600223
  C      -7.077695     -6.717216      7.225658
  C      -7.300778     -5.483805      6.627386
  F      -7.503453     -5.467310      5.286635
  C      -7.336861     -4.296630      7.372019
  C      -7.504496     -2.916189      6.822175
  O      -7.717905     -1.989660      7.606730
  C      -7.387726     -2.686409      5.328228
  C      -7.152216     -1.251006      4.942280
  C      -8.182014     -0.431773      4.458744
  C      -7.841804      0.861452      4.059653
  N      -6.612866      1.377048      4.114575
  C      -5.604532      0.611036      4.618651
  C      -5.867571     -0.726772      5.028978
  C      -7.149040     -4.409062      8.757984
  H     -10.218646      0.721121      6.182757
  H     -10.097004     -0.402838      7.551179
  H     -11.189586      1.024316      7.647287
  H      -7.886908     -0.092096      7.680597
  H      -5.712876     -0.490325      8.157875
  H      -3.477790      0.357222      8.892499
  H      -5.466846      6.685033      8.777030
  H      -6.930827      5.673649      8.817962
  H      -7.764238      4.931053      6.670743
  H      -7.253248      3.786169      4.497140
  H      -3.509333      5.494479      7.229468
  H      -7.375311      3.426667      8.711529
  H      -2.741250     -2.249796      8.600607
  H      -4.308639     -3.119029      8.682154
  H      -2.772848     -4.024502      8.732426
  H      -1.362966     -2.836141      6.757515
  H       0.229377     -2.608547      5.187458
  H       0.890414     -2.577334      2.782322
  H      -2.614051     -2.664310     -0.365202
  H      -4.364870     -3.036324     -0.491559
  H      -6.058275     -1.529162      0.592635
  H      -6.514002      0.677359      1.689888
  H      -1.839982     -0.589351      0.735475
  H      -3.820622     -3.555997      4.032262
  H      -5.889604     -7.120925     13.643347
  H      -5.518864     -5.427313     13.201115
  H      -7.207365     -5.928128     13.439946
  H      -6.895663     -4.734069     11.227080
  H      -6.692479     -7.764817      9.074765
  H      -7.063515     -7.611898      6.602820
  H      -8.307805     -3.079062      4.862243
  H      -6.571017     -3.320530      4.956455
  H      -9.205614     -0.797572      4.367963
  H      -8.614697      1.525439      3.653587
  H      -5.064702     -1.381025      5.362984
  H      -7.179771     -3.483361      9.337112
  N      -4.451921      4.071160      2.013287
  H      -5.032363      4.873662      2.256963
  H      -4.584776      3.814008      1.034801
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.956786068456
  N      -3.019848      4.184681      4.765712
  Mo     -3.802234      2.789235      3.359559
  N      -4.360954      1.164881      4.664503
  C      -3.330826      0.370997      5.318752
  C      -2.146073      1.234156      5.704814
  N      -1.629996      1.954241      4.535474
  C      -0.857260      3.157682      4.879614
  C      -1.767139      4.219970      5.480956
  C      -0.869897      1.098687      3.611408
  C      -1.021466      1.665495      2.198524
  N      -2.427499      1.897631      1.980116
  H      -1.266835      5.203386      5.409272
  H      -1.925702      4.029539      6.559627
  H      -0.419956      3.538785      3.946981
  H      -0.023960      2.916903      5.567147
  H      -0.582196      0.973862      1.461165
  H      -0.477674      2.617809      2.098999
  H      -1.304329      0.090464      3.631454
  H       0.189321      1.018974      3.923753
  H      -3.721860     -0.082849      6.245909
  H      -3.000826     -0.473319      4.680345
  H      -2.475185      1.976990      6.443402
  H      -1.355071      0.616787      6.177692
  C     -10.212953      0.651769      7.246871
  C      -9.114815      1.535642      7.801720
  O      -9.310015      2.723127      8.075377
  N      -7.906740      0.897492      7.943712
  C      -6.690655      1.425271      8.394705
  C      -5.586694      0.555485      8.461555
  C      -4.346121      1.021741      8.883707
  C      -4.199283      2.357156      9.240426
  F      -2.958380      2.791029      9.582555
  C      -5.272040      3.254138      9.181804
  C      -5.105359      4.712547      9.486278
  O      -4.375225      5.114522     10.380429
  C      -5.859377      5.687036      8.565716
  C      -5.660217      5.279461      7.127162
  C      -6.734983      4.850535      6.328219
  C      -6.462665      4.208150      5.123211
  N      -5.214662      4.012019      4.693749
  C      -4.164753      4.525369      5.398275
  C      -4.359136      5.165051      6.637916
  C      -6.518048      2.766916      8.758579
  C      -3.319357     -3.161390      8.265364
  C      -3.365821     -3.305581      6.757275
  O      -4.388670     -3.624515      6.153068
  N      -2.164840     -3.054486      6.132244
  C      -1.853221     -3.072142      4.761060
  C      -0.521276     -2.795947      4.404370
  C      -0.136893     -2.765448      3.069876
  C      -1.091315     -2.989143      2.085516
  F      -0.672896     -2.959684      0.789935
  C      -2.425663     -3.265072      2.396195
  C      -3.517320     -3.505296      1.382906
  O      -4.401572     -4.312296      1.625356
  C      -3.564466     -2.623735      0.134280
  C      -3.893014     -1.218383      0.588354
  C      -5.232127     -0.855545      0.829136
  C      -5.493621      0.363312      1.445952
  N      -4.520106      1.204381      1.810449
  C      -3.220596      0.907292      1.509088
  C      -2.877475     -0.318550      0.898521
  C      -2.790657     -3.323083      3.751120
  C      -6.212076     -6.238703     13.077444
  C      -6.307794     -6.642587     11.618513
  O      -6.034690     -7.771871     11.217476
  N      -6.728922     -5.620630     10.792596
  C      -6.912469     -5.626982      9.399047
  C      -6.873103     -6.797856      8.617304
  C      -7.076477     -6.712833      7.243072
  C      -7.305415     -5.481144      6.643488
  F      -7.510853     -5.466865      5.303135
  C      -7.343462     -4.293163      7.386538
  C      -7.516349     -2.914337      6.835018
  O      -7.717380     -1.985371      7.620255
  C      -7.402211     -2.686309      5.340176
  C      -7.160297     -1.252713      4.951294
  C      -8.184477     -0.432064      4.458816
  C      -7.838226      0.858948      4.058061
  N      -6.608107      1.370734      4.116802
  C      -5.604161      0.602891      4.627137
  C      -5.873814     -0.732890      5.041298
  C      -7.152473     -4.402748      8.772402
  H     -10.245016      0.775992      6.154305
  H     -10.052184     -0.413576      7.458285
  H     -11.173001      0.979681      7.661179
  H      -7.876243     -0.092515      7.672760
  H      -5.707150     -0.487692      8.164866
  H      -3.479692      0.360428      8.921811
  H      -5.462949      6.688798      8.781297
  H      -6.930421      5.682612      8.821767
  H      -7.763033      4.929980      6.680700
  H      -7.253867      3.776795      4.510717
  H      -3.507142      5.492217      7.235444
  H      -7.375225      3.430215      8.700754
  H      -2.765200     -2.264154      8.576707
  H      -4.346996     -3.108904      8.639569
  H      -2.826610     -4.037569      8.713140
  H      -1.390106     -2.806996      6.742194
  H       0.220310     -2.604245      5.183265
  H       0.896142     -2.569460      2.782438
  H      -2.600253     -2.646709     -0.388183
  H      -4.349014     -3.026435     -0.518025
  H      -6.049086     -1.532869      0.581701
  H      -6.510283      0.663245      1.699741
  H      -1.834603     -0.578312      0.721395
  H      -3.823340     -3.548683      4.001966
  H      -5.855019     -7.095283     13.656981
  H      -5.516540     -5.396350     13.208435
  H      -7.194314     -5.925850     13.461611
  H      -6.894418     -4.723276     11.241423
  H      -6.683010     -7.756296      9.092670
  H      -7.060514     -7.608415      6.621568
  H      -8.324775     -3.075508      4.876614
  H      -6.588861     -3.325021      4.967663
  H      -9.209202     -0.793886      4.365708
  H      -8.607207      1.524312      3.646975
  H      -5.074314     -1.388996      5.378441
  H      -7.185949     -3.476652      9.350862
  N      -4.463124      4.060814      2.026731
  H      -5.046902      4.859795      2.272790
  H      -4.595992      3.803820      1.048245
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.956893476105
  N      -3.024351      4.185829      4.765413
  Mo     -3.803724      2.788229      3.360889
  N      -4.360889      1.164673      4.666208
  C      -3.330176      0.372041      5.321040
  C      -2.145726      1.235694      5.706486
  N      -1.631356      1.957201      4.537462
  C      -0.860929      3.162032      4.882490
  C      -1.773105      4.222340      5.483066
  C      -0.868864      1.102923      3.614119
  C      -1.019417      1.670917      2.201632
  N      -2.425447      1.901088      1.981486
  H      -1.273815      5.206472      5.413791
  H      -1.933836      4.030503      6.561297
  H      -0.423777      3.544364      3.950359
  H      -0.027867      2.922358      5.570632
  H      -0.577732      0.981723      1.463529
  H      -0.477336      2.624489      2.104964
  H      -1.301781      0.094174      3.634058
  H       0.190165      1.024710      3.927710
  H      -3.720023     -0.079503      6.249624
  H      -3.001172     -0.473059      4.683318
  H      -2.474737      1.977181      6.446523
  H      -1.353733      0.618603      6.178106
  C     -10.199970      0.629737      7.264463
  C      -9.103534      1.525139      7.805044
  O      -9.308734      2.711974      8.074617
  N      -7.890164      0.897965      7.948460
  C      -6.678107      1.438451      8.394645
  C      -5.566004      0.578939      8.460426
  C      -4.329587      1.056755      8.882135
  C      -4.194394      2.394242      9.235639
  F      -2.956902      2.840733      9.574021
  C      -5.275038      3.281498      9.176325
  C      -5.120042      4.741430      9.480814
  O      -4.392693      5.147934     10.374990
  C      -5.869850      5.711138      8.551809
  C      -5.667716      5.295615      7.115910
  C      -6.741156      4.862547      6.317398
  C      -6.467136      4.212257      5.117001
  N      -5.218551      4.012779      4.691345
  C      -4.169630      4.530667      5.394226
  C      -4.365471      5.178448      6.629401
  C      -6.517653      2.782299      8.756988
  C      -3.328276     -3.174384      8.258423
  C      -3.366364     -3.324777      6.750191
  O      -4.381946     -3.661847      6.143526
  N      -2.167598     -3.056868      6.128517
  C      -1.851022     -3.080015      4.758779
  C      -0.514870     -2.819625      4.405271
  C      -0.127197     -2.792111      3.071486
  C      -1.081817     -3.004529      2.084796
  F      -0.661297     -2.980324      0.789816
  C      -2.419280     -3.267238      2.392584
  C      -3.510749     -3.499576      1.377009
  O      -4.398043     -4.303684      1.617618
  C      -3.551988     -2.619005      0.127879
  C      -3.883885     -1.213677      0.580615
  C      -5.223752     -0.853975      0.820084
  C      -5.487811      0.361939      1.441557
  N      -4.515988      1.202573      1.810455
  C      -3.215658      0.910202      1.507872
  C      -2.869553     -0.312945      0.893848
  C      -2.788865     -3.320224      3.746665
  C      -6.211455     -6.265749     13.075417
  C      -6.319282     -6.666225     11.616534
  O      -6.062888     -7.798299     11.212685
  N      -6.728297     -5.636778     10.793745
  C      -6.917991     -5.638178      9.401157
  C      -6.895724     -6.807923      8.616878
  C      -7.106214     -6.717898      7.244080
  C      -7.325121     -5.482619      6.648098
  F      -7.540382     -5.463510      5.309432
  C      -7.344238     -4.295622      7.393389
  C      -7.505272     -2.914051      6.845956
  O      -7.689040     -1.984499      7.635396
  C      -7.407302     -2.683288      5.350258
  C      -7.162496     -1.250329      4.960437
  C      -8.185372     -0.429977      4.465142
  C      -7.838322      0.860321      4.062998
  N      -6.607711      1.370679      4.119482
  C      -5.603824      0.602435      4.630000
  C      -5.875325     -0.731550      5.050204
  C      -7.146704     -4.410030      8.778080
  H     -10.296556      0.813038      6.184174
  H      -9.995848     -0.438577      7.409024
  H     -11.147168      0.902627      7.744118
  H      -7.851976     -0.093085      7.682468
  H      -5.677621     -0.466038      8.166027
  H      -3.457140      0.403368      8.921192
  H      -5.473689      6.713956      8.763227
  H      -6.941511      5.708949      8.805630
  H      -7.769659      4.943672      6.668016
  H      -7.257364      3.777693      4.505455
  H      -3.514183      5.508761      7.226200
  H      -7.380644      3.437941      8.698102
  H      -2.754398     -2.290712      8.572445
  H      -4.357233     -3.095078      8.624103
  H      -2.862617     -4.061827      8.712730
  H      -1.397551     -2.799081      6.740025
  H       0.227787     -2.638915      5.185905
  H       0.908915     -2.608457      2.786901
  H      -2.585668     -2.640149     -0.391274
  H      -4.333623     -3.022210     -0.527804
  H      -6.038935     -1.532092      0.569141
  H      -6.504929      0.659438      1.696260
  H      -1.826311     -0.571510      0.717462
  H      -3.824400     -3.535362      3.995558
  H      -5.851881     -7.124464     13.650260
  H      -5.513932     -5.424617     13.203527
  H      -7.190502     -5.952812     13.467339
  H      -6.878345     -4.737829     11.244721
  H      -6.713680     -7.769378      9.089272
  H      -7.103948     -7.612450      6.620918
  H      -8.338250     -3.065699      4.897985
  H      -6.603032     -3.326273      4.965153
  H      -9.211042     -0.789667      4.374809
  H      -8.607084      1.525650      3.651425
  H      -5.076518     -1.386737      5.390421
  H      -7.165247     -3.485036      9.358824
  N      -4.470860      4.055531      2.026933
  H      -5.057886      4.852375      2.271553
  H      -4.602944      3.795403      1.049147
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957030335648
  N      -3.028621      4.187044      4.755707
  Mo     -3.808394      2.784244      3.357852
  N      -4.359998      1.163858      4.667908
  C      -3.326802      0.374542      5.322966
  C      -2.142577      1.241044      5.703037
  N      -1.632297      1.960876      4.531161
  C      -0.863556      3.168332      4.871202
  C      -1.776299      4.228279      5.470857
  C      -0.869931      1.105563      3.608432
  C      -1.023490      1.670354      2.195147
  N      -2.430089      1.898375      1.977338
  H      -1.278948      5.213166      5.398531
  H      -1.934939      4.038876      6.549899
  H      -0.429914      3.549483      3.936942
  H      -0.028155      2.932019      5.557680
  H      -0.582268      0.980691      1.457298
  H      -0.482224      2.624185      2.096455
  H      -1.300956      0.096170      3.632398
  H       0.189798      1.029778      3.920185
  H      -3.712882     -0.072891      6.255302
  H      -2.999496     -0.472297      4.687078
  H      -2.470807      1.982913      6.443105
  H      -1.348612      0.625949      6.173780
  C     -10.165567      0.608838      7.260871
  C      -9.073238      1.515118      7.791760
  O      -9.286853      2.703552      8.046934
  N      -7.856436      0.897927      7.945332
  C      -6.650393      1.450643      8.392674
  C      -5.531666      0.600354      8.465559
  C      -4.299981      1.089966      8.887694
  C      -4.176644      2.430007      9.235248
  F      -2.943493      2.888439      9.573707
  C      -5.264473      3.308182      9.169896
  C      -5.121736      4.770266      9.471165
  O      -4.403105      5.182926     10.369557
  C      -5.871397      5.733462      8.535193
  C      -5.669587      5.310580      7.101625
  C      -6.743212      4.871865      6.306495
  C      -6.470018      4.213415      5.110405
  N      -5.221796      4.011161      4.685927
  C      -4.172597      4.535432      5.383976
  C      -4.367248      5.191939      6.614684
  C      -6.502082      2.797375      8.749756
  C      -3.318158     -3.170895      8.266593
  C      -3.354614     -3.324516      6.758292
  O      -4.360944     -3.692681      6.153831
  N      -2.163971     -3.028902      6.134474
  C      -1.847499     -3.055615      4.764731
  C      -0.513744     -2.784901      4.409392
  C      -0.128057     -2.756538      3.075013
  C      -1.082048     -2.979712      2.090211
  F      -0.664811     -2.954074      0.794079
  C      -2.416334     -3.253868      2.399712
  C      -3.505153     -3.498843      1.384559
  O      -4.389844     -4.304419      1.631978
  C      -3.551609     -2.625367      0.131817
  C      -3.885374     -1.218708      0.578874
  C      -5.225445     -0.862893      0.823342
  C      -5.490539      0.352592      1.445573
  N      -4.519314      1.194617      1.812374
  C      -3.218905      0.906624      1.504114
  C      -2.871597     -0.314820      0.886875
  C      -2.784703     -3.305678      3.754327
  C      -6.249999     -6.324601     13.074967
  C      -6.360283     -6.715196     11.613528
  O      -6.133394     -7.852167     11.205745
  N      -6.744234     -5.673059     10.794396
  C      -6.936891     -5.665438      9.402437
  C      -6.938024     -6.832682      8.613721
  C      -7.151630     -6.733646      7.242236
  C      -7.350908     -5.492481      6.651630
  F      -7.573785     -5.465415      5.314270
  C      -7.344215     -4.307612      7.401002
  C      -7.483101     -2.921539      6.859614
  O      -7.639878     -1.990886      7.653791
  C      -7.404585     -2.685646      5.364207
  C      -7.158330     -1.253083      4.973661
  C      -8.183279     -0.433959      4.480920
  C      -7.838670      0.856055      4.075848
  N      -6.608082      1.366619      4.126778
  C      -5.601611      0.599315      4.634692
  C      -5.871227     -0.733414      5.060308
  C      -7.144049     -4.430856      8.784682
  H     -10.324366      0.847005      6.198972
  H      -9.924059     -0.458294      7.340066
  H     -11.096277      0.826616      7.798740
  H      -7.810808     -0.095154      7.687568
  H      -5.634807     -0.446598      8.175764
  H      -3.422152      0.444091      8.932300
  H      -5.476747      6.737875      8.741420
  H      -6.942869      5.732011      8.790339
  H      -7.771473      4.954054      6.657550
  H      -7.260168      3.774962      4.501695
  H      -3.515439      5.526785      7.208209
  H      -7.370158      3.445550      8.684703
  H      -2.724419     -2.301784      8.584081
  H      -4.345830     -3.067065      8.629947
  H      -2.877312     -4.070494      8.722219
  H      -1.398996     -2.752960      6.744399
  H       0.228758     -2.595985      5.188216
  H       0.906178     -2.564359      2.789079
  H      -2.586625     -2.647180     -0.390157
  H      -4.334653     -3.033827     -0.519007
  H      -6.039744     -1.543384      0.575902
  H      -6.507445      0.647773      1.704241
  H      -1.828333     -0.571248      0.706377
  H      -3.818097     -3.527919      4.006148
  H      -5.900477     -7.190777     13.645023
  H      -5.544555     -5.491183     13.209743
  H      -7.226832     -6.004673     13.467327
  H      -6.874680     -4.772923     11.249172
  H      -6.771585     -7.799037      9.081896
  H      -7.167518     -7.625887      6.615844
  H      -8.347527     -3.058100      4.928427
  H      -6.613859     -3.333290      4.960713
  H      -9.209830     -0.792688      4.397087
  H      -8.609877      1.520677      3.667608
  H      -5.071443     -1.386603      5.401890
  H      -7.141685     -3.508170      9.369493
  N      -4.482757      4.046181      2.022075
  H      -5.070544      4.843032      2.265390
  H      -4.617524      3.781950      1.045822
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957144811554
  N      -3.038533      4.201477      4.748296
  Mo     -3.815058      2.791981      3.356562
  N      -4.358537      1.173000      4.671212
  C      -3.321220      0.390463      5.328222
  C      -2.140546      1.264194      5.704245
  N      -1.633648      1.981447      4.529344
  C      -0.869157      3.193355      4.862664
  C      -1.784723      4.252186      5.459945
  C      -0.869822      1.125066      3.608813
  C      -1.026836      1.682962      2.193323
  N      -2.434285      1.907439      1.977591
  H      -1.291818      5.238885      5.381617
  H      -1.939822      4.067399      6.540295
  H      -0.439900      3.572842      3.925611
  H      -0.030633      2.963189      5.547480
  H      -0.586116      0.990280      1.458113
  H      -0.485897      2.636564      2.089329
  H      -1.297406      0.114198      3.638392
  H       0.190773      1.053758      3.918956
  H      -3.703535     -0.054685      6.263832
  H      -2.991370     -0.456746      4.694845
  H      -2.471934      2.006648      6.442255
  H      -1.344164      0.653797      6.176859
  C     -10.124185      0.586574      7.249989
  C      -9.038951      1.505258      7.773824
  O      -9.264798      2.694161      8.017219
  N      -7.817844      0.900171      7.939006
  C      -6.620425      1.466198      8.392425
  C      -5.494402      0.626553      8.476912
  C      -4.268754      1.130231      8.899968
  C      -4.160415      2.472953      9.242101
  F      -2.933190      2.944821      9.583820
  C      -5.256693      3.340285      9.168029
  C      -5.129356      4.805292      9.462221
  O      -4.428825      5.228109     10.370490
  C      -5.885348      5.757384      8.520106
  C      -5.682122      5.328234      7.089208
  C      -6.753914      4.880817      6.296615
  C      -6.478765      4.217157      5.103894
  N      -5.229838      4.016300      4.681298
  C      -4.182631      4.549048      5.376201
  C      -4.379208      5.211710      6.603210
  C      -6.486818      2.816250      8.742611
  C      -3.320894     -3.201477      8.259199
  C      -3.357697     -3.350010      6.750673
  O      -4.365812     -3.713801      6.146355
  N      -2.166576     -3.054891      6.127126
  C      -1.850177     -3.080438      4.757077
  C      -0.515986     -2.811282      4.402787
  C      -0.131153     -2.778806      3.068171
  C      -1.086906     -2.994319      2.083576
  F      -0.669849     -2.965300      0.786720
  C      -2.422356     -3.263575      2.391931
  C      -3.513050     -3.493941      1.376204
  O      -4.399865     -4.299769      1.616901
  C      -3.553320     -2.616555      0.126452
  C      -3.885496     -1.210297      0.575215
  C      -5.225750     -0.857862      0.824101
  C      -5.492154      0.356615      1.448067
  N      -4.521863      1.199944      1.814486
  C      -3.221319      0.915120      1.502691
  C      -2.872721     -0.304399      0.881292
  C      -2.788942     -3.322299      3.746428
  C      -6.305063     -6.368935     13.089814
  C      -6.408336     -6.753645     11.626360
  O      -6.203874     -7.894751     11.218126
  N      -6.760207     -5.701435     10.805769
  C      -6.946854     -5.688259      9.413243
  C      -6.962709     -6.854325      8.622632
  C      -7.169641     -6.749610      7.250815
  C      -7.349031     -5.504788      6.661604
  F      -7.568933     -5.474077      5.323672
  C      -7.326119     -4.320656      7.412579
  C      -7.444562     -2.931748      6.873694
  O      -7.570053     -1.998067      7.670738
  C      -7.381763     -2.692298      5.379179
  C      -7.140709     -1.259371      4.986428
  C      -8.173032     -0.446103      4.499828
  C      -7.837836      0.845392      4.090921
  N      -6.609711      1.362575      4.135671
  C      -5.596678      0.601287      4.640183
  C      -5.856631     -0.732401      5.067613
  C      -7.131998     -4.449607      8.796792
  H     -10.343028      0.870458      6.210474
  H      -9.848070     -0.474896      7.270515
  H     -11.035803      0.749724      7.838685
  H      -7.762283     -0.094374      7.687793
  H      -5.587129     -0.422321      8.191966
  H      -3.384412      0.493646      8.952232
  H      -5.497302      6.765337      8.721215
  H      -6.956463      5.751116      8.777609
  H      -7.782586      4.961302      6.646957
  H      -7.267002      3.774006      4.496468
  H      -3.528455      5.553267      7.194349
  H      -7.360730      3.455391      8.668979
  H      -2.679033     -2.371657      8.586811
  H      -4.342051     -3.040039      8.620667
  H      -2.939497     -4.129738      8.710994
  H      -1.400318     -2.785324      6.738153
  H       0.227605     -2.624887      5.180932
  H       0.903326     -2.587968      2.782519
  H      -2.587422     -2.641809     -0.393375
  H      -4.337299     -3.022230     -0.525399
  H      -6.039657     -1.539314      0.577896
  H      -6.509256      0.650248      1.707583
  H      -1.829394     -0.557126      0.695404
  H      -3.822745     -3.538480      3.999575
  H      -5.966066     -7.239794     13.658807
  H      -5.595941     -5.540372     13.233775
  H      -7.282868     -6.044690     13.476135
  H      -6.876985     -4.799937     11.261614
  H      -6.812126     -7.823737      9.089850
  H      -7.195805     -7.640481      6.622794
  H      -8.335372     -3.058490      4.959820
  H      -6.602400     -3.341694      4.958601
  H      -9.198567     -0.809358      4.423189
  H      -8.615406      1.505689      3.687795
  H      -5.052264     -1.380428      5.408446
  H      -7.116311     -3.528409      9.383760
  N      -4.492585      4.050313      2.018642
  H      -5.081102      4.847387      2.259808
  H      -4.629252      3.783323      1.043499
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957257052825
  N      -3.041300      4.199562      4.740955
  Mo     -3.816189      2.784182      3.354854
  N      -4.356752      1.168368      4.674069
  C      -3.318293      0.388460      5.332275
  C      -2.139038      1.265672      5.706130
  N      -1.633060      1.980908      4.529522
  C      -0.870495      3.195038      4.859261
  C      -1.787713      4.255126      5.452586
  C      -0.868122      1.123379      3.610795
  C      -1.025926      1.676510      2.193509
  N      -2.433776      1.898997      1.978036
  H      -1.296214      5.242200      5.370107
  H      -1.942623      4.074702      6.533718
  H      -0.441670      3.571909      3.920914
  H      -0.031478      2.968448      5.544686
  H      -0.585270      0.981007      1.460892
  H      -0.485074      2.629753      2.085598
  H      -1.294477      0.111962      3.642567
  H       0.192558      1.054219      3.921054
  H      -3.699957     -0.056198      6.268570
  H      -2.987067     -0.459348      4.700217
  H      -2.472176      2.009343      6.442076
  H      -1.341674      0.657805      6.180419
  C     -10.098094      0.574064      7.283326
  C      -9.011806      1.504244      7.782982
  O      -9.240800      2.696754      8.004973
  N      -7.788275      0.906382      7.955473
  C      -6.594074      1.484243      8.403256
  C      -5.461957      0.653618      8.494446
  C      -4.240121      1.169380      8.913820
  C      -4.142524      2.515248      9.247352
  F      -2.919550      2.998672      9.587965
  C      -5.245385      3.373577      9.166290
  C      -5.130991      4.841503      9.450368
  O      -4.439537      5.276442     10.359875
  C      -5.891667      5.780633      8.499152
  C      -5.688112      5.340109      7.072079
  C      -6.758827      4.884197      6.283199
  C      -6.482247      4.211905      5.095485
  N      -5.232467      4.010368      4.674588
  C      -4.186628      4.550509      5.365824
  C      -4.385210      5.221593      6.587729
  C      -6.470683      2.837587      8.742865
  C      -3.329435     -3.194679      8.250800
  C      -3.361825     -3.350297      6.743622
  O      -4.360766     -3.742007      6.141537
  N      -2.176664     -3.031972      6.119375
  C      -1.856580     -3.057829      4.749690
  C      -0.525857     -2.768578      4.398789
  C      -0.136775     -2.736944      3.065401
  C      -1.085911     -2.971788      2.078904
  F      -0.663522     -2.944817      0.783718
  C      -2.418953     -3.258206      2.383707
  C      -3.503120     -3.503281      1.364752
  O      -4.384481     -4.315517      1.604177
  C      -3.549943     -2.622643      0.117410
  C      -3.883076     -1.218955      0.572912
  C      -5.223429     -0.868845      0.825650
  C      -5.490419      0.344801      1.451235
  N      -4.520424      1.189319      1.816437
  C      -3.220274      0.906103      1.502356
  C      -2.871399     -0.312412      0.878725
  C      -2.788378     -3.317765      3.737056
  C      -6.346227     -6.419736     13.090235
  C      -6.449370     -6.795543     11.624411
  O      -6.257353     -7.937070     11.211151
  N      -6.781007     -5.733984     10.807394
  C      -6.963981     -5.711444      9.414411
  C      -6.989098     -6.873111      8.617540
  C      -7.188731     -6.758831      7.245430
  C      -7.353055     -5.509070      6.662448
  F      -7.561406     -5.468755      5.322983
  C      -7.322128     -4.329180      7.419867
  C      -7.423802     -2.937142      6.885939
  O      -7.532547     -2.003432      7.685191
  C      -7.376981     -2.697617      5.391374
  C      -7.136206     -1.265865      4.994808
  C      -8.169328     -0.455414      4.505618
  C      -7.835824      0.835749      4.094062
  N      -6.608259      1.354460      4.138031
  C      -5.594800      0.595798      4.645038
  C      -5.852805     -0.737346      5.073560
  C      -7.134005     -4.467598      8.803953
  H     -10.374700      0.883140      6.265528
  H      -9.798898     -0.481035      7.262051
  H     -10.984251      0.699544      7.919245
  H      -7.727448     -0.090387      7.715513
  H      -5.547299     -0.397992      8.217349
  H      -3.351104      0.539947      8.971546
  H      -5.507917      6.792092      8.691043
  H      -6.962380      5.772258      8.758424
  H      -7.787691      4.965268      6.632820
  H      -7.269608      3.761782      4.491964
  H      -3.535271      5.569372      7.176434
  H      -7.349757      3.469264      8.664917
  H      -2.665692     -2.383696      8.581412
  H      -4.347817     -3.003537      8.606689
  H      -2.980559     -4.133803      8.706824
  H      -1.416952     -2.744532      6.730329
  H       0.212017     -2.566591      5.178390
  H       0.895664     -2.531901      2.782342
  H      -2.585438     -2.645023     -0.404357
  H      -4.334912     -3.027954     -0.533331
  H      -6.037067     -1.550872      0.580152
  H      -6.507511      0.636970      1.712385
  H      -1.828148     -0.563145      0.689721
  H      -3.819123     -3.549330      3.988152
  H      -6.005896     -7.293647     13.653817
  H      -5.639487     -5.590280     13.240470
  H      -7.325327     -6.100704     13.477977
  H      -6.887999     -4.833443     11.267540
  H      -6.849918     -7.846396      9.080228
  H      -7.219613     -7.645774      6.612095
  H      -8.336772     -3.060805      4.983021
  H      -6.605098     -3.350216      4.961887
  H      -9.193744     -0.821103      4.426639
  H      -8.613552      1.493136      3.686638
  H      -5.047419     -1.383702      5.415123
  H      -7.111288     -3.549807      9.395957
  N      -4.494075      4.038693      2.013140
  H      -5.083139      4.836347      2.251334
  H      -4.630275      3.768963      1.038631
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957385619306
  N      -3.042246      4.198388      4.743188
  Mo     -3.813695      2.780954      3.357175
  N      -4.353955      1.164535      4.676492
  C      -3.315012      0.386071      5.335432
  C      -2.138813      1.266188      5.712562
  N      -1.630782      1.981343      4.537069
  C      -0.870530      3.196466      4.867600
  C      -1.790335      4.256826      5.457436
  C      -0.863348      1.124251      3.620212
  C      -1.019900      1.673888      2.201342
  N      -2.427589      1.895616      1.984399
  H      -1.299654      5.244200      5.373328
  H      -1.947042      4.078764      6.538742
  H      -0.439678      3.572470      3.929795
  H      -0.032730      2.971769      5.555116
  H      -0.579132      0.974978      1.471965
  H      -0.478305      2.626369      2.089979
  H      -1.288596      0.112311      3.651410
  H       0.196917      1.056874      3.932345
  H      -3.698227     -0.062984      6.268794
  H      -2.979536     -0.459820      4.702543
  H      -2.476346      2.010044      6.446260
  H      -1.341435      0.660399      6.189767
  C     -10.078470      0.548546      7.313269
  C      -8.993346      1.494811      7.783505
  O      -9.230785      2.688359      7.990637
  N      -7.764652      0.908235      7.958807
  C      -6.575465      1.499093      8.405070
  C      -5.436557      0.678886      8.503407
  C      -4.221060      1.206550      8.926737
  C      -4.136804      2.554338      9.256868
  F      -2.920222      3.049452      9.603170
  C      -5.246196      3.402670      9.167017
  C      -5.146667      4.872617      9.445400
  O      -4.464979      5.318499     10.356953
  C      -5.906670      5.800213      8.482654
  C      -5.698087      5.349258      7.059746
  C      -6.765895      4.888273      6.270244
  C      -6.484924      4.209486      5.087180
  N      -5.233288      4.006953      4.671077
  C      -4.190025      4.551353      5.363094
  C      -4.393780      5.227929      6.580905
  C      -6.464801      2.854722      8.739784
  C      -3.349573     -3.197444      8.226469
  C      -3.375678     -3.350356      6.719776
  O      -4.372777     -3.741576      6.114454
  N      -2.188584     -3.031455      6.099061
  C      -1.865031     -3.055754      4.729990
  C      -0.534904     -2.760162      4.382678
  C      -0.142176     -2.727476      3.050282
  C      -1.087570     -2.968182      2.061604
  F      -0.660933     -2.940383      0.768083
  C      -2.420666     -3.260178      2.362970
  C      -3.501449     -3.505319      1.340952
  O      -4.381536     -4.320710      1.572883
  C      -3.546757     -2.615686      0.098784
  C      -3.877820     -1.215422      0.565152
  C      -5.218143     -0.864907      0.818725
  C      -5.484632      0.346195      1.448911
  N      -4.514103      1.189070      1.817089
  C      -3.213942      0.904747      1.504256
  C      -2.866126     -0.311991      0.876905
  C      -2.793057     -3.320398      3.715138
  C      -6.374248     -6.444144     13.103143
  C      -6.472823     -6.815968     11.636097
  O      -6.303599     -7.961491     11.223883
  N      -6.784013     -5.748683     10.818633
  C      -6.968045     -5.722999      9.425660
  C      -7.006009     -6.883438      8.627909
  C      -7.203749     -6.765696      7.255775
  C      -7.352967     -5.513633      6.673700
  F      -7.557261     -5.471488      5.333811
  C      -7.310123     -4.334432      7.432305
  C      -7.397278     -2.940309      6.899695
  O      -7.480572     -2.005118      7.699989
  C      -7.369433     -2.703495      5.404014
  C      -7.130117     -1.273384      5.001783
  C      -8.163835     -0.466317      4.508333
  C      -7.831636      0.823433      4.091284
  N      -6.605046      1.344595      4.135644
  C      -5.591724      0.589984      4.647447
  C      -5.847576     -0.742776      5.077733
  C      -7.124643     -4.476847      8.816291
  H     -10.420209      0.877337      6.322064
  H      -9.753462     -0.496778      7.249581
  H     -10.931686      0.631535      8.000159
  H      -7.694868     -0.089060      7.724454
  H      -5.512248     -0.374914      8.230542
  H      -3.327065      0.585322      8.991468
  H      -5.526548      6.814549      8.667370
  H      -6.978008      5.790965      8.739228
  H      -7.795889      4.970632      6.616065
  H      -7.270103      3.754177      4.484669
  H      -3.546084      5.580210      7.170299
  H      -7.348961      3.478638      8.656313
  H      -2.640629     -2.431419      8.569376
  H      -4.358746     -2.945920      8.572302
  H      -3.068659     -4.159253      8.682037
  H      -1.430831     -2.743476      6.712036
  H       0.199398     -2.553236      5.164336
  H       0.889804     -2.517197      2.769573
  H      -2.581498     -2.636528     -0.421400
  H      -4.331540     -3.015052     -0.555598
  H      -6.032363     -1.545106      0.570209
  H      -6.501756      0.638022      1.710195
  H      -1.822962     -0.562474      0.687558
  H      -3.823448     -3.558698      3.963514
  H      -6.034280     -7.319108     13.665397
  H      -5.670617     -5.613179     13.259051
  H      -7.355903     -6.129350     13.488041
  H      -6.879232     -4.847107     11.279228
  H      -6.878753     -7.858531      9.090214
  H      -7.244196     -7.651497      6.621439
  H      -8.333531     -3.066875      5.005998
  H      -6.603104     -3.358972      4.968332
  H      -9.186753     -0.835387      4.426406
  H      -8.609269      1.477492      3.678644
  H      -5.041043     -1.387354      5.420728
  H      -7.094635     -3.559888      9.409262
  N      -4.484721      4.036693      2.012834
  H      -5.073274      4.835482      2.248232
  H      -4.617885      3.767447      1.037672
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957493911898
  N      -3.047099      4.203438      4.740343
  Mo     -3.814754      2.780957      3.356792
  N      -4.352705      1.165659      4.679305
  C      -3.312174      0.390645      5.339504
  C      -2.139893      1.274985      5.718312
  N      -1.630737      1.988536      4.542584
  C      -0.873853      3.205861      4.871858
  C      -1.796873      4.266541      5.456845
  C      -0.860188      1.131183      3.628981
  C      -1.017162      1.674507      2.207550
  N      -2.424910      1.893495      1.989544
  H      -1.307610      5.254365      5.369674
  H      -1.955009      4.092137      6.538571
  H      -0.441203      3.579868      3.934037
  H      -0.037234      2.984840      5.561990
  H      -0.575967      0.971109      1.482669
  H      -0.476407      2.626794      2.090311
  H      -1.282654      0.118173      3.661688
  H       0.199859      1.067881      3.942589
  H      -3.696014     -0.062382      6.270322
  H      -2.971682     -0.453715      4.706882
  H      -2.482457      2.020270      6.448280
  H      -1.341860      0.673048      6.199542
  C     -10.047301      0.506862      7.353027
  C      -8.968111      1.475245      7.790385
  O      -9.218823      2.668882      7.980818
  N      -7.730178      0.906990      7.961982
  C      -6.547716      1.516162      8.402822
  C      -5.398972      0.710641      8.505834
  C      -4.191237      1.254220      8.931454
  C      -4.124435      2.603827      9.258042
  F      -2.915457      3.114845      9.607471
  C      -5.243210      3.438325      9.161300
  C      -5.162265      4.910427      9.434118
  O      -4.490857      5.368740     10.346786
  C      -5.925322      5.824747      8.461149
  C      -5.711783      5.364488      7.041978
  C      -6.776698      4.896786      6.252649
  C      -6.491148      4.210886      5.074801
  N      -5.237885      4.007834      4.663419
  C      -4.197057      4.558158      5.354984
  C      -4.406023      5.242235      6.567524
  C      -6.454108      2.874323      8.732542
  C      -3.365391     -3.202960      8.211542
  C      -3.384347     -3.348868      6.704830
  O      -4.383630     -3.725256      6.093973
  N      -2.191818     -3.041178      6.089018
  C      -1.866396     -3.063222      4.720450
  C      -0.535346     -2.770496      4.374972
  C      -0.140756     -2.738353      3.042969
  C      -1.085242     -2.977350      2.052857
  F      -0.656344     -2.949821      0.760335
  C      -2.419611     -3.266521      2.352650
  C      -3.500228     -3.509093      1.329656
  O      -4.380253     -4.325460      1.556783
  C      -3.544366     -2.612598      0.090944
  C      -3.874551     -1.214508      0.564000
  C      -5.215057     -0.863995      0.818330
  C      -5.481677      0.345610      1.450734
  N      -4.511059      1.188463      1.819252
  C      -3.210449      0.903429      1.507533
  C      -2.863163     -0.312364      0.878772
  C      -2.793700     -3.325665      3.704300
  C      -6.404773     -6.481710     13.105573
  C      -6.510078     -6.848478     11.637701
  O      -6.359022     -7.995816     11.223361
  N      -6.795942     -5.773146     10.821749
  C      -6.978687     -5.740475      9.428514
  C      -7.032893     -6.897338      8.626935
  C      -7.228066     -6.771905      7.255016
  C      -7.358358     -5.515725      6.676975
  F      -7.559265     -5.467606      5.336862
  C      -7.299167     -4.339713      7.439732
  C      -7.368719     -2.941687      6.912996
  O      -7.419820     -2.008029      7.717312
  C      -7.365750     -2.702896      5.417039
  C      -7.127658     -1.273597      5.012703
  C      -8.161820     -0.467776      4.517571
  C      -7.829865      0.820096      4.095003
  N      -6.603421      1.341787      4.137636
  C      -5.590314      0.589703      4.652504
  C      -5.845199     -0.742244      5.085951
  C      -7.116786     -4.490199      8.823124
  H     -10.460546      0.851162      6.394926
  H      -9.693705     -0.525200      7.243190
  H     -10.859059      0.541001      8.093008
  H      -7.646891     -0.090476      7.733269
  H      -5.461717     -0.345401      8.237527
  H      -3.289784      0.644460      9.000797
  H      -5.551852      6.843040      8.638424
  H      -6.997116      5.811139      8.715681
  H      -7.807657      4.978672      6.595637
  H      -7.273933      3.748624      4.474386
  H      -3.560542      5.600334      7.156805
  H      -7.345166      3.487861      8.644001
  H      -2.600977     -2.501272      8.571472
  H      -4.356243     -2.872089      8.544569
  H      -3.175534     -4.188527      8.663522
  H      -1.433197     -2.760880      6.704273
  H       0.198031     -2.565688      5.158201
  H       0.891916     -2.530179      2.763223
  H      -2.578419     -2.632323     -0.428233
  H      -4.328478     -3.007747     -0.566383
  H      -6.029349     -1.543792      0.568905
  H      -6.498861      0.636514      1.712980
  H      -1.819854     -0.562040      0.689429
  H      -3.825241     -3.562798      3.950567
  H      -6.056063     -7.356639     13.662553
  H      -5.707202     -5.645887     13.262518
  H      -7.387416     -6.176871     13.496136
  H      -6.875475     -4.871201     11.284548
  H      -6.921355     -7.875704      9.086471
  H      -7.281549     -7.654618      6.617420
  H      -8.333761     -3.065972      5.029776
  H      -6.605163     -3.360235      4.972976
  H      -9.184173     -0.838527      4.435960
  H      -8.607415      1.472711      3.680025
  H      -5.037922     -1.386618      5.427672
  H      -7.076380     -3.575580      9.419076
  N      -4.478790      4.035744      2.007607
  H      -5.067039      4.835914      2.239234
  H      -4.608313      3.765921      1.032027
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957598493544
  N      -3.051293      4.206566      4.734728
  Mo     -3.817457      2.780096      3.353952
  N      -4.350392      1.165054      4.679007
  C      -3.307031      0.392683      5.337574
  C      -2.137203      1.280159      5.715975
  N      -1.630050      1.994084      4.539641
  C      -0.876108      3.213457      4.867806
  C      -1.801432      4.273070      5.451400
  C      -0.857768      1.138188      3.626399
  C      -1.017894      1.678680      2.203998
  N      -2.426353      1.893892      1.987643
  H      -1.313804      5.261608      5.362749
  H      -1.959255      4.099845      6.533404
  H      -0.443650      3.587175      3.929767
  H      -0.039431      2.995062      5.558714
  H      -0.576366      0.973829      1.480730
  H      -0.479578      2.631931      2.083214
  H      -1.276995      0.123900      3.660127
  H       0.202735      1.078738      3.939268
  H      -3.688812     -0.063612      6.267473
  H      -2.963988     -0.449975      4.703935
  H      -2.482212      2.025622      6.444669
  H      -1.337491      0.681101      6.198044
  C     -10.016428      0.470045      7.373480
  C      -8.942931      1.455437      7.787203
  O      -9.204830      2.648164      7.967944
  N      -7.699176      0.900992      7.961478
  C      -6.523789      1.523967      8.401707
  C      -5.368280      0.729149      8.511628
  C      -4.167250      1.284493      8.940564
  C      -4.113564      2.635887      9.262249
  F      -2.910640      3.159054      9.614616
  C      -5.238788      3.460458      9.157337
  C      -5.170671      4.934321      9.425742
  O      -4.506912      5.400766     10.339617
  C      -5.935831      5.840007      8.446062
  C      -5.719698      5.374072      7.029080
  C      -6.783228      4.901417      6.240884
  C      -6.495456      4.210738      5.066445
  N      -5.241711      4.007127      4.657526
  C      -4.201973      4.562319      5.346997
  C      -4.413288      5.252597      6.555627
  C      -6.443424      2.884461      8.726110
  C      -3.376286     -3.200266      8.207420
  C      -3.384725     -3.353496      6.701383
  O      -4.380959     -3.735108      6.088492
  N      -2.192199     -3.041513      6.088021
  C      -1.865146     -3.060176      4.719761
  C      -0.535113     -2.760831      4.375898
  C      -0.138755     -2.726669      3.044426
  C      -1.080634     -2.968856      2.052575
  F      -0.650264     -2.937813      0.760769
  C      -2.414067     -3.263734      2.350618
  C      -3.493787     -3.509323      1.326795
  O      -4.368957     -4.331048      1.551362
  C      -3.540388     -2.612013      0.087806
  C      -3.873171     -1.214544      0.560914
  C      -5.213778     -0.867038      0.819016
  C      -5.481350      0.341279      1.453318
  N      -4.511520      1.185855      1.820059
  C      -3.210802      0.903616      1.505217
  C      -2.863063     -0.310234      0.873620
  C      -2.789574     -3.326662      3.701916
  C      -6.433860     -6.514759     13.106962
  C      -6.543663     -6.876206     11.638174
  O      -6.423199     -8.026832     11.223027
  N      -6.805145     -5.793674     10.823798
  C      -6.991633     -5.755482      9.431188
  C      -7.069871     -6.909644      8.627858
  C      -7.267262     -6.777748      7.256834
  C      -7.376991     -5.518186      6.681409
  F      -7.580702     -5.464707      5.341903
  C      -7.293151     -4.345016      7.446060
  C      -7.341991     -2.943786      6.924404
  O      -7.353314     -2.012212      7.732610
  C      -7.365023     -2.700973      5.428973
  C      -7.126293     -1.272336      5.023271
  C      -8.160759     -0.466072      4.529081
  C      -7.828544      0.820289      4.102686
  N      -6.601375      1.340550      4.141065
  C      -5.587941      0.588839      4.655795
  C      -5.842974     -0.741972      5.092703
  C      -7.107898     -4.501919      8.828201
  H     -10.492976      0.833413      6.453063
  H      -9.641217     -0.547138      7.212249
  H     -10.786106      0.454712      8.158411
  H      -7.605063     -0.096885      7.738527
  H      -5.420934     -0.328516      8.247646
  H      -3.260599      0.682921      9.015224
  H      -5.567340      6.861012      8.618519
  H      -7.007922      5.823013      8.699362
  H      -7.814514      4.982347      6.583122
  H      -7.276981      3.744306      4.467654
  H      -3.568745      5.615131      7.143615
  H      -7.338665      3.490804      8.630073
  H      -2.572320     -2.551436      8.579088
  H      -4.348182     -2.801996      8.523178
  H      -3.264263     -4.195433      8.663794
  H      -1.436449     -2.755395      6.703999
  H       0.196211     -2.553974      5.160593
  H       0.893408     -2.514132      2.765982
  H      -2.574343     -2.629513     -0.431652
  H      -4.323372     -3.008582     -0.570101
  H      -6.027067     -1.548752      0.571551
  H      -6.498305      0.629359      1.719396
  H      -1.819578     -0.557259      0.681970
  H      -3.820634     -3.567397      3.945607
  H      -6.080257     -7.390703     13.659255
  H      -5.740364     -5.676141     13.266313
  H      -7.417244     -6.217206     13.501253
  H      -6.863924     -4.890825     11.287841
  H      -6.975065     -7.890747      9.085377
  H      -7.339127     -7.657892      6.617524
  H      -8.338117     -3.061415      5.053497
  H      -6.611786     -3.360791      4.974868
  H      -9.183698     -0.836158      4.451712
  H      -8.606223      1.472958      3.688038
  H      -5.035516     -1.386842      5.431995
  H      -7.048264     -3.589028      9.425042
  N      -4.479992      4.033709      2.002615
  H      -5.069411      4.833412      2.232664
  H      -4.607586      3.763551      1.026828
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957703763512
  N      -3.059507      4.221333      4.718724
  Mo     -3.824900      2.787588      3.343101
  N      -4.348031      1.173231      4.674561
  C      -3.299321      0.407908      5.332480
  C      -2.133801      1.301889      5.707656
  N      -1.630031      2.013208      4.528083
  C      -0.880589      3.236658      4.850423
  C      -1.808448      4.295090      5.432034
  C      -0.855974      1.157524      3.616844
  C      -1.023618      1.689994      2.192048
  N      -2.433271      1.898783      1.979952
  H      -1.324140      5.284772      5.337907
  H      -1.962641      4.125627      6.515110
  H      -0.450539      3.608392      3.910423
  H      -0.042412      3.024016      5.541409
  H      -0.582563      0.981271      1.472259
  H      -0.489562      2.644530      2.062722
  H      -1.268781      0.140864      3.656170
  H       0.205804      1.105940      3.926593
  H      -3.677015     -0.050873      6.262759
  H      -2.951650     -0.433447      4.699616
  H      -2.482630      2.049675      6.432278
  H      -1.331479      0.709028      6.192830
  C      -9.974517      0.419182      7.407599
  C      -8.910261      1.425490      7.795902
  O      -9.184507      2.616311      7.969734
  N      -7.658164      0.888174      7.964309
  C      -6.490365      1.526538      8.400778
  C      -5.326390      0.744320      8.513290
  C      -4.131085      1.313498      8.939142
  C      -4.091435      2.666310      9.255894
  F      -2.893693      3.203533      9.605028
  C      -5.224946      3.479122      9.147636
  C      -5.170270      4.954639      9.411231
  O      -4.513029      5.429547     10.324984
  C      -5.945503      5.850911      8.430377
  C      -5.728984      5.384293      7.013482
  C      -6.791680      4.905998      6.227268
  C      -6.502521      4.214485      5.053720
  N      -5.248939      4.013354      4.644595
  C      -4.209538      4.574100      5.331248
  C      -4.422631      5.268520      6.537384
  C      -6.424049      2.889437      8.718436
  C      -3.388715     -3.211081      8.219568
  C      -3.385351     -3.362647      6.713037
  O      -4.386040     -3.724462      6.094625
  N      -2.187126     -3.065824      6.104524
  C      -1.861514     -3.069840      4.735756
  C      -0.533554     -2.759393      4.392931
  C      -0.137808     -2.714772      3.061674
  C      -1.077915     -2.955559      2.067622
  F      -0.648109     -2.912743      0.776060
  C      -2.408984     -3.260101      2.364133
  C      -3.489489     -3.508692      1.340812
  O      -4.359956     -4.334790      1.566245
  C      -3.540955     -2.614422      0.099129
  C      -3.877144     -1.215511      0.565188
  C      -5.217817     -0.870545      0.826925
  C      -5.486515      0.339583      1.457402
  N      -4.517770      1.188034      1.818300
  C      -3.216303      0.907425      1.500925
  C      -2.868416     -0.306457      0.870290
  C      -2.783947     -3.335539      3.715689
  C      -6.480374     -6.554280     13.103083
  C      -6.597002     -6.910496     11.633496
  O      -6.511262     -8.064069     11.217860
  N      -6.825452     -5.820323     10.819615
  C      -7.012301     -5.776407      9.427281
  C      -7.118873     -6.927329      8.622628
  C      -7.314828     -6.788106      7.252167
  C      -7.396828     -5.525202      6.678522
  F      -7.601835     -5.466167      5.339290
  C      -7.283101     -4.355730      7.444581
  C      -7.303911     -2.950316      6.929971
  O      -7.266840     -2.024264      7.743350
  C      -7.354988     -2.698228      5.436422
  C      -7.119005     -1.268618      5.032463
  C      -8.156367     -0.463399      4.541654
  C      -7.827673      0.822835      4.113083
  N      -6.600729      1.344079      4.145454
  C      -5.584062      0.594185      4.657253
  C      -5.835889     -0.736062      5.098610
  C      -7.098425     -4.519866      8.825767
  H     -10.494939      0.778326      6.510468
  H      -9.578456     -0.586424      7.224582
  H     -10.711009      0.372721      8.223098
  H      -7.551018     -0.109472      7.744462
  H      -5.368156     -0.314497      8.253655
  H      -3.217596      0.722009      9.013203
  H      -5.586488      6.875795      8.599432
  H      -7.017130      5.824511      8.685296
  H      -7.822847      4.982957      6.570947
  H      -7.283042      3.744703      4.456441
  H      -3.578655      5.636049      7.123161
  H      -7.324188      3.487667      8.617735
  H      -2.533700     -2.645613      8.611862
  H      -4.323543     -2.717761      8.514471
  H      -3.389323     -4.213238      8.673547
  H      -1.429652     -2.789509      6.722767
  H       0.196527     -2.553869      5.179238
  H       0.893017     -2.494455      2.783989
  H      -2.575714     -2.631288     -0.422570
  H      -4.323273     -3.016337     -0.556494
  H      -6.030061     -1.555494      0.584831
  H      -6.503309      0.625954      1.725786
  H      -1.824550     -0.550027      0.675886
  H      -3.814235     -3.581172      3.956119
  H      -6.116695     -7.429873     13.649484
  H      -5.795000     -5.709542     13.264351
  H      -7.465338     -6.269672     13.503219
  H      -6.858277     -4.916406     11.284099
  H      -7.046674     -7.911147      9.078592
  H      -7.408376     -7.665013      6.611162
  H      -8.330429     -3.059025      5.069998
  H      -6.605717     -3.356716      4.972840
  H      -9.179179     -0.835287      4.470591
  H      -8.607817      1.474795      3.701801
  H      -5.026888     -1.380028      5.434789
  H      -7.015023     -3.608974      9.422700
  N      -4.481929      4.040531      1.988153
  H      -5.071293      4.840957      2.216542
  H      -4.607599      3.770890      1.011953
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.367345538468
  N      -3.062422      4.220890      4.716920
  Mo     -3.827395      2.785069      3.343365
  N      -4.344792      1.170348      4.675732
  C      -3.293813      0.405422      5.330111
  C      -2.127448      1.299590      5.702298
  N      -1.629120      2.014737      4.522595
  C      -0.881772      3.239454      4.846502
  C      -1.811491      4.294788      5.430593
  C      -0.854389      1.163000      3.607805
  C      -1.025038      1.699827      2.185027
  N      -2.435843      1.904005      1.975292
  H      -1.328708      5.285550      5.339844
  H      -1.965897      4.121921      6.513185
  H      -0.453079      3.613809      3.907011
  H      -0.042941      3.027022      5.536755
  H      -0.581757      0.996175      1.461674
  H      -0.495280      2.657188      2.059645
  H      -1.265115      0.145532      3.645269
  H       0.207920      1.112779      3.915866
  H      -3.667803     -0.052632      6.262342
  H      -2.948706     -0.435905      4.695734
  H      -2.473768      2.045214      6.430335
  H      -1.322523      0.706626      6.182849
  C      -9.946912      0.388886      7.403921
  C      -8.890540      1.403243      7.792978
  O      -9.174384      2.592187      7.963054
  N      -7.634671      0.876341      7.965345
  C      -6.471714      1.524980      8.399472
  C      -5.302082      0.751015      8.510700
  C      -4.109959      1.328550      8.933842
  C      -4.079171      2.681977      9.248675
  F      -2.884468      3.228102      9.594639
  C      -5.218678      3.486829      9.142212
  C      -5.171949      4.962608      9.407640
  O      -4.515360      5.438988     10.321085
  C      -5.948525      5.857101      8.426313
  C      -5.731721      5.389086      7.010013
  C      -6.794380      4.907488      6.225968
  C      -6.505301      4.212666      5.054441
  N      -5.251955      4.011007      4.645710
  C      -4.212787      4.575311      5.329088
  C      -4.425489      5.274319      6.532839
  C      -6.414776      2.888681      8.716102
  C      -3.405005     -3.206249      8.207549
  C      -3.389083     -3.371086      6.702167
  O      -4.375572     -3.770017      6.083389
  N      -2.195994     -3.050271      6.096705
  C      -1.864242     -3.056713      4.729423
  C      -0.536697     -2.738157      4.391792
  C      -0.135963     -2.689918      3.062386
  C      -1.070483     -2.936228      2.064446
  F      -0.637225     -2.889972      0.774269
  C      -2.399846     -3.251254      2.355795
  C      -3.473930     -3.506860      1.327319
  O      -4.337136     -4.342172      1.547560
  C      -3.528503     -2.610306      0.088554
  C      -3.871156     -1.213695      0.557246
  C      -5.212212     -0.875539      0.823948
  C      -5.483817      0.331699      1.459124
  N      -4.517579      1.182784      1.819873
  C      -3.216325      0.909820      1.496531
  C      -2.865091     -0.300746      0.860935
  C      -2.780630     -3.329342      3.705728
  C      -6.508706     -6.572990     13.115513
  C      -6.629962     -6.925045     11.645310
  O      -6.560684     -8.079073     11.227920
  N      -6.844074     -5.830579     10.833023
  C      -7.030736     -5.782509      9.440918
  C      -7.154258     -6.931117      8.635040
  C      -7.348825     -6.787649      7.264945
  C      -7.414135     -5.523157      6.692743
  F      -7.618103     -5.459160      5.353596
  C      -7.283683     -4.356200      7.459797
  C      -7.287059     -2.950507      6.945876
  O      -7.228369     -2.024982      7.758871
  C      -7.352889     -2.697423      5.453179
  C      -7.115869     -1.269185      5.045232
  C      -8.153425     -0.465230      4.553177
  C      -7.825026      0.819808      4.120938
  N      -6.597910      1.340501      4.149853
  C      -5.580447      0.591452      4.662130
  C      -5.832166     -0.737344      5.107760
  C      -7.099293     -4.524228      8.840856
  H     -10.515211      0.780468      6.550759
  H      -9.538985     -0.597068      7.153911
  H     -10.645652      0.285650      8.247404
  H      -7.519125     -0.121020      7.749154
  H      -5.337387     -0.308439      8.252451
  H      -3.192650      0.743006      9.007186
  H      -5.591707      6.882807      8.594661
  H      -7.020119      5.828677      8.681177
  H      -7.825298      4.984045      6.570420
  H      -7.285727      3.740891      4.458474
  H      -3.581349      5.644011      7.116965
  H      -7.319134      3.480675      8.617211
  H      -2.535498     -2.669389      8.608293
  H      -4.325220     -2.675901      8.484951
  H      -3.450383     -4.203808      8.668946
  H      -1.448061     -2.751018      6.715889
  H       0.188954     -2.528705      5.181119
  H       0.894530     -2.462414      2.789169
  H      -2.562687     -2.620107     -0.432374
  H      -4.307644     -3.014792     -0.569406
  H      -6.021966     -1.563351      0.581632
  H      -6.500801      0.613267      1.732087
  H      -1.820960     -0.540122      0.662732
  H      -3.810029     -3.583400      3.941824
  H      -6.130956     -7.446225     13.656334
  H      -5.834616     -5.719444     13.277545
  H      -7.495868     -6.304662     13.521685
  H      -6.861360     -4.926689     11.298363
  H      -7.095151     -7.916404      9.089597
  H      -7.453801     -7.662516      6.622841
  H      -8.331903     -3.056495      5.094890
  H      -6.608853     -3.358320      4.984235
  H      -9.176811     -0.836174      4.486453
  H      -8.605590      1.470715      3.708805
  H      -5.022611     -1.379960      5.445543
  H      -7.001439     -3.615428      9.438813
  N      -4.493369      4.034541      1.989395
  H      -5.087795      4.830838      2.218927
  H      -4.618007      3.764021      1.013330
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957282953562
  N      -3.069233      4.229017      4.700410
  Mo     -3.839552      2.790680      3.331917
  N      -4.340413      1.175275      4.669000
  C      -3.283674      0.412348      5.315670
  C      -2.111507      1.305268      5.673608
  N      -1.628967      2.026514      4.490026
  C      -0.884030      3.254491      4.811813
  C      -1.813971      4.302285      5.406882
  C      -0.857097      1.181021      3.565821
  C      -1.040551      1.726863      2.148700
  N      -2.454383      1.921495      1.949553
  H      -1.335216      5.295574      5.322898
  H      -1.962566      4.120471      6.488925
  H      -0.464854      3.634793      3.870673
  H      -0.039578      3.042600      5.495465
  H      -0.594715      1.037789      1.413139
  H      -0.521451      2.691016      2.033792
  H      -1.262147      0.161919      3.606426
  H       0.208124      1.134902      3.863775
  H      -3.645507     -0.033907      6.259069
  H      -2.950851     -0.433501      4.680833
  H      -2.445511      2.047018      6.411172
  H      -1.300647      0.710541      6.140837
  C      -9.895200      0.340935      7.361479
  C      -8.857388      1.353709      7.801359
  O      -9.153911      2.536421      7.987513
  N      -7.596303      0.838750      7.973217
  C      -6.437924      1.497771      8.401208
  C      -5.261830      0.731389      8.503721
  C      -4.068747      1.317457      8.911482
  C      -4.043804      2.671722      9.220496
  F      -2.848246      3.226840      9.550285
  C      -5.191661      3.468296      9.127943
  C      -5.146821      4.942702      9.403207
  O      -4.475066      5.410571     10.310445
  C      -5.932110      5.845334      8.437516
  C      -5.723237      5.386008      7.017415
  C      -6.790150      4.901427      6.241194
  C      -6.508792      4.210904      5.065395
  N      -5.258840      4.014321      4.646709
  C      -4.215948      4.581579      5.321435
  C      -4.420260      5.279630      6.528253
  C      -6.388464      2.862144      8.716288
  C      -3.391866     -3.184623      8.232742
  C      -3.369663     -3.376609      6.728700
  O      -4.321748     -3.872402      6.124936
  N      -2.197720     -3.002216      6.116618
  C      -1.863326     -3.018100      4.750263
  C      -0.537584     -2.687316      4.413648
  C      -0.136816     -2.631478      3.085724
  C      -1.067633     -2.886948      2.086449
  F      -0.638259     -2.836379      0.795007
  C      -2.390233     -3.222588      2.376733
  C      -3.457160     -3.494620      1.345176
  O      -4.309891     -4.341082      1.572410
  C      -3.521242     -2.614093      0.102224
  C      -3.877943     -1.215048      0.554869
  C      -5.218859     -0.884867      0.823760
  C      -5.493905      0.324173      1.456388
  N      -4.531667      1.179753      1.814095
  C      -3.231132      0.918780      1.480443
  C      -2.874351     -0.292441      0.846073
  C      -2.774827     -3.303783      3.726342
  C      -6.585628     -6.606934     13.129992
  C      -6.712453     -6.949708     11.657872
  O      -6.655927     -8.101988     11.233671
  N      -6.905556     -5.847508     10.849443
  C      -7.078968     -5.791298      9.456561
  C      -7.220102     -6.935672      8.645614
  C      -7.400779     -6.784309      7.275095
  C      -7.439769     -5.517297      6.706834
  F      -7.632946     -5.440235      5.366614
  C      -7.292897     -4.355559      7.477760
  C      -7.270673     -2.951209      6.963721
  O      -7.208782     -2.023655      7.775372
  C      -7.337566     -2.696486      5.472318
  C      -7.102021     -1.269777      5.057209
  C      -8.142286     -0.475044      4.557972
  C      -7.821310      0.812118      4.126273
  N      -6.597217      1.338891      4.153631
  C      -5.573347      0.593691      4.664642
  C      -5.820132     -0.733013      5.119909
  C      -7.117987     -4.529898      8.860591
  H     -10.460751      0.775971      6.527919
  H      -9.474775     -0.623190      7.052568
  H     -10.598930      0.183290      8.191871
  H      -7.470546     -0.156876      7.756210
  H      -5.293295     -0.328711      8.248448
  H      -3.148385      0.736348      8.978989
  H      -5.577794      6.870309      8.612226
  H      -7.002220      5.810817      8.697778
  H      -7.818462      4.974777      6.594035
  H      -7.292726      3.742507      4.471014
  H      -3.572470      5.648472      7.107194
  H      -7.298150      3.447145      8.630875
  H      -2.530677     -2.624822      8.623087
  H      -4.318608     -2.655772      8.493313
  H      -3.422612     -4.170512      8.718849
  H      -1.467703     -2.650529      6.730007
  H       0.185705     -2.471447      5.203129
  H       0.891410     -2.390678      2.814882
  H      -2.556802     -2.612957     -0.421207
  H      -4.295208     -3.036277     -0.551392
  H      -6.024754     -1.577757      0.583090
  H      -6.511200      0.603529      1.731167
  H      -1.830205     -0.529237      0.643796
  H      -3.800524     -3.574522      3.962109
  H      -6.178697     -7.474650     13.659176
  H      -5.936610     -5.735017     13.295845
  H      -7.577769     -6.374458     13.546926
  H      -6.899173     -4.944671     11.317176
  H      -7.181426     -7.923704      9.095812
  H      -7.513610     -7.655604      6.629041
  H      -8.316965     -3.057499      5.115907
  H      -6.593513     -3.356626      5.003292
  H      -9.164596     -0.849272      4.495835
  H      -8.606262      1.457690      3.713920
  H      -5.007796     -1.366217      5.471409
  H      -6.999645     -3.626128      9.462609
  N      -4.531609      4.032755      1.984363
  H      -5.134318      4.820644      2.221854
  H      -4.661508      3.759967      1.009817
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957749876072
  N      -3.069021      4.232952      4.694194
  Mo     -3.830357      2.788008      3.328664
  N      -4.336991      1.176379      4.669738
  C      -3.282098      0.419449      5.327471
  C      -2.118489      1.321723      5.692117
  N      -1.624935      2.033457      4.508270
  C      -0.882891      3.263476      4.823578
  C      -1.816547      4.317462      5.404188
  C      -0.848883      1.180067      3.595864
  C      -1.024741      1.708144      2.170490
  N      -2.437095      1.905845      1.963209
  H      -1.339354      5.310343      5.306869
  H      -1.967358      4.149962      6.488138
  H      -0.459383      3.635104      3.880618
  H      -0.040503      3.059046      5.511844
  H      -0.580454      1.003291      1.449014
  H      -0.497710      2.666544      2.040195
  H      -1.255873      0.161019      3.641404
  H       0.214806      1.135450      3.900825
  H      -3.652074     -0.031318      6.265521
  H      -2.935737     -0.424880      4.698141
  H      -2.466338      2.068179      6.418348
  H      -1.310537      0.733618      6.173698
  C      -9.946440      0.384380      7.493837
  C      -8.883773      1.408464      7.837736
  O      -9.165176      2.602646      7.974777
  N      -7.627723      0.883866      8.017023
  C      -6.460855      1.540964      8.428001
  C      -5.288948      0.770483      8.539907
  C      -4.092705      1.356470      8.939838
  C      -4.062212      2.714425      9.237461
  F      -2.865321      3.267400      9.564332
  C      -5.205360      3.514810      9.132650
  C      -5.163189      4.993075      9.382768
  O      -4.510075      5.480779     10.293643
  C      -5.954289      5.872822      8.401190
  C      -5.739905      5.396315      6.988057
  C      -6.801391      4.903483      6.209995
  C      -6.511490      4.206512      5.039766
  N      -5.257132      4.011452      4.628067
  C      -4.220211      4.584108      5.307633
  C      -4.434702      5.285295      6.509489
  C      -6.402900      2.909260      8.723019
  C      -3.380446     -3.203294      8.206498
  C      -3.366514     -3.381113      6.703266
  O      -4.352504     -3.788336      6.089361
  N      -2.180674     -3.041588      6.093887
  C      -1.851309     -3.046206      4.726098
  C      -0.527656     -2.712597      4.388071
  C      -0.127940     -2.664273      3.058621
  C      -1.060955     -2.925295      2.063173
  F      -0.626549     -2.881510      0.772852
  C      -2.387984     -3.252647      2.355480
  C      -3.459149     -3.516369      1.327749
  O      -4.321115     -4.352815      1.551061
  C      -3.519465     -2.619475      0.090671
  C      -3.863904     -1.223448      0.559943
  C      -5.205344     -0.888725      0.828152
  C      -5.479859      0.320930      1.457644
  N      -4.516116      1.176714      1.813402
  C      -3.215003      0.906184      1.489506
  C      -2.860563     -0.306913      0.859289
  C      -2.765679     -3.331555      3.705166
  C      -6.588165     -6.641838     13.111091
  C      -6.701947     -6.981249     11.637804
  O      -6.666262     -8.134665     11.214800
  N      -6.878563     -5.876590     10.830185
  C      -7.058752     -5.815196      9.437842
  C      -7.206507     -6.955633      8.624086
  C      -7.392627     -6.799085      7.254381
  C      -7.427596     -5.530066      6.690368
  F      -7.623768     -5.452981      5.350639
  C      -7.274283     -4.370688      7.465305
  C      -7.250836     -2.963679      6.957938
  O      -7.158607     -2.042405      7.774090
  C      -7.327271     -2.703547      5.467542
  C      -7.093660     -1.275580      5.055939
  C      -8.138037     -0.477773      4.568804
  C      -7.817737      0.806974      4.128692
  N      -6.592973      1.333195      4.149704
  C      -5.569824      0.590594      4.659968
  C      -5.812542     -0.738475      5.107971
  C      -7.096366     -4.551832      8.845942
  H     -10.512630      0.739424      6.623762
  H      -9.541493     -0.611626      7.286365
  H     -10.646346      0.319319      8.340080
  H      -7.514540     -0.117878      7.820782
  H      -5.326198     -0.292734      8.297661
  H      -3.173906      0.773165      9.012956
  H      -5.605696      6.902854      8.560766
  H      -7.023974      5.836310      8.663316
  H      -7.832033      4.977259      6.555967
  H      -7.290774      3.729482      4.446793
  H      -3.591485      5.662275      7.090219
  H      -7.310460      3.497245      8.628556
  H      -2.497535     -2.687185      8.604701
  H      -4.285290     -2.646217      8.483628
  H      -3.454297     -4.195366      8.674711
  H      -1.436289     -2.730693      6.711441
  H       0.196160     -2.490782      5.175445
  H       0.899616     -2.425800      2.784425
  H      -2.555362     -2.628258     -0.432250
  H      -4.300549     -3.026348     -0.563905
  H      -6.013823     -1.578984      0.588936
  H      -6.497653      0.601830      1.727745
  H      -1.816472     -0.543427      0.658354
  H      -3.790903     -3.597685      3.944712
  H      -6.213601     -7.519791     13.646107
  H      -5.917463     -5.788530     13.286229
  H      -7.578524     -6.380028     13.513134
  H      -6.872690     -4.975225     11.300402
  H      -7.171891     -7.944834      9.072349
  H      -7.513776     -7.667313      6.606279
  H      -8.314927     -3.055715      5.123144
  H      -6.595094     -3.367098      4.983539
  H      -9.160988     -0.851668      4.509996
  H      -8.603912      1.452884      3.719694
  H      -4.998375     -1.374567      5.447850
  H      -6.979539     -3.650118      9.450940
  N      -4.500606      4.030391      1.970897
  H      -5.098199      4.824987      2.197271
  H      -4.625415      3.755659      0.996028
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957856229534
  N      -3.075931      4.242333      4.694048
  Mo     -3.837756      2.798836      3.325603
  N      -4.329466      1.178680      4.662873
  C      -3.267484      0.425067      5.312716
  C      -2.105507      1.330240      5.673554
  N      -1.622930      2.049581      4.489802
  C      -0.885071      3.281657      4.807888
  C      -1.820699      4.327673      5.398840
  C      -0.847378      1.204793      3.569363
  C      -1.033126      1.741164      2.148588
  N      -2.447348      1.931026      1.948564
  H      -1.348286      5.323205      5.306000
  H      -1.965882      4.152407      6.482275
  H      -0.467212      3.660077      3.865152
  H      -0.039182      3.077390      5.491924
  H      -0.587002      1.044703      1.420045
  H      -0.514563      2.704575      2.022758
  H      -1.249016      0.183748      3.611003
  H       0.217769      1.163847      3.868957
  H      -3.630197     -0.029545      6.251289
  H      -2.920883     -0.416382      4.679536
  H      -2.451301      2.072764      6.404942
  H      -1.291707      0.744075      6.147369
  C      -9.930033      0.354481      7.473839
  C      -8.874468      1.375613      7.847049
  O      -9.158356      2.565108      8.012717
  N      -7.615276      0.852808      8.008155
  C      -6.448849      1.507365      8.422609
  C      -5.274276      0.738643      8.518806
  C      -4.077738      1.322538      8.919557
  C      -4.048175      2.677037      9.229609
  F      -2.850073      3.229876      9.552297
  C      -5.193383      3.476148      9.139283
  C      -5.148793      4.952373      9.400233
  O      -4.481735      5.432859     10.304266
  C      -5.946638      5.840602      8.431266
  C      -5.737910      5.376655      7.012282
  C      -6.802031      4.884955      6.236471
  C      -6.515943      4.197666      5.059692
  N      -5.263765      4.011225      4.639020
  C      -4.224711      4.583479      5.316227
  C      -4.435071      5.276360      6.524008
  C      -6.393077      2.871933      8.733582
  C      -3.405766     -3.266882      8.191809
  C      -3.383620     -3.418778      6.685203
  O      -4.364898     -3.821833      6.060648
  N      -2.194268     -3.072829      6.086440
  C      -1.858306     -3.054631      4.719968
  C      -0.533985     -2.711618      4.393171
  C      -0.126619     -2.644285      3.066778
  C      -1.051855     -2.896191      2.061539
  F      -0.610927     -2.834131      0.774367
  C      -2.378121     -3.233510      2.342014
  C      -3.441821     -3.497023      1.305349
  O      -4.298008     -4.341653      1.518924
  C      -3.503631     -2.596010      0.071870
  C      -3.858821     -1.203774      0.544007
  C      -5.201654     -0.879301      0.817875
  C      -5.481813      0.326178      1.453179
  N      -4.522367      1.187459      1.807934
  C      -3.220318      0.927390      1.477409
  C      -2.860393     -0.280798      0.842016
  C      -2.765171     -3.330406      3.689084
  C      -6.643814     -6.569112     13.155494
  C      -6.741131     -6.925164     11.684630
  O      -6.683349     -8.082183     11.273825
  N      -6.921298     -5.831235     10.863067
  C      -7.080312     -5.787441      9.467474
  C      -7.207588     -6.938139      8.665056
  C      -7.373377     -6.798495      7.290928
  C      -7.408389     -5.536160      6.711463
  F      -7.585238     -5.476509      5.368537
  C      -7.274616     -4.367023      7.475255
  C      -7.252917     -2.963036      6.957862
  O      -7.184609     -2.037455      7.770222
  C      -7.311591     -2.709559      5.465448
  C      -7.080958     -1.280894      5.054027
  C      -8.126192     -0.485708      4.563819
  C      -7.808971      0.800787      4.127490
  N      -6.585526      1.329885      4.149575
  C      -5.560067      0.589549      4.658293
  C      -5.800546     -0.739983      5.109438
  C      -7.117508     -4.531415      8.860118
  H     -10.479309      0.718388      6.596228
  H      -9.519230     -0.639250      7.260610
  H     -10.643353      0.277827      8.307363
  H      -7.497639     -0.144253      7.792012
  H      -5.309759     -0.321404      8.264563
  H      -3.157372      0.740354      8.979465
  H      -5.599708      6.869814      8.598430
  H      -7.015359      5.798988      8.696083
  H      -7.830825      4.951016      6.589486
  H      -7.296768      3.721090      4.468186
  H      -3.589999      5.653051      7.102288
  H      -7.301527      3.460011      8.648053
  H      -2.520013     -2.765929      8.603524
  H      -4.306240     -2.701762      8.467805
  H      -3.493810     -4.264861      8.644869
  H      -1.453653     -2.768591      6.711866
  H       0.184463     -2.499542      5.188297
  H       0.901853     -2.398655      2.801870
  H      -2.537973     -2.594900     -0.449255
  H      -4.278795     -3.006345     -0.587243
  H      -6.005964     -1.574806      0.579436
  H      -6.500346      0.598839      1.729444
  H      -1.815300     -0.509553      0.636695
  H      -3.791253     -3.604396      3.917405
  H      -6.244881     -7.430492     13.700346
  H      -6.000917     -5.693811     13.326664
  H      -7.644389     -6.335662     13.550466
  H      -6.927808     -4.924460     11.322870
  H      -7.173283     -7.922033      9.125072
  H      -7.479079     -7.674967      6.651120
  H      -8.287151     -3.073683      5.102750
  H      -6.562317     -3.367615      5.000725
  H      -9.147544     -0.863247      4.502565
  H      -8.596104      1.444807      3.717013
  H      -4.984910     -1.374619      5.448180
  H      -7.015610     -3.621566      9.455538
  N      -4.522300      4.042805      1.976297
  H      -5.125349      4.831225      2.210728
  H      -4.648019      3.773159      1.000120
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957902383008
  N      -3.079188      4.242205      4.690859
  Mo     -3.841822      2.796712      3.324677
  N      -4.330816      1.178241      4.665456
  C      -3.267910      0.426007      5.315354
  C      -2.105878      1.331930      5.673739
  N      -1.624592      2.050210      4.488978
  C      -0.887741      3.283311      4.804939
  C      -1.823785      4.329211      5.395022
  C      -0.849036      1.204766      3.569216
  C      -1.036924      1.737779      2.147576
  N      -2.451316      1.926500      1.948998
  H      -1.351935      5.324919      5.300929
  H      -1.968439      4.155133      6.478774
  H      -0.470957      3.660799      3.861343
  H      -0.041124      3.080855      5.488640
  H      -0.591492      1.039957      1.419932
  H      -0.519020      2.701221      2.019107
  H      -1.249292      0.183436      3.613293
  H       0.216510      1.165926      3.867593
  H      -3.629538     -0.026956      6.255024
  H      -2.922214     -0.416669      4.683128
  H      -2.451361      2.074966      6.404758
  H      -1.291369      0.746517      6.147356
  C      -9.885222      0.315899      7.468020
  C      -8.843033      1.351343      7.838948
  O      -9.144435      2.536104      8.006818
  N      -7.576589      0.846326      8.000584
  C      -6.419739      1.515889      8.418801
  C      -5.237776      0.759768      8.521832
  C      -4.049322      1.356777      8.927704
  C      -4.035380      2.712209      9.235187
  F      -2.844891      3.278220      9.563202
  C      -5.188244      3.499325      9.137906
  C      -5.158790      4.976840      9.396225
  O      -4.498345      5.465181     10.300972
  C      -5.955479      5.856536      8.418585
  C      -5.742600      5.385120      7.002706
  C      -6.805983      4.890792      6.227688
  C      -6.519023      4.199142      5.053864
  N      -5.266738      4.011295      4.635178
  C      -4.227608      4.585631      5.311370
  C      -4.438713      5.282788      6.516568
  C      -6.380040      2.881768      8.728002
  C      -3.395994     -3.232486      8.191635
  C      -3.369770     -3.401169      6.687012
  O      -4.342443     -3.831319      6.067213
  N      -2.186174     -3.044362      6.083848
  C      -1.852783     -3.039336      4.716959
  C      -0.530570     -2.695312      4.383165
  C      -0.128962     -2.634117      3.054738
  C      -1.057958     -2.894059      2.054946
  F      -0.623716     -2.836367      0.765424
  C      -2.381820     -3.234236      2.342889
  C      -3.449537     -3.499968      1.311043
  O      -4.299611     -4.351295      1.524263
  C      -3.513433     -2.601116      0.075849
  C      -3.866008     -1.207679      0.547251
  C      -5.208390     -0.881070      0.821048
  C      -5.487013      0.324911      1.455883
  N      -4.526459      1.184717      1.810129
  C      -3.224392      0.923269      1.479004
  C      -2.865736     -0.285893      0.844235
  C      -2.763021     -3.324541      3.691786
  C      -6.691401     -6.614453     13.155800
  C      -6.790040     -6.960821     11.682771
  O      -6.759563     -8.117234     11.267290
  N      -6.939496     -5.859190     10.865412
  C      -7.095983     -5.805261      9.469902
  C      -7.241089     -6.949355      8.660937
  C      -7.401655     -6.799600      7.287251
  C      -7.415171     -5.533739      6.714648
  F      -7.585516     -5.463617      5.371217
  C      -7.264330     -4.371020      7.485076
  C      -7.222609     -2.965813      6.972379
  O      -7.121269     -2.042906      7.784766
  C      -7.305965     -2.709891      5.481918
  C      -7.078122     -1.282510      5.067286
  C      -8.125051     -0.491118      4.574635
  C      -7.810263      0.794227      4.133232
  N      -6.587631      1.325238      4.153060
  C      -5.560832      0.588408      4.664489
  C      -5.799021     -0.739435      5.120758
  C      -7.111340     -4.545404      8.869513
  H     -10.482000      0.699991      6.630969
  H      -9.458502     -0.657460      7.198946
  H     -10.560087      0.186474      8.327056
  H      -7.444083     -0.148596      7.783333
  H      -5.261749     -0.301564      8.269655
  H      -3.123532      0.784146      8.994268
  H      -5.612681      6.887997      8.580408
  H      -7.024712      5.813189      8.681126
  H      -7.835064      4.958713      6.579390
  H      -7.299172      3.720608      4.463053
  H      -3.594087      5.661696      7.094068
  H      -7.293743      3.460459      8.636135
  H      -2.487588     -2.779298      8.608951
  H      -4.264899     -2.612876      8.452848
  H      -3.549132     -4.218672      8.652439
  H      -1.449339     -2.722197      6.704645
  H       0.190160     -2.475845      5.174186
  H       0.897405     -2.386077      2.784035
  H      -2.548662     -2.600915     -0.447024
  H      -4.290126     -3.011281     -0.581578
  H      -6.013540     -1.575739      0.583031
  H      -6.504998      0.598910      1.732798
  H      -1.821037     -0.516845      0.639280
  H      -3.787685     -3.599269      3.926031
  H      -6.274956     -7.473041     13.692074
  H      -6.065726     -5.728191     13.333549
  H      -7.695496     -6.405448     13.555637
  H      -6.924942     -4.954664     11.329343
  H      -7.223927     -7.936110      9.115697
  H      -7.519373     -7.670726      6.642254
  H      -8.287426     -3.072240      5.133645
  H      -6.565502     -3.369801      5.005322
  H      -9.145136     -0.871760      4.512632
  H      -8.598547      1.435179      3.720219
  H      -4.981877     -1.371036      5.462103
  H      -6.996202     -3.640703      9.470635
  N      -4.524950      4.039528      1.973238
  H      -5.127602      4.828595      2.206289
  H      -4.650509      3.768550      0.997398
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957937322175
  N      -3.082107      4.247769      4.684445
  Mo     -3.845187      2.801666      3.319303
  N      -4.330339      1.183045      4.662275
  C      -3.266501      0.433628      5.314031
  C      -2.104315      1.341330      5.668468
  N      -1.625033      2.057614      4.481455
  C      -0.888749      3.292181      4.793048
  C      -1.824434      4.337572      5.384362
  C      -0.850824      1.210383      3.562017
  C      -1.041492      1.740741      2.139904
  N      -2.456324      1.928995      1.943194
  H      -1.354571      5.333953      5.287716
  H      -1.965415      4.164663      6.468726
  H      -0.475783      3.668961      3.847486
  H      -0.039528      3.091914      5.474222
  H      -0.596840      1.043147      1.411638
  H      -0.523979      2.704261      2.010313
  H      -1.250366      0.188973      3.610400
  H       0.215494      1.172729      3.857834
  H      -3.626685     -0.014060      6.257095
  H      -2.921976     -0.411483      4.684633
  H      -2.448580      2.084921      6.399457
  H      -1.289117      0.756773      6.141759
  C      -9.893787      0.333058      7.465264
  C      -8.849050      1.359268      7.853935
  O      -9.145550      2.543817      8.032271
  N      -7.584165      0.847929      8.010308
  C      -6.423572      1.511883      8.426522
  C      -5.243862      0.751422      8.527381
  C      -4.051659      1.345170      8.927581
  C      -4.032106      2.700875      9.233511
  F      -2.838492      3.262818      9.557415
  C      -5.183237      3.491512      9.140115
  C      -5.148745      4.968954      9.396345
  O      -4.484741      5.456513     10.299204
  C      -5.951233      5.848338      8.423815
  C      -5.741445      5.378629      7.007025
  C      -6.805686      4.882937      6.234092
  C      -6.520676      4.195718      5.057121
  N      -5.269178      4.013041      4.633420
  C      -4.229494      4.587158      5.309095
  C      -4.438733      5.279332      6.517668
  C      -6.377924      2.877833      8.733828
  C      -3.361621     -3.238507      8.200121
  C      -3.344186     -3.410979      6.695584
  O      -4.317915     -3.846684      6.081520
  N      -2.166267     -3.046096      6.086252
  C      -1.839163     -3.040423      4.718021
  C      -0.518977     -2.694321      4.378258
  C      -0.124364     -2.631489      3.047929
  C      -1.058121     -2.892469      2.052838
  F      -0.630018     -2.835168      0.760895
  C      -2.379983     -3.234600      2.346886
  C      -3.451983     -3.500578      1.320128
  O      -4.304519     -4.347972      1.541246
  C      -3.521185     -2.605031      0.084036
  C      -3.872849     -1.210083      0.552401
  C      -5.214897     -0.881471      0.824008
  C      -5.492771      0.327486      1.454063
  N      -4.531976      1.187611      1.806514
  C      -3.230105      0.924279      1.476707
  C      -2.871690     -0.288153      0.846986
  C      -2.754229     -3.325619      3.697525
  C      -6.724600     -6.618180     13.158097
  C      -6.814772     -6.963310     11.684287
  O      -6.781253     -8.119429     11.268160
  N      -6.957031     -5.861078     10.866332
  C      -7.103704     -5.806404      9.469957
  C      -7.240398     -6.950364      8.658894
  C      -7.391738     -6.799980      7.284303
  C      -7.405091     -5.533798      6.712770
  F      -7.567255     -5.461510      5.368433
  C      -7.263174     -4.371362      7.485058
  C      -7.223487     -2.966905      6.971648
  O      -7.131419     -2.041921      7.783407
  C      -7.295129     -2.712622      5.480775
  C      -7.069745     -1.285023      5.065160
  C      -8.119323     -0.497635      4.572187
  C      -7.809117      0.789189      4.131615
  N      -6.588364      1.324396      4.152195
  C      -5.558440      0.590355      4.661985
  C      -5.792551     -0.738032      5.119072
  C      -7.118537     -4.545987      8.870642
  H     -10.437108      0.700429      6.585379
  H      -9.473717     -0.656119      7.247337
  H     -10.614541      0.245299      8.291036
  H      -7.456498     -0.146921      7.788983
  H      -5.272265     -0.309906      8.276373
  H      -3.127787      0.769180      8.992776
  H      -5.610201      6.880239      8.585764
  H      -7.019503      5.801999      8.689911
  H      -7.834072      4.948852      6.588276
  H      -7.301593      3.718754      4.466121
  H      -3.593448      5.658025      7.094155
  H      -7.290310      3.458905      8.646028
  H      -2.464381     -2.750569      8.602997
  H      -4.246942     -2.646149      8.468975
  H      -3.473711     -4.226387      8.668470
  H      -1.427632     -2.721948      6.704062
  H       0.205527     -2.473336      5.165271
  H       0.900171     -2.381363      2.772426
  H      -2.558884     -2.605368     -0.442961
  H      -4.300804     -3.017673     -0.568564
  H      -6.020755     -1.575462      0.586454
  H      -6.510894      0.604438      1.727363
  H      -1.827216     -0.521077      0.642938
  H      -3.777233     -3.600816      3.937638
  H      -6.303157     -7.474154     13.694696
  H      -6.107571     -5.726884     13.340344
  H      -7.732216     -6.419203     13.554110
  H      -6.944365     -4.956723     11.330617
  H      -7.223390     -7.937490      9.112703
  H      -7.501903     -7.671059      6.637886
  H      -8.275480     -3.076208      5.129040
  H      -6.552300     -3.371229      5.006899
  H      -9.138040     -0.881825      4.508994
  H      -8.600165      1.428048      3.720614
  H      -4.973414     -1.365733      5.464038
  H      -7.009171     -3.641745      9.473536
  N      -4.531545      4.043468      1.968961
  H      -5.133199      4.832994      2.203383
  H      -4.660706      3.771393      0.993972
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957971888432
  N      -3.089935      4.255179      4.683254
  Mo     -3.846148      2.806211      3.318491
  N      -4.316223      1.181420      4.659374
  C      -3.246330      0.438457      5.308771
  C      -2.088465      1.353361      5.660010
  N      -1.618625      2.075243      4.472984
  C      -0.889510      3.314045      4.785242
  C      -1.831348      4.352234      5.381064
  C      -0.842614      1.234562      3.548648
  C      -1.038726      1.768961      2.128489
  N      -2.455637      1.948938      1.934772
  H      -1.368878      5.352175      5.285559
  H      -1.969028      4.176014      6.465355
  H      -0.481482      3.695453      3.839421
  H      -0.037044      3.117976      5.463483
  H      -0.590751      1.077286      1.396648
  H      -0.527400      2.736203      2.001588
  H      -1.238652      0.211243      3.594056
  H       0.224495      1.199959      3.842437
  H      -3.601564     -0.010187      6.253367
  H      -2.898782     -0.405093      4.679109
  H      -2.434579      2.092772      6.394350
  H      -1.267499      0.772783      6.128405
  C      -9.888245      0.323173      7.490654
  C      -8.839914      1.349237      7.870220
  O      -9.134772      2.535857      8.038985
  N      -7.576428      0.836513      8.031964
  C      -6.414666      1.502717      8.442373
  C      -5.232750      0.745297      8.540139
  C      -4.040243      1.342449      8.933903
  C      -4.022712      2.698977      9.237614
  F      -2.829516      3.264426      9.556197
  C      -5.176054      3.486372      9.147023
  C      -5.146458      4.964248      9.399594
  O      -4.484099      5.457362     10.300651
  C      -5.960563      5.836148      8.430215
  C      -5.753136      5.367876      7.012682
  C      -6.815709      4.864105      6.243089
  C      -6.528369      4.178973      5.065319
  N      -5.276083      4.005957      4.637842
  C      -4.240074      4.587241      5.310796
  C      -4.451835      5.277426      6.519920
  C      -6.370453      2.869292      8.746101
  C      -3.398826     -3.297767      8.155456
  C      -3.364264     -3.474417      6.652059
  O      -4.328327     -3.918902      6.029297
  N      -2.191082     -3.076434      6.052680
  C      -1.852449     -3.051476      4.686881
  C      -0.531286     -2.693232      4.364780
  C      -0.121779     -2.616965      3.039449
  C      -1.042363     -2.875780      2.032112
  F      -0.597291     -2.810375      0.746254
  C      -2.366616     -3.226042      2.307964
  C      -3.423952     -3.494092      1.266925
  O      -4.279889     -4.339384      1.478087
  C      -3.494073     -2.580161      0.043621
  C      -3.854013     -1.193178      0.529237
  C      -5.197269     -0.877841      0.810155
  C      -5.481688      0.324024      1.450715
  N      -4.526072      1.190363      1.803174
  C      -3.224925      0.939377      1.465901
  C      -2.860029     -0.266294      0.827697
  C      -2.755352     -3.330664      3.653412
  C      -6.790987     -6.578055     13.200616
  C      -6.861208     -6.935094     11.728937
  O      -6.844539     -8.096003     11.325542
  N      -6.979720     -5.839439     10.898532
  C      -7.114844     -5.796587      9.500543
  C      -7.253106     -6.946536      8.698735
  C      -7.391969     -6.807315      7.321582
  C      -7.392028     -5.546342      6.738568
  F      -7.540670     -5.487340      5.392655
  C      -7.248838     -4.377687      7.501979
  C      -7.195347     -2.976641      6.980987
  O      -7.085748     -2.051043      7.789931
  C      -7.272237     -2.724062      5.489980
  C      -7.048107     -1.296203      5.072380
  C      -8.101163     -0.510005      4.584737
  C      -7.794577      0.776286      4.140250
  N      -6.574634      1.313262      4.154839
  C      -5.541538      0.582627      4.661063
  C      -5.771218     -0.747014      5.118379
  C      -7.116045     -4.541710      8.889570
  H     -10.439439      0.690746      6.616180
  H      -9.471320     -0.665243      7.268497
  H     -10.602875      0.235876      8.322001
  H      -7.449629     -0.159575      7.815774
  H      -5.259793     -0.316287      8.291740
  H      -3.115016      0.768112      8.996295
  H      -5.626863      6.870877      8.590326
  H      -7.027219      5.781362      8.701169
  H      -7.843527      4.922086      6.600325
  H      -7.307325      3.695657      4.476862
  H      -3.607898      5.662514      7.094118
  H      -7.285121      3.447670      8.662602
  H      -2.488993     -2.847864      8.573281
  H      -4.261786     -2.666720      8.410101
  H      -3.564606     -4.278810      8.621172
  H      -1.463424     -2.744591      6.679265
  H       0.183678     -2.476324      5.161557
  H       0.904758     -2.360323      2.777951
  H      -2.530576     -2.570082     -0.480715
  H      -4.270287     -2.987299     -0.616391
  H      -5.998788     -1.576427      0.571439
  H      -6.500639      0.590247      1.731508
  H      -1.815012     -0.489286      0.616795
  H      -3.778904     -3.615392      3.879719
  H      -6.342449     -7.415417     13.744761
  H      -6.210216     -5.663204     13.383914
  H      -7.808585     -6.417386     13.588217
  H      -6.960198     -4.930785     11.353837
  H      -7.247327     -7.929592      9.161544
  H      -7.502426     -7.683400      6.682131
  H      -8.254661     -3.086482      5.142391
  H      -6.532012     -3.384276      5.013812
  H      -9.120325     -0.894312      4.528544
  H      -8.588525      1.413987      3.733207
  H      -4.949023     -1.372906      5.458512
  H      -7.004616     -3.632989      9.484871
  N      -4.547680      4.044123      1.972855
  H      -5.156481      4.827198      2.209943
  H      -4.676350      3.772510      0.997665
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958069108721
  N      -3.095996      4.263642      4.671793
  Mo     -3.852292      2.811596      3.309825
  N      -4.311774      1.185642      4.654321
  C      -3.237683      0.448418      5.303360
  C      -2.081933      1.368095      5.648713
  N      -1.618129      2.088879      4.458748
  C      -0.892081      3.330558      4.765991
  C      -1.834937      4.366298      5.364041
  C      -0.842784      1.248720      3.533667
  C      -1.045442      1.779518      2.113299
  N      -2.463293      1.955168      1.923985
  H      -1.376496      5.367709      5.264868
  H      -1.967307      4.191361      6.449172
  H      -0.489213      3.711822      3.817885
  H      -0.036225      3.138586      5.441123
  H      -0.598074      1.087662      1.381238
  H      -0.537421      2.747993      1.982542
  H      -1.235509      0.224358      3.582510
  H       0.225407      1.218071      3.823817
  H      -3.589247      0.002121      6.250389
  H      -2.889106     -0.396346      4.675840
  H      -2.428316      2.107965      6.382502
  H      -1.257620      0.791253      6.115867
  C      -9.861134      0.300272      7.509185
  C      -8.819363      1.332414      7.890176
  O      -9.121912      2.516000      8.065984
  N      -7.551522      0.827887      8.043502
  C      -6.392000      1.499978      8.450690
  C      -5.206280      0.748247      8.544618
  C      -4.015226      1.351185      8.934022
  C      -4.002756      2.707895      9.236766
  F      -2.811004      3.279157      9.550053
  C      -5.159909      3.489952      9.149309
  C      -5.136077      4.968517      9.398235
  O      -4.470482      5.467391     10.293669
  C      -5.958476      5.833876      8.429982
  C      -5.753879      5.364071      7.012365
  C      -6.817575      4.856777      6.246418
  C      -6.532294      4.174030      5.066824
  N      -5.281175      4.006644      4.633871
  C      -4.244191      4.590137      5.304268
  C      -4.453924      5.278026      6.515032
  C      -6.353073      2.866871      8.753678
  C      -3.402467     -3.312928      8.157747
  C      -3.365748     -3.479924      6.653209
  O      -4.323295     -3.933574      6.027097
  N      -2.194582     -3.072333      6.056592
  C      -1.855472     -3.043548      4.691243
  C      -0.536984     -2.675853      4.369180
  C      -0.128805     -2.594756      3.043645
  C      -1.048056     -2.859143      2.036474
  F      -0.605234     -2.786201      0.750285
  C      -2.369430     -3.219708      2.312558
  C      -3.426174     -3.490482      1.271649
  O      -4.271533     -4.348387      1.475614
  C      -3.496026     -2.579874      0.045681
  C      -3.857308     -1.192230      0.527811
  C      -5.200891     -0.878701      0.809876
  C      -5.486724      0.323663      1.448586
  N      -4.532255      1.192415      1.798056
  C      -3.230715      0.943029      1.459538
  C      -2.864355     -0.263046      0.823189
  C      -2.756746     -3.328552      3.658026
  C      -6.863517     -6.588254     13.209588
  C      -6.918802     -6.944318     11.737077
  O      -6.907931     -8.105678     11.334623
  N      -7.014041     -5.848048     10.904573
  C      -7.132350     -5.804587      9.505069
  C      -7.264122     -6.953815      8.701158
  C      -7.385736     -6.813699      7.322408
  C      -7.375379     -5.552512      6.739865
  F      -7.506474     -5.492627      5.392184
  C      -7.238023     -4.384573      7.505530
  C      -7.175936     -2.983553      6.985443
  O      -7.061726     -2.058759      7.794592
  C      -7.250942     -2.730674      5.494467
  C      -7.032607     -1.302091      5.076807
  C      -8.089298     -0.521403      4.587797
  C      -7.788902      0.765906      4.142385
  N      -6.571249      1.307906      4.155229
  C      -5.534541      0.582703      4.661287
  C      -5.758327     -0.746882      5.122615
  C      -7.122334     -4.549461      8.894596
  H     -10.400313      0.655345      6.621854
  H      -9.438989     -0.690073      7.304627
  H     -10.586656      0.221784      8.331694
  H      -7.418649     -0.166430      7.823180
  H      -5.229419     -0.313614      8.296577
  H      -3.087215      0.781159      8.993021
  H      -5.629965      6.870818      8.586392
  H      -7.023833      5.773857      8.704832
  H      -7.844273      4.911253      6.607416
  H      -7.311734      3.688462      4.480906
  H      -3.609235      5.666017      7.086235
  H      -7.270538      3.441105      8.672447
  H      -2.485751     -2.883304      8.581733
  H      -4.252979     -2.664685      8.412409
  H      -3.591198     -4.292806      8.616650
  H      -1.469327     -2.738375      6.684751
  H       0.176647     -2.454534      5.165966
  H       0.895490     -2.329545      2.781817
  H      -2.532093     -2.570035     -0.478209
  H      -4.271428     -2.989316     -0.613796
  H      -6.001495     -1.579378      0.574162
  H      -6.505747      0.588270      1.730509
  H      -1.819160     -0.484522      0.611316
  H      -3.778531     -3.620061      3.884504
  H      -6.393144     -7.413669     13.753861
  H      -6.312104     -5.656884     13.399490
  H      -7.887740     -6.461401     13.592353
  H      -6.991271     -4.939399     11.359637
  H      -7.267093     -7.937050      9.163674
  H      -7.490616     -7.689266      6.681304
  H      -8.230495     -3.097861      5.144395
  H      -6.506403     -3.387675      5.020469
  H      -9.106305     -0.911183      4.530631
  H      -8.585717      1.399306      3.734155
  H      -4.932903     -1.368386      5.463661
  H      -7.016005     -3.641189      9.491688
  N      -4.559785      4.047227      1.965300
  H      -5.168790      4.829696      2.203951
  H      -4.690828      3.775172      0.990539
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958155590665
  N      -3.106063      4.273206      4.663364
  Mo     -3.860988      2.817797      3.303917
  N      -4.306420      1.189577      4.651689
  C      -3.227401      0.459121      5.300001
  C      -2.074013      1.384164      5.638048
  N      -1.619153      2.105772      4.445230
  C      -0.897638      3.350987      4.748461
  C      -1.842692      4.382040      5.350194
  C      -0.843760      1.268297      3.517933
  C      -1.053748      1.797712      2.098518
  N      -2.472788      1.966503      1.913723
  H      -1.389645      5.385680      5.249157
  H      -1.969730      4.206394      6.435836
  H      -0.500811      3.733652      3.798390
  H      -0.038023      3.163458      5.420048
  H      -0.605405      1.108355      1.364663
  H      -0.551505      2.768914      1.966052
  H      -1.232496      0.242676      3.568487
  H       0.225459      1.242038      3.804359
  H      -3.574613      0.015958      6.250053
  H      -2.878291     -0.387321      4.674945
  H      -2.419991      2.123359      6.372768
  H      -1.244830      0.811487      6.101722
  C      -9.825367      0.269300      7.519833
  C      -8.793146      1.307860      7.908593
  O      -9.107048      2.486358      8.097159
  N      -7.519419      0.815318      8.050879
  C      -6.363805      1.496403      8.454873
  C      -5.171786      0.754038      8.541741
  C      -3.984031      1.365510      8.927974
  C      -3.980757      2.721566      9.233208
  F      -2.792266      3.301625      9.542227
  C      -5.144191      3.494829      9.152039
  C      -5.129528      4.973786      9.400398
  O      -4.459303      5.478525     10.288941
  C      -5.960182      5.832529      8.433300
  C      -5.757790      5.360722      7.015827
  C      -6.822668      4.848571      6.254508
  C      -6.539671      4.167353      5.073654
  N      -5.290111      4.006503      4.634518
  C      -4.252030      4.593263      5.301350
  C      -4.459162      5.279678      6.513385
  C      -6.334588      2.862841      8.761301
  C      -3.413104     -3.339198      8.140347
  C      -3.362288     -3.509476      6.636527
  O      -4.301438     -3.993167      6.005287
  N      -2.199698     -3.070880      6.045051
  C      -1.855412     -3.039012      4.681283
  C      -0.538532     -2.662692      4.362919
  C      -0.128433     -2.575156      3.038284
  C      -1.044033     -2.843087      2.028579
  F      -0.600075     -2.764158      0.743280
  C      -2.363222     -3.213513      2.301381
  C      -3.415735     -3.487963      1.257005
  O      -4.251138     -4.358064      1.451684
  C      -3.488826     -2.572171      0.035062
  C      -3.854786     -1.187468      0.522455
  C      -5.199394     -0.879704      0.807079
  C      -5.489352      0.320763      1.447467
  N      -4.538036      1.193498      1.795244
  C      -3.235647      0.949895      1.454081
  C      -2.864724     -0.254596      0.817370
  C      -2.752780     -3.327595      3.645681
  C      -6.953045     -6.595130     13.232334
  C      -6.998067     -6.949449     11.759087
  O      -7.008428     -8.111514     11.358363
  N      -7.054904     -5.852521     10.924038
  C      -7.156517     -5.808295      9.523231
  C      -7.289853     -6.956144      8.717535
  C      -7.393105     -6.814978      7.337322
  C      -7.363252     -5.553975      6.755026
  F      -7.476172     -5.491880      5.406000
  C      -7.223700     -4.387564      7.522575
  C      -7.144331     -2.987930      7.001379
  O      -7.016205     -2.062898      7.808159
  C      -7.223483     -2.738169      5.510371
  C      -7.012651     -1.310198      5.088893
  C      -8.074079     -0.537653      4.596880
  C      -7.781573      0.749657      4.146744
  N      -6.566988      1.298344      4.156976
  C      -5.525728      0.581281      4.665007
  C      -5.741718     -0.747512      5.132872
  C      -7.126442     -4.553220      8.913075
  H     -10.362241      0.624820      6.630800
  H      -9.396049     -0.717838      7.311949
  H     -10.554482      0.183448      8.338171
  H      -7.377210     -0.175858      7.823152
  H      -5.187513     -0.307646      8.291082
  H      -3.051613      0.802509      8.981800
  H      -5.637787      6.871927      8.585882
  H      -7.024276      5.766450      8.711457
  H      -7.847946      4.898843      6.620056
  H      -7.319531      3.678152      4.491288
  H      -3.613630      5.671378      7.080874
  H      -7.256731      3.430150      8.684460
  H      -2.487842     -2.940895      8.576292
  H      -4.242456     -2.658125      8.380887
  H      -3.645518     -4.309953      8.597771
  H      -1.484453     -2.721212      6.676086
  H       0.172044     -2.439377      5.161932
  H       0.894556     -2.302313      2.779068
  H      -2.524698     -2.556050     -0.488581
  H      -4.262068     -2.981407     -0.626967
  H      -5.997417     -1.583376      0.571434
  H      -6.508893      0.580596      1.731965
  H      -1.818959     -0.472114      0.603768
  H      -3.773281     -3.626248      3.869305
  H      -6.439389     -7.397894     13.772147
  H      -6.452331     -5.636993     13.428104
  H      -7.982220     -6.528321     13.617278
  H      -7.016741     -4.944077     11.378261
  H      -7.308609     -7.939274      9.179952
  H      -7.498125     -7.689571      6.694887
  H      -8.200091     -3.112337      5.160421
  H      -6.474609     -3.392505      5.039269
  H      -9.088233     -0.934613      4.539624
  H      -8.581966      1.376505      3.735277
  H      -4.911552     -1.361870      5.476421
  H      -7.019257     -3.645829      9.511522
  N      -4.581268      4.048232      1.961456
  H      -5.193278      4.827613      2.202533
  H      -4.714405      3.774855      0.987313
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958225352560
  N      -3.115734      4.285025      4.652375
  Mo     -3.868673      2.826200      3.296130
  N      -4.298787      1.195252      4.646972
  C      -3.214233      0.473341      5.295751
  C      -2.064841      1.405871      5.626471
  N      -1.618644      2.126248      4.429888
  C      -0.901743      3.375517      4.726579
  C      -1.849014      4.402839      5.331516
  C      -0.844135      1.289590      3.501271
  C      -1.061826      1.814687      2.081569
  N      -2.482173      1.978283      1.901935
  H      -1.402587      5.408848      5.225076
  H      -1.968615      4.229238      6.418280
  H      -0.512270      3.758348      3.773524
  H      -0.037342      3.193795      5.393576
  H      -0.614301      1.124803      1.347706
  H      -0.563225      2.787094      1.943965
  H      -1.229520      0.262827      3.555322
  H       0.226259      1.267517      3.783603
  H      -3.557225      0.033005      6.248588
  H      -2.862617     -0.374427      4.673889
  H      -2.412356      2.145170      6.360371
  H      -1.230750      0.838901      6.088495
  C      -9.790469      0.246645      7.532655
  C      -8.762592      1.288005      7.925001
  O      -9.083170      2.463403      8.121352
  N      -7.485628      0.802472      8.060940
  C      -6.332908      1.489298      8.464393
  C      -5.136902      0.753607      8.551036
  C      -3.952522      1.371962      8.937091
  C      -3.956384      2.728295      9.241032
  F      -2.771316      3.314956      9.549936
  C      -5.123785      3.495149      9.159058
  C      -5.118183      4.974655      9.404042
  O      -4.446278      5.486956     10.286951
  C      -5.959880      5.824750      8.438728
  C      -5.761626      5.352758      7.020622
  C      -6.827396      4.835017      6.264343
  C      -6.546465      4.157026      5.081179
  N      -5.298309      4.005277      4.634476
  C      -4.260240      4.596844      5.297182
  C      -4.465226      5.279797      6.511448
  C      -6.310965      2.855894      8.770366
  C      -3.427735     -3.375617      8.134342
  C      -3.370559     -3.538972      6.630181
  O      -4.297162     -4.038940      5.993357
  N      -2.215659     -3.073230      6.043498
  C      -1.867760     -3.034050      4.680887
  C      -0.552200     -2.650581      4.366600
  C      -0.139736     -2.557746      3.042853
  C      -1.051746     -2.828270      2.030728
  F      -0.604879     -2.745225      0.746751
  C      -2.370343     -3.204592      2.299568
  C      -3.418470     -3.482079      1.251639
  O      -4.249207     -4.357754      1.440375
  C      -3.490253     -2.565124      0.029889
  C      -3.857457     -1.180813      0.516663
  C      -5.202516     -0.876761      0.804257
  C      -5.494665      0.322724      1.445025
  N      -4.545082      1.198457      1.790108
  C      -3.242928      0.958436      1.445823
  C      -2.869750     -0.244958      0.808705
  C      -2.762073     -3.323071      3.642706
  C      -7.042971     -6.584506     13.248809
  C      -7.067417     -6.942692     11.776220
  O      -7.094618     -8.106751     11.381840
  N      -7.087588     -5.849630     10.934728
  C      -7.170851     -5.810522      9.532465
  C      -7.293240     -6.960912      8.728868
  C      -7.376660     -6.824534      7.346789
  C      -7.337554     -5.565646      6.760475
  F      -7.428899     -5.509140      5.409925
  C      -7.208018     -4.396476      7.526225
  C      -7.118412     -2.998616      7.001837
  O      -6.987817     -2.072556      7.806912
  C      -7.192027     -2.750825      5.510280
  C      -6.988220     -1.321827      5.089443
  C      -8.054364     -0.556729      4.595737
  C      -7.770533      0.732440      4.145941
  N      -6.559621      1.288874      4.156469
  C      -5.513821      0.579652      4.664438
  C      -5.721276     -0.750191      5.134829
  C      -7.130836     -4.557532      8.918494
  H     -10.304154      0.586682      6.623634
  H      -9.362056     -0.746611      7.353725
  H     -10.539708      0.182003      8.334313
  H      -7.338127     -0.186708      7.828956
  H      -5.146880     -0.308517      8.301258
  H      -3.017133      0.814096      8.991793
  H      -5.644717      6.866984      8.587363
  H      -7.021948      5.751471      8.722597
  H      -7.850968      4.878734      6.635428
  H      -7.326373      3.662959      4.502970
  H      -3.619145      5.676287      7.074809
  H      -7.236497      3.417734      8.693299
  H      -2.493446     -3.010669      8.579902
  H      -4.234952     -2.667440      8.373503
  H      -3.697906     -4.340276      8.583169
  H      -1.506053     -2.718958      6.678284
  H       0.155827     -2.426620      5.167683
  H       0.882588     -2.279802      2.786415
  H      -2.525429     -2.549621     -0.492608
  H      -4.262826     -2.974121     -0.632954
  H      -5.999122     -1.583083      0.571689
  H      -6.514227      0.578967      1.732548
  H      -1.823882     -0.459525      0.592978
  H      -3.781717     -3.627129      3.864037
  H      -6.483819     -7.356005     13.789876
  H      -6.602959     -5.598367     13.449694
  H      -8.075476     -6.585020     13.630500
  H      -7.043456     -4.939677     11.385123
  H      -7.319937     -7.942288      9.194659
  H      -7.472352     -7.701432      6.706052
  H      -8.164580     -3.130983      5.155944
  H      -6.436872     -3.401277      5.043478
  H      -9.065328     -0.961327      4.536041
  H      -8.574691      1.353658      3.733296
  H      -4.886436     -1.357859      5.479646
  H      -7.030694     -3.648176      9.515389
  N      -4.601148      4.052190      1.956488
  H      -5.213393      4.830650      2.199863
  H      -4.738835      3.777315      0.983386
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958279737445
  N      -3.121912      4.291725      4.643959
  Mo     -3.872172      2.829001      3.291118
  N      -4.291580      1.196730      4.644034
  C      -3.203178      0.480032      5.292021
  C      -2.056544      1.417568      5.618265
  N      -1.617389      2.138659      4.419439
  C      -0.903947      3.390734      4.713171
  C      -1.853609      4.415342      5.319486
  C      -0.842575      1.304301      3.488859
  C      -1.064519      1.829552      2.069807
  N      -2.486156      1.987543      1.892849
  H      -1.411533      5.422990      5.210528
  H      -1.969709      4.242542      6.406714
  H      -0.518054      3.774124      3.758927
  H      -0.037412      3.212327      5.378271
  H      -0.615629      1.141445      1.335157
  H      -0.569957      2.803861      1.931202
  H      -1.225861      0.276594      3.542745
  H       0.228362      1.284305      3.769344
  H      -3.542728      0.040327      6.246507
  H      -2.849779     -0.367719      4.671244
  H      -2.404828      2.156294      6.352388
  H      -1.218644      0.854580      6.078100
  C      -9.779341      0.238507      7.555021
  C      -8.751134      1.279820      7.946804
  O      -9.072380      2.454951      8.144360
  N      -7.472754      0.796309      8.075773
  C      -6.319038      1.485715      8.471801
  C      -5.120380      0.753277      8.551052
  C      -3.935274      1.375099      8.929310
  C      -3.941077      2.731495      9.232766
  F      -2.755730      3.321458      9.533918
  C      -5.111046      3.495181      9.157598
  C      -5.108046      4.974931      9.400763
  O      -4.434025      5.490331     10.280132
  C      -5.959031      5.821019      8.439992
  C      -5.764594      5.350485      7.020897
  C      -6.830708      4.827716      6.268703
  C      -6.550835      4.149919      5.085159
  N      -5.303629      4.002675      4.634289
  C      -4.266209      4.599181      5.292597
  C      -4.469924      5.282861      6.506791
  C      -6.298873      2.852445      8.776818
  C      -3.449517     -3.422996      8.117527
  C      -3.375993     -3.583100      6.613862
  O      -4.285289     -4.104391      5.969150
  N      -2.230401     -3.083122      6.036473
  C      -1.874335     -3.030738      4.676267
  C      -0.562240     -2.627785      4.372213
  C      -0.142977     -2.522168      3.051473
  C      -1.044888     -2.799496      2.032201
  F      -0.591036     -2.704224      0.751369
  C      -2.360111     -3.194250      2.290880
  C      -3.398254     -3.480184      1.235251
  O      -4.217819     -4.367973      1.414517
  C      -3.474619     -2.558504      0.017358
  C      -3.848714     -1.177465      0.506920
  C      -5.194236     -0.882539      0.801372
  C      -5.490961      0.314268      1.445193
  N      -4.545339      1.195502      1.787888
  C      -3.243701      0.963751      1.437970
  C      -2.866072     -0.235691      0.796128
  C      -2.758334     -3.325054      3.630885
  C      -7.089348     -6.580145     13.264385
  C      -7.111660     -6.937415     11.791772
  O      -7.152972     -8.101851     11.399566
  N      -7.110324     -5.846087     10.948075
  C      -7.187439     -5.809280      9.545400
  C      -7.310422     -6.960703      8.743383
  C      -7.386471     -6.826588      7.360704
  C      -7.338591     -5.569066      6.772051
  F      -7.422097     -5.514814      5.421190
  C      -7.207211     -4.399069      7.536227
  C      -7.105741     -3.002774      7.009857
  O      -6.961416     -2.077689      7.813914
  C      -7.175584     -2.755933      5.517860
  C      -6.973304     -1.327106      5.095566
  C      -8.042450     -0.564739      4.603941
  C      -7.763036      0.724484      4.151848
  N      -6.553333      1.283523      4.158700
  C      -5.504375      0.577381      4.664323
  C      -5.707288     -0.752719      5.136756
  C      -7.138196     -4.557722      8.929238
  H     -10.288123      0.575512      6.642269
  H      -9.353296     -0.756695      7.382226
  H     -10.532654      0.180523      8.353312
  H      -7.324904     -0.192535      7.842458
  H      -5.128804     -0.308847      8.301909
  H      -2.997649      0.820226      8.978201
  H      -5.648583      6.864833      8.587408
  H      -7.019457      5.742204      8.728570
  H      -7.853159      4.867223      6.643349
  H      -7.330847      3.652537      4.509910
  H      -3.623509      5.683058      7.066941
  H      -7.226539      3.411495      8.705786
  H      -2.508050     -3.100848      8.580496
  H      -4.229477     -2.682039      8.348702
  H      -3.769107     -4.377089      8.555889
  H      -1.532426     -2.717168      6.677547
  H       0.137875     -2.399149      5.178888
  H       0.877137     -2.229419      2.802837
  H      -2.509160     -2.537468     -0.503973
  H      -4.244228     -2.969842     -0.647660
  H      -5.987500     -1.593366      0.570987
  H      -6.510932      0.563846      1.737065
  H      -1.819816     -0.443232      0.575626
  H      -3.775017     -3.643212      3.844445
  H      -6.478954     -7.318640     13.796830
  H      -6.708946     -5.570174     13.467251
  H      -8.115409     -6.648924     13.656659
  H      -7.058390     -4.935787     11.396735
  H      -7.344051     -7.940963      9.211106
  H      -7.482083     -7.704351      6.721157
  H      -8.145067     -3.139382      5.159293
  H      -6.415867     -3.405497      5.056488
  H      -9.052932     -0.971331      4.549320
  H      -8.569749      1.343696      3.741166
  H      -4.869383     -1.357079      5.480201
  H      -7.035665     -3.647691      9.524585
  N      -4.616413      4.049222      1.953031
  H      -5.232208      4.824528      2.197618
  H      -4.755532      3.772754      0.980630
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958303728757
  N      -3.118448      4.291469      4.644261
  Mo     -3.868692      2.830000      3.291546
  N      -4.297019      1.200796      4.645069
  C      -3.212569      0.482234      5.297851
  C      -2.065712      1.418251      5.627456
  N      -1.620330      2.134292      4.427714
  C      -0.902742      3.384391      4.719508
  C      -1.850251      4.414425      5.320582
  C      -0.845850      1.294414      3.501792
  C      -1.061803      1.815550      2.080166
  N      -2.482522      1.978948      1.899049
  H      -1.405386      5.420350      5.207355
  H      -1.968262      4.246704      6.408326
  H      -0.513206      3.763688      3.765123
  H      -0.038511      3.204451      5.387162
  H      -0.614493      1.121121      1.350528
  H      -0.562065      2.786605      1.937312
  H      -1.233383      0.268225      3.556888
  H       0.224139      1.270884      3.785765
  H      -3.557033      0.042007      6.250244
  H      -2.857380     -0.365915      4.678728
  H      -2.416233      2.160332      6.357060
  H      -1.230834      0.855379      6.092772
  C      -9.796661      0.272730      7.529306
  C      -8.764233      1.304154      7.935730
  O      -9.079562      2.480763      8.134880
  N      -7.489606      0.812268      8.070287
  C      -6.333705      1.494692      8.472612
  C      -5.139993      0.755258      8.563213
  C      -3.953879      1.372205      8.947127
  C      -3.953973      2.729785      9.245399
  F      -2.767397      3.313397      9.554008
  C      -5.118933      3.499988      9.159768
  C      -5.110115      4.979948      9.400774
  O      -4.435721      5.493833     10.280606
  C      -5.955554      5.828868      8.437419
  C      -5.760947      5.357587      7.018700
  C      -6.827557      4.838092      6.265090
  C      -6.548174      4.158486      5.082333
  N      -5.300903      4.006768      4.633228
  C      -4.263067      4.601418      5.292021
  C      -4.465998      5.286358      6.505749
  C      -6.307414      2.862523      8.772470
  C      -3.449844     -3.435348      8.137591
  C      -3.377718     -3.601379      6.634823
  O      -4.286909     -4.124234      5.991150
  N      -2.237283     -3.090185      6.055900
  C      -1.880289     -3.041317      4.695594
  C      -0.564740     -2.650506      4.390527
  C      -0.144709     -2.552226      3.069449
  C      -1.048851     -2.823991      2.050606
  F      -0.592100     -2.740154      0.770013
  C      -2.368398     -3.204491      2.310170
  C      -3.408449     -3.488479      1.255726
  O      -4.238607     -4.364350      1.443728
  C      -3.482350     -2.569459      0.035323
  C      -3.852508     -1.185206      0.517907
  C      -5.197796     -0.884672      0.808153
  C      -5.492317      0.315433      1.446851
  N      -4.544621      1.194514      1.789810
  C      -3.243299      0.957123      1.443835
  C      -2.868154     -0.244896      0.805133
  C      -2.767020     -3.328243      3.650610
  C      -6.998825     -6.591678     13.238793
  C      -7.053327     -6.938973     11.764913
  O      -7.100018     -8.102347     11.369865
  N      -7.066946     -5.845195     10.925015
  C      -7.167357     -5.805144      9.523733
  C      -7.286041     -6.956065      8.720371
  C      -7.383666     -6.819672      7.339377
  C      -7.357501     -5.560311      6.753343
  F      -7.460575     -5.503474      5.404115
  C      -7.228866     -4.390796      7.518764
  C      -7.138366     -2.993443      6.993316
  O      -7.009530     -2.067393      7.798766
  C      -7.193550     -2.747605      5.499934
  C      -6.986145     -1.318574      5.080647
  C      -8.052757     -0.551046      4.591637
  C      -7.769193      0.738736      4.143830
  N      -6.557949      1.294662      4.154683
  C      -5.511497      0.583630      4.658644
  C      -5.718391     -0.748322      5.124343
  C      -7.141709     -4.551457      8.910652
  H     -10.249522      0.586253      6.579442
  H      -9.388334     -0.737791      7.414543
  H     -10.591330      0.264883      8.288283
  H      -7.349038     -0.178349      7.839250
  H      -5.152015     -0.307784      8.318495
  H      -3.018953      0.813473      9.005859
  H      -5.640556      6.871347      8.584910
  H      -7.016772      5.755346      8.724387
  H      -7.850487      4.881100      6.638084
  H      -7.329175      3.663327      4.506493
  H      -3.619125      5.683922      7.066967
  H      -7.231735      3.425928      8.693862
  H      -2.503428     -3.122790      8.597501
  H      -4.222572     -2.688427      8.371670
  H      -3.773901     -4.386633      8.579117
  H      -1.538276     -2.724975      6.696514
  H       0.137581     -2.426972      5.196699
  H       0.878352     -2.270730      2.819887
  H      -2.516168     -2.555528     -0.484786
  H      -4.252778     -2.980787     -0.628906
  H      -5.992837     -1.593568      0.578021
  H      -6.512380      0.569349      1.734713
  H      -1.821951     -0.456159      0.588384
  H      -3.785551     -3.637974      3.865683
  H      -6.323041     -7.294412     13.741057
  H      -6.675448     -5.562135     13.441675
  H      -8.002235     -6.733003     13.667227
  H      -7.017395     -4.935892     11.375783
  H      -7.301666     -7.937527      9.186532
  H      -7.477634     -7.697015      6.699025
  H      -8.158163     -3.132149      5.130044
  H      -6.427469     -3.397244      5.048219
  H      -9.064563     -0.954503      4.536993
  H      -8.573850      1.362651      3.736316
  H      -4.882239     -1.355286      5.466581
  H      -7.039972     -3.641854      9.506845
  N      -4.610151      4.047880      1.950367
  H      -5.221520      4.827674      2.191849
  H      -4.751907      3.767857      0.979386
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958326455750
  N      -3.124941      4.294026      4.644369
  Mo     -3.871660      2.830649      3.291832
  N      -4.290803      1.197986      4.644208
  C      -3.202082      0.482636      5.293186
  C      -2.057970      1.422638      5.621299
  N      -1.618636      2.143047      4.421876
  C      -0.905693      3.395673      4.714881
  C      -1.856293      4.420787      5.319025
  C      -0.842106      1.308627      3.492726
  C      -1.062722      1.832387      2.072976
  N      -2.484438      1.989161      1.894900
  H      -1.415471      5.428625      5.207095
  H      -1.972123      4.250614      6.406629
  H      -0.518929      3.778219      3.760681
  H      -0.039962      3.217893      5.381167
  H      -0.613117      1.142289      1.340647
  H      -0.568192      2.806346      1.932272
  H      -1.225037      0.280816      3.546130
  H       0.228450      1.288926      3.774731
  H      -3.542058      0.040180      6.246283
  H      -2.845462     -0.363404      4.671886
  H      -2.409285      2.161874      6.353451
  H      -1.219554      0.862374      6.083247
  C      -9.776050      0.250351      7.544147
  C      -8.750410      1.290342      7.945961
  O      -9.074666      2.463731      8.149047
  N      -7.472095      0.807687      8.078409
  C      -6.320018      1.497588      8.478346
  C      -5.121530      0.765412      8.564699
  C      -3.937863      1.389256      8.944608
  C      -3.945324      2.746587      9.243630
  F      -2.760992      3.337665      9.547086
  C      -5.115400      3.509608      9.162614
  C      -5.113452      4.989682      9.402085
  O      -4.440726      5.507465     10.280922
  C      -5.962425      5.832964      8.437294
  C      -5.767298      5.356085      7.020535
  C      -6.833085      4.830596      6.269729
  C      -6.553207      4.149764      5.087761
  N      -5.306178      4.001397      4.637218
  C      -4.269253      4.600134      5.293936
  C      -4.472410      5.286376      6.506893
  C      -6.301311      2.865420      8.778674
  C      -3.461710     -3.475855      8.106129
  C      -3.381081     -3.633135      6.602743
  O      -4.279301     -4.167667      5.953255
  N      -2.244919     -3.104910      6.031485
  C      -1.881502     -3.045028      4.673268
  C      -0.568329     -2.638843      4.377552
  C      -0.142830     -2.526724      3.059408
  C      -1.039071     -2.800463      2.034089
  F      -0.577814     -2.701861      0.756180
  C      -2.355114     -3.197813      2.284220
  C      -3.387343     -3.483013      1.222581
  O      -4.208488     -4.370289      1.398503
  C      -3.464579     -2.554886      0.009872
  C      -3.841097     -1.176443      0.503948
  C      -5.187092     -0.884838      0.799913
  C      -5.486182      0.310788      1.445042
  N      -4.542357      1.193607      1.788933
  C      -3.240584      0.964644      1.438762
  C      -2.860539     -0.232567      0.793810
  C      -2.759656     -3.334942      3.621791
  C      -7.052675     -6.581370     13.266115
  C      -7.103013     -6.932395     11.792970
  O      -7.163747     -8.096397     11.401511
  N      -7.099657     -5.841108     10.949585
  C      -7.190215     -5.804176      9.547525
  C      -7.318177     -6.955963      8.746522
  C      -7.405791     -6.822084      7.364627
  C      -7.361957     -5.564650      6.775510
  F      -7.458735     -5.509718      5.425727
  C      -7.223671     -4.394715      7.538398
  C      -7.117709     -2.999724      7.009732
  O      -6.981627     -2.072595      7.812770
  C      -7.172490     -2.757308      5.516242
  C      -6.969847     -1.329111      5.091851
  C      -8.040369     -0.566420      4.603810
  C      -7.762516      0.723465      4.152633
  N      -6.553138      1.283557      4.158915
  C      -5.503012      0.577230      4.661966
  C      -5.704003     -0.754535      5.130674
  C      -7.145955     -4.552634      8.931185
  H     -10.253458      0.573359      6.609623
  H      -9.355632     -0.752223      7.404382
  H     -10.554418      0.217657      8.319382
  H      -7.324759     -0.181730      7.846438
  H      -5.128169     -0.297498      8.319054
  H      -2.999275      0.836534      8.999039
  H      -5.650476      6.876823      8.581033
  H      -7.023212      5.757068      8.725299
  H      -7.855826      4.871874      6.643467
  H      -7.333486      3.652079      4.513083
  H      -3.626012      5.687870      7.066056
  H      -7.228965      3.423656      8.702251
  H      -2.511162     -3.192971      8.576851
  H      -4.215080     -2.708303      8.338446
  H      -3.817333     -4.420241      8.537429
  H      -1.553883     -2.733734      6.677310
  H       0.127562     -2.413274      5.188718
  H       0.878296     -2.232105      2.817031
  H      -2.497978     -2.531682     -0.509419
  H      -4.232002     -2.965134     -0.658485
  H      -5.979057     -1.596446      0.567548
  H      -6.506946      0.558681      1.735799
  H      -1.813916     -0.436823      0.571998
  H      -3.776382     -3.656703      3.829382
  H      -6.361794     -7.269831     13.767877
  H      -6.749832     -5.545389     13.467619
  H      -8.052050     -6.743609     13.696772
  H      -7.041811     -4.931047     11.397803
  H      -7.347968     -7.935909      9.215067
  H      -7.506544     -7.699926      6.725943
  H      -8.135518     -3.145899      5.146473
  H      -6.404171     -3.406343      5.067697
  H      -9.050862     -0.973546      4.552512
  H      -8.570213      1.343122      3.744652
  H      -4.864542     -1.357817      5.471773
  H      -7.038130     -3.642600      9.525535
  N      -4.622103      4.046350      1.953643
  H      -5.238245      4.821719      2.197355
  H      -4.763323      3.767095      0.982314
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958339549803
  N      -3.116542      4.289724      4.648413
  Mo     -3.864976      2.830318      3.292235
  N      -4.289674      1.196622      4.642288
  C      -3.203097      0.478171      5.291234
  C      -2.057360      1.415101      5.622058
  N      -1.614416      2.135758      4.424144
  C      -0.899237      3.386458      4.719640
  C      -1.848188      4.412740      5.324215
  C      -0.838368      1.300801      3.495166
  C      -1.057389      1.825614      2.075542
  N      -2.478521      1.985561      1.896722
  H      -1.405088      5.419745      5.213857
  H      -1.965118      4.241519      6.411527
  H      -0.510470      3.769332      3.766364
  H      -0.034665      3.206115      5.386735
  H      -0.608842      1.135100      1.342934
  H      -0.560883      2.798717      1.935825
  H      -1.222261      0.273377      3.547769
  H       0.231988      1.279860      3.777756
  H      -3.545064      0.034804      6.243225
  H      -2.847516     -0.367648      4.668928
  H      -2.408064      2.154448      6.354414
  H      -1.220925      0.852489      6.084829
  C      -9.802934      0.261822      7.538420
  C      -8.773566      1.294138      7.950361
  O      -9.092452      2.466949      8.164786
  N      -7.496118      0.805865      8.071645
  C      -6.339363      1.487956      8.471150
  C      -5.144071      0.749737      8.548573
  C      -3.956079      1.365838      8.927506
  C      -3.955580      2.721586      9.233540
  F      -2.766931      3.305312      9.534235
  C      -5.122002      3.490914      9.160268
  C      -5.111020      4.970276      9.404513
  O      -4.435642      5.481105     10.285605
  C      -5.955110      5.821993      8.442689
  C      -5.759161      5.351107      7.023937
  C      -6.825435      4.831551      6.269572
  C      -6.545723      4.153334      5.086148
  N      -5.298392      4.002548      4.637333
  C      -4.260726      4.596508      5.297401
  C      -4.463619      5.279683      6.512016
  C      -6.312755      2.854111      8.778813
  C      -3.472382     -3.457179      8.111737
  C      -3.391931     -3.615526      6.608273
  O      -4.290304     -4.148815      5.958432
  N      -2.252624     -3.094485      6.037153
  C      -1.889174     -3.038433      4.679189
  C      -0.576756     -2.631204      4.382441
  C      -0.151867     -2.520959      3.063995
  C      -1.048273     -2.797349      2.039543
  F      -0.588734     -2.697068      0.761161
  C      -2.363465     -3.196614      2.290897
  C      -3.396916     -3.480799      1.230296
  O      -4.218201     -4.367965      1.406153
  C      -3.469812     -2.556320      0.014433
  C      -3.843017     -1.175894      0.505505
  C      -5.188699     -0.879279      0.797783
  C      -5.485029      0.317723      1.441321
  N      -4.538890      1.197281      1.786704
  C      -3.236912      0.963513      1.439729
  C      -2.859522     -0.235502      0.796936
  C      -2.767294     -3.332370      3.628831
  C      -7.025111     -6.568281     13.265278
  C      -7.077032     -6.923247     11.793031
  O      -7.126912     -8.088503     11.403616
  N      -7.086213     -5.833307     10.948101
  C      -7.175984     -5.798760      9.545859
  C      -7.296264     -6.952088      8.745943
  C      -7.383739     -6.820112      7.363803
  C      -7.349071     -5.562886      6.773600
  F      -7.445068     -5.510088      5.423502
  C      -7.220251     -4.391247      7.535486
  C      -7.127504     -2.995530      7.005950
  O      -7.001477     -2.066463      7.808406
  C      -7.174577     -2.755756      5.511777
  C      -6.971868     -1.327521      5.087900
  C      -8.041589     -0.563136      4.600460
  C      -7.761916      0.726456      4.149657
  N      -6.551859      1.285084      4.155620
  C      -5.502822      0.577391      4.659068
  C      -5.705532     -0.754254      5.127571
  C      -7.140457     -4.547514      8.928370
  H     -10.258308      0.580607      6.591111
  H      -9.389522     -0.746160      7.415049
  H     -10.595824      0.243695      8.298896
  H      -7.354028     -0.182272      7.831495
  H      -5.156439     -0.311848      8.296859
  H      -3.020026      0.808450      8.975099
  H      -5.639006      6.863797      8.592080
  H      -7.016737      5.748918      8.728308
  H      -7.848602      4.874450      6.641970
  H      -7.326387      3.659126      4.509037
  H      -3.616957      5.677185      7.073693
  H      -7.238025      3.417287      8.709262
  H      -2.525558     -3.154769      8.577602
  H      -4.238556     -2.702128      8.343382
  H      -3.808307     -4.406711      8.547310
  H      -1.561018     -2.723788      6.682466
  H       0.118931     -2.402961      5.193049
  H       0.868554     -2.224773      2.820635
  H      -2.502626     -2.536023     -0.503966
  H      -4.237449     -2.966192     -0.653754
  H      -5.982503     -1.588647      0.564787
  H      -6.505476      0.569158      1.730116
  H      -1.813095     -0.443775      0.577850
  H      -3.784116     -3.654573      3.837186
  H      -6.324108     -7.247471     13.765339
  H      -6.731932     -5.528588     13.461843
  H      -8.020532     -6.739619     13.701466
  H      -7.036057     -4.922163     11.395076
  H      -7.319281     -7.931804      9.215336
  H      -7.478311     -7.699168      6.725872
  H      -8.135334     -3.145774      5.137754
  H      -6.403550     -3.404250      5.067371
  H      -9.052435     -0.969200      4.548158
  H      -8.568650      1.346856      3.740826
  H      -4.866915     -1.359508      5.468075
  H      -7.040298     -3.636201      9.522257
  N      -4.609552      4.050466      1.954798
  H      -5.222852      4.827890      2.199074
  H      -4.751055      3.773121      0.982979
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958356496700
  N      -3.116576      4.286076      4.652969
  Mo     -3.863962      2.827066      3.296346
  N      -4.290889      1.193443      4.645227
  C      -3.204819      0.473940      5.293843
  C      -2.059092      1.410357      5.626319
  N      -1.614956      2.131653      4.429087
  C      -0.899577      3.381965      4.726133
  C      -1.848820      4.408468      5.330065
  C      -0.838104      1.297318      3.500178
  C      -1.056032      1.823053      2.080577
  N      -2.477074      1.983140      1.901099
  H      -1.405167      5.415324      5.220356
  H      -1.966909      4.237073      6.417236
  H      -0.509358      3.765082      3.773549
  H      -0.035975      3.200872      5.394277
  H      -0.607101      1.132719      1.348052
  H      -0.559286      2.796164      1.941723
  H      -1.221820      0.269812      3.551714
  H       0.232032      1.276384      3.783636
  H      -3.547174      0.028907      6.244881
  H      -2.848839     -0.370901      4.670465
  H      -2.410322      2.149567      6.358561
  H      -1.223121      0.847549      6.089676
  C      -9.806746      0.268716      7.535530
  C      -8.776500      1.301054      7.945424
  O      -9.093522      2.475645      8.152751
  N      -7.500347      0.810978      8.072797
  C      -6.344033      1.492660      8.473747
  C      -5.149593      0.753546      8.555743
  C      -3.962079      1.369478      8.936467
  C      -3.961487      2.725920      9.239973
  F      -2.773314      3.309400      9.543341
  C      -5.127288      3.495834      9.162702
  C      -5.116404      4.975378      9.406081
  O      -4.443417      5.486234     10.289000
  C      -5.957722      5.826945      8.441644
  C      -5.760966      5.353517      7.023902
  C      -6.826801      4.833082      6.269595
  C      -6.546365      4.152229      5.087761
  N      -5.298615      3.999546      4.640642
  C      -4.261528      4.594612      5.300270
  C      -4.465063      5.280445      6.513226
  C      -6.317294      2.859357      8.778824
  C      -3.462261     -3.450683      8.105496
  C      -3.382085     -3.614210      6.602443
  O      -4.281921     -4.147055      5.954215
  N      -2.242543     -3.095799      6.029468
  C      -1.880406     -3.042842      4.671032
  C      -0.567007     -2.640219      4.372149
  C      -0.143678     -2.532269      3.053055
  C      -1.042510     -2.806211      2.030075
  F      -0.584653     -2.708039      0.750954
  C      -2.358617     -3.201050      2.283605
  C      -3.394792     -3.482163      1.224743
  O      -4.216938     -4.368356      1.401100
  C      -3.468801     -2.555779      0.010419
  C      -3.841809     -1.176028      0.504032
  C      -5.187295     -0.880122      0.797675
  C      -5.483520      0.315816      1.443265
  N      -4.537410      1.194902      1.789687
  C      -3.235662      0.961860      1.441997
  C      -2.858321     -0.235961      0.796718
  C      -2.760907     -3.334817      3.622124
  C      -7.009608     -6.566825     13.264776
  C      -7.068664     -6.921163     11.792622
  O      -7.112853     -8.086518     11.402841
  N      -7.087437     -5.831047     10.948210
  C      -7.179614     -5.796872      9.546144
  C      -7.298108     -6.950766      8.746787
  C      -7.388270     -6.819400      7.364808
  C      -7.357269     -5.562249      6.774216
  F      -7.456688     -5.510137      5.424292
  C      -7.229995     -4.390036      7.535488
  C      -7.140996     -2.994184      7.005496
  O      -7.023318     -2.064120      7.808062
  C      -7.182117     -2.755374      5.510896
  C      -6.977218     -1.327412      5.087149
  C      -8.045216     -0.561456      4.598533
  C      -7.763053      0.727740      4.148215
  N      -6.552276      1.284815      4.155946
  C      -5.504841      0.575485      4.660607
  C      -5.709926     -0.756112      5.128025
  C      -7.148295     -4.545698      8.928401
  H     -10.263677      0.587334      6.589067
  H      -9.394022     -0.739462      7.412337
  H     -10.598481      0.251217      8.297311
  H      -7.359477     -0.178435      7.837250
  H      -5.162176     -0.308515      8.306072
  H      -3.026303      0.811731      8.987703
  H      -5.640071      6.868452      8.589920
  H      -7.019770      5.756001      8.726254
  H      -7.850309      4.877276      6.640933
  H      -7.326797      3.657225      4.510975
  H      -3.618686      5.678567      7.074858
  H      -7.241997      3.423096      8.705934
  H      -2.513044     -3.155229      8.570991
  H      -4.222126     -2.688771      8.334855
  H      -3.805932     -4.396277      8.543525
  H      -1.549855     -2.724633      6.673361
  H       0.130581     -2.413830      5.181637
  H       0.877393     -2.239775      2.807954
  H      -2.501988     -2.534704     -0.508662
  H      -4.236913     -2.964526     -0.657960
  H      -5.981033     -1.589268      0.563796
  H      -6.503886      0.566801      1.732734
  H      -1.811994     -0.443525      0.576683
  H      -3.778248     -3.653701      3.831959
  H      -6.290443     -7.232957     13.756866
  H      -6.733534     -5.522124     13.459523
  H      -7.996757     -6.757659     13.711060
  H      -7.041306     -4.919769     11.395285
  H      -7.318019     -7.930380      9.216596
  H      -7.482155     -7.698794      6.727251
  H      -8.141392     -3.145497      5.133155
  H      -6.409377     -3.404488      5.070123
  H      -9.056640     -0.965953      4.545325
  H      -8.568365      1.349370      3.738472
  H      -4.872569     -1.363057      5.468409
  H      -7.049999     -3.634072      9.522132
  N      -4.608488      4.047277      1.958907
  H      -5.222016      4.824602      2.202808
  H      -4.749555      3.769893      0.987040
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958372871715
  N      -3.113543      4.283068      4.658940
  Mo     -3.859451      2.825422      3.301033
  N      -4.291343      1.192293      4.648691
  C      -3.206711      0.471710      5.298685
  C      -2.061204      1.407421      5.633860
  N      -1.613474      2.127706      4.437356
  C      -0.897353      3.377369      4.735329
  C      -1.846491      4.405193      5.337286
  C      -0.835446      1.292203      3.510515
  C      -1.051308      1.816257      2.089852
  N      -2.471826      1.978263      1.908974
  H      -1.401871      5.411573      5.226925
  H      -1.965883      4.235094      6.424531
  H      -0.504994      3.759665      3.783272
  H      -0.035131      3.195619      5.405077
  H      -0.602901      1.123847      1.358982
  H      -0.552664      2.788295      1.950032
  H      -1.219045      0.264630      3.562752
  H       0.234320      1.271703      3.795389
  H      -3.550721      0.025532      6.248551
  H      -2.849814     -0.372553      4.675044
  H      -2.413965      2.147392      6.364602
  H      -1.226798      0.844489      6.099876
  C      -9.818006      0.283741      7.523369
  C      -8.787106      1.314957      7.934594
  O      -9.102840      2.490328      8.139383
  N      -7.512193      0.822774      8.066805
  C      -6.356049      1.502515      8.471597
  C      -5.163363      0.761194      8.558436
  C      -3.976019      1.375218      8.942934
  C      -3.974029      2.731900      9.245623
  F      -2.785953      3.313463      9.553346
  C      -5.138087      3.503831      9.163869
  C      -5.125679      4.983402      9.407208
  O      -4.455915      5.492901     10.293308
  C      -5.960147      5.836451      8.438127
  C      -5.760977      5.359525      7.021992
  C      -6.825998      4.839263      6.266431
  C      -6.544214      4.154804      5.086914
  N      -5.295697      3.998597      4.643222
  C      -4.259265      4.593963      5.303643
  C      -4.463937      5.282939      6.514522
  C      -6.327762      2.869473      8.775681
  C      -3.466782     -3.457175      8.102519
  C      -3.386767     -3.622572      6.599490
  O      -4.286701     -4.155261      5.951238
  N      -2.246864     -3.104588      6.026562
  C      -1.884295     -3.052868      4.668070
  C      -0.568246     -2.658642      4.369286
  C      -0.144048     -2.553939      3.050187
  C      -1.044432     -2.822675      2.027212
  F      -0.585067     -2.730128      0.748262
  C      -2.363357     -3.208252      2.280632
  C      -3.401197     -3.483853      1.221985
  O      -4.229425     -4.364202      1.399576
  C      -3.472040     -2.555341      0.009127
  C      -3.841933     -1.175414      0.505009
  C      -5.187101     -0.876707      0.797378
  C      -5.481447      0.319126      1.444066
  N      -4.533687      1.195415      1.792860
  C      -3.231884      0.959530      1.447021
  C      -2.856400     -0.238297      0.800564
  C      -2.766697     -3.338756      3.619125
  C      -6.968256     -6.569340     13.259952
  C      -7.040344     -6.920997     11.787686
  O      -7.080492     -8.086202     11.396958
  N      -7.072014     -5.830254     10.944643
  C      -7.171051     -5.795494      9.543065
  C      -7.287812     -6.949542      8.743634
  C      -7.384107     -6.817821      7.362144
  C      -7.360198     -5.560186      6.772217
  F      -7.464760     -5.507768      5.422637
  C      -7.235150     -4.387818      7.533578
  C      -7.152581     -2.991626      7.003561
  O      -7.046960     -2.060140      7.806107
  C      -7.185966     -2.754389      5.508654
  C      -6.980395     -1.326509      5.085514
  C      -8.047502     -0.559135      4.597309
  C      -7.763673      0.729986      4.147772
  N      -6.552442      1.286190      4.156938
  C      -5.506003      0.575364      4.661937
  C      -5.712631     -0.756525      5.127510
  C      -7.147882     -4.543806      8.926101
  H     -10.261747      0.594289      6.568021
  H      -9.409228     -0.727768      7.416384
  H     -10.619093      0.278918      8.275448
  H      -7.373301     -0.167744      7.834565
  H      -5.177071     -0.300946      8.309179
  H      -3.041153      0.816259      8.998221
  H      -5.638740      6.876940      8.585547
  H      -7.023257      5.770356      8.719991
  H      -7.850285      4.886227      6.635277
  H      -7.324165      3.659539      4.509685
  H      -3.618093      5.680942      7.077008
  H      -7.251088      3.434882      8.699030
  H      -2.513219     -3.176580      8.568486
  H      -4.214165     -2.682950      8.331447
  H      -3.825333     -4.397127      8.540641
  H      -1.553173     -2.735448      6.670596
  H       0.130910     -2.437177      5.178764
  H       0.879154     -2.268992      2.805033
  H      -2.505052     -2.535952     -0.509533
  H      -4.240983     -2.960877     -0.660267
  H      -5.982152     -1.583668      0.561410
  H      -6.501627      0.572366      1.732247
  H      -1.810335     -0.447811      0.581289
  H      -3.785770     -3.651410      3.828873
  H      -6.203253     -7.198282     13.732384
  H      -6.742812     -5.512666     13.454934
  H      -7.932680     -6.816083     13.727216
  H      -7.029474     -4.919169     11.392294
  H      -7.301874     -7.929405      9.213207
  H      -7.476978     -7.697174      6.724384
  H      -8.143339     -3.145310      5.126626
  H      -6.410925     -3.403520      5.071930
  H      -9.059279     -0.962638      4.543220
  H      -8.568224      1.352825      3.738362
  H      -4.876218     -1.364868      5.467513
  H      -7.050477     -3.632309      9.520138
  N      -4.600552      4.046844      1.962807
  H      -5.211942      4.826225      2.205511
  H      -4.741914      3.769131      0.991075
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958387199466
  N      -3.109010      4.275806      4.668519
  Mo     -3.853593      2.820448      3.308254
  N      -4.290427      1.186646      4.653026
  C      -3.207048      0.463967      5.302795
  C      -2.061113      1.398067      5.641037
  N      -1.610467      2.119523      4.446274
  C      -0.893833      3.368234      4.747416
  C      -1.843067      4.396179      5.349023
  C      -0.831200      1.284789      3.519725
  C      -1.045347      1.810164      2.099149
  N      -2.465446      1.973640      1.917345
  H      -1.397269      5.402274      5.240530
  H      -1.964295      4.225073      6.435939
  H      -0.499178      3.751328      3.796614
  H      -0.033099      3.184802      5.418619
  H      -0.596939      1.118068      1.368001
  H      -0.545556      2.781899      1.961150
  H      -1.214305      0.257025      3.570915
  H       0.238252      1.264581      3.805727
  H      -3.552054      0.016030      6.251489
  H      -2.850166     -0.379209      4.677711
  H      -2.414389      2.137553      6.372038
  H      -1.228092      0.833865      6.107992
  C      -9.833200      0.295164      7.516050
  C      -8.800871      1.324820      7.927687
  O      -9.114124      2.501231      8.130402
  N      -7.527178      0.829922      8.062155
  C      -6.370189      1.507033      8.468527
  C      -5.178804      0.763516      8.554316
  C      -3.990513      1.374564      8.940415
  C      -3.986292      2.730768      9.245418
  F      -2.797280      3.310007      9.554262
  C      -5.148955      3.504848      9.164518
  C      -5.133855      4.984198      9.409812
  O      -4.467238      5.490459     10.300086
  C      -5.961474      5.840751      8.437803
  C      -5.760025      5.362135      7.022640
  C      -6.824165      4.842575      6.265350
  C      -6.540836      4.154699      5.088123
  N      -5.291395      3.994283      4.648584
  C      -4.255753      4.589668      5.310056
  C      -4.461792      5.282042      6.518662
  C      -6.339679      2.873394      8.775063
  C      -3.469170     -3.450696      8.089467
  C      -3.386716     -3.623636      6.587275
  O      -4.286950     -4.156619      5.939760
  N      -2.245716     -3.108579      6.013938
  C      -1.883488     -3.057647      4.655281
  C      -0.567117     -2.664653      4.356301
  C      -0.143295     -2.559293      3.037120
  C      -1.044429     -2.826301      2.014384
  F      -0.586156     -2.731975      0.735097
  C      -2.363498     -3.210897      2.268044
  C      -3.402436     -3.482575      1.209518
  O      -4.232588     -4.361349      1.385911
  C      -3.471987     -2.551084     -0.000855
  C      -3.839796     -1.172305      0.500175
  C      -5.184538     -0.872628      0.793132
  C      -5.477287      0.321332      1.444051
  N      -4.528236      1.194683      1.796421
  C      -3.226526      0.957821      1.450772
  C      -2.852579     -0.238249      0.800092
  C      -2.766652     -3.342000      3.606546
  C      -6.943803     -6.559841     13.265507
  C      -7.019717     -6.913407     11.793770
  O      -7.045297     -8.079297     11.403880
  N      -7.069491     -5.823845     10.950080
  C      -7.167799     -5.791509      9.548391
  C      -7.278825     -6.947283      8.750584
  C      -7.375930     -6.817852      7.368944
  C      -7.358614     -5.560832      6.777446
  F      -7.464658     -5.510705      5.427835
  C      -7.240239     -4.386765      7.537144
  C      -7.167045     -2.990693      7.005441
  O      -7.077425     -2.056821      7.807192
  C      -7.190157     -2.756319      5.510066
  C      -6.983377     -1.328774      5.086476
  C      -8.049061     -0.559975      4.597629
  C      -7.763005      0.728923      4.148712
  N      -6.551100      1.283669      4.158857
  C      -5.505946      0.571163      4.664715
  C      -5.714809     -0.760491      5.129588
  C      -7.151790     -4.540511      8.929851
  H     -10.279492      0.608951      6.562913
  H      -9.424629     -0.716081      7.405116
  H     -10.632230      0.287713      8.270292
  H      -7.390563     -0.161252      7.831544
  H      -5.194522     -0.298055      8.302829
  H      -3.056584      0.813925      8.995106
  H      -5.635810      6.879798      8.586025
  H      -7.025636      5.779425      8.716893
  H      -7.849292      4.892292      6.631482
  H      -7.320209      3.659513      4.510019
  H      -3.616508      5.679530      7.082345
  H      -7.261878      3.440724      8.698978
  H      -2.513800     -3.177496      8.556168
  H      -4.208221     -2.666722      8.312518
  H      -3.838984     -4.384480      8.531164
  H      -1.552445     -2.737859      6.657529
  H       0.132511     -2.444245      5.165646
  H       0.880020     -2.274971      2.791767
  H      -2.505228     -2.530964     -0.519859
  H      -4.241803     -2.953332     -0.671228
  H      -5.980517     -1.577534      0.554171
  H      -6.497164      0.575464      1.732488
  H      -1.806788     -0.448581      0.580172
  H      -3.786150     -3.653159      3.816165
  H      -6.142200     -7.151920     13.725344
  H      -6.764725     -5.494016     13.458535
  H      -7.887638     -6.853071     13.747006
  H      -7.036525     -4.911959     11.396850
  H      -7.287725     -7.926567      9.221481
  H      -7.464763     -7.698391      6.732260
  H      -8.145465     -3.148087      5.123312
  H      -6.412628     -3.405707      5.078530
  H      -9.061393     -0.961906      4.542522
  H      -8.566409      1.352755      3.738536
  H      -4.879789     -1.370723      5.469741
  H      -7.059873     -3.627874      9.522988
  N      -4.591238      4.044940      1.970679
  H      -5.201866      4.824913      2.213395
  H      -4.731684      3.768687      0.998412
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958397175308
  N      -3.103369      4.268729      4.679244
  Mo     -3.847248      2.816364      3.316067
  N      -4.288611      1.181476      4.657611
  C      -3.206692      0.456939      5.307866
  C      -2.060005      1.389258      5.648463
  N      -1.606674      2.111653      4.455307
  C      -0.889299      3.359331      4.759228
  C      -1.838273      4.387225      5.361352
  C      -0.826916      1.277217      3.528801
  C      -1.039530      1.803945      2.108406
  N      -2.459148      1.969765      1.925940
  H      -1.391414      5.393090      5.254909
  H      -1.960751      4.214698      6.447936
  H      -0.493129      3.743357      3.809411
  H      -0.029490      3.174149      5.431140
  H      -0.591701      1.112101      1.376687
  H      -0.538080      2.775120      1.972231
  H      -1.210179      0.249487      3.579297
  H       0.242306      1.256783      3.815531
  H      -3.553048      0.008602      6.255918
  H      -2.850223     -0.386049      4.682319
  H      -2.413296      2.128288      6.379921
  H      -1.228425      0.823379      6.115989
  C      -9.856863      0.315139      7.496962
  C      -8.820776      1.339332      7.912579
  O      -9.127771      2.517869      8.112417
  N      -7.550540      0.837196      8.053183
  C      -6.391443      1.508257      8.463637
  C      -5.203429      0.759437      8.550012
  C      -4.013194      1.364180      8.939865
  C      -4.003659      2.719649      9.247974
  F      -2.812847      3.293232      9.560601
  C      -5.162732      3.498892      9.166689
  C      -5.141655      4.977808      9.415180
  O      -4.476445      5.478958     10.309327
  C      -5.960962      5.840351      8.441222
  C      -5.757471      5.362115      7.026283
  C      -6.820916      4.844468      6.266694
  C      -6.536254      4.154564      5.090960
  N      -5.286006      3.990521      4.655062
  C      -4.250891      4.585003      5.318152
  C      -4.458165      5.279260      6.525414
  C      -6.355569      2.873700      8.773632
  C      -3.472202     -3.444562      8.074711
  C      -3.388580     -3.622791      6.573189
  O      -4.289068     -4.156447      5.926650
  N      -2.244727     -3.114391      5.999511
  C      -1.883396     -3.064290      4.640550
  C      -0.566195     -2.674860      4.340705
  C      -0.143049     -2.570032      3.021209
  C      -1.045929     -2.833775      1.999211
  F      -0.588695     -2.739817      0.719455
  C      -2.365978     -3.214242      2.253812
  C      -3.407074     -3.479923      1.195963
  O      -4.239657     -4.356678      1.370592
  C      -3.474669     -2.544826     -0.011674
  C      -3.839559     -1.167057      0.494653
  C      -5.183790     -0.865557      0.787943
  C      -5.474243      0.326387      1.443645
  N      -4.523320      1.196075      1.800004
  C      -3.221765      0.957544      1.454373
  C      -2.850188     -0.236760      0.799200
  C      -2.768328     -3.345513      3.592508
  C      -6.919630     -6.544527     13.274829
  C      -6.994052     -6.901166     11.803716
  O      -7.000657     -8.067829     11.415392
  N      -7.062476     -5.813730     10.958501
  C      -7.157727     -5.784946      9.556515
  C      -7.259993     -6.942998      8.760809
  C      -7.356501     -6.816861      7.378788
  C      -7.347597     -5.560842      6.784992
  F      -7.453620     -5.513843      5.435294
  C      -7.238853     -4.384515      7.542600
  C      -7.177083     -2.988875      7.008384
  O      -7.103063     -2.052356      7.808632
  C      -7.192074     -2.758081      5.512517
  C      -6.984713     -1.330961      5.088024
  C      -8.049258     -0.561077      4.598664
  C      -7.761398      0.727666      4.150168
  N      -6.548973      1.281205      4.161238
  C      -5.504837      0.567320      4.667807
  C      -5.715506     -0.764098      5.132026
  C      -7.150322     -4.535018      8.935603
  H     -10.296567      0.630358      6.541195
  H      -9.452766     -0.698323      7.388923
  H     -10.659573      0.312267      8.247269
  H      -7.418618     -0.154981      7.824373
  H      -5.223570     -0.301350      8.295612
  H      -3.082059      0.798982      8.995022
  H      -5.629817      6.877325      8.591774
  H      -7.026281      5.784738      8.717105
  H      -7.846765      4.896402      6.630464
  H      -7.315155      3.659963      4.511687
  H      -3.613316      5.675431      7.090688
  H      -7.275077      3.445376      8.697245
  H      -2.515317     -3.177767      8.542050
  H      -4.203391     -2.651543      8.292512
  H      -3.852683     -4.372553      8.519222
  H      -1.550831     -2.744075      6.642636
  H       0.134655     -2.456601      5.149569
  H       0.880845     -2.288432      2.775216
  H      -2.508223     -2.524444     -0.531133
  H      -4.245853     -2.942897     -0.682928
  H      -5.981147     -1.567821      0.545811
  H      -6.493636      0.581692      1.732777
  H      -1.804772     -0.448624      0.578851
  H      -3.788882     -3.653168      3.802588
  H      -6.080185     -7.091406     13.723590
  H      -6.796969     -5.470723     13.467394
  H      -7.838960     -6.891213     13.767545
  H      -7.040815     -4.900762     11.403722
  H      -7.262450     -7.921450      9.233471
  H      -7.438877     -7.699122      6.743623
  H      -8.146036     -3.150758      5.122880
  H      -6.412698     -3.407414      5.084942
  H      -9.062016     -0.961745      4.542438
  H      -8.563928      1.352356      3.739553
  H      -4.881712     -1.375758      5.472807
  H      -7.066271     -3.620639      9.527193
  N      -4.580081      4.045538      1.979814
  H      -5.189399      4.826325      2.223221
  H      -4.719627      3.771718      1.006743
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958403356624
  N      -3.099661      4.264208      4.685291
  Mo     -3.843442      2.813205      3.320886
  N      -4.289215      1.178829      4.661383
  C      -3.209501      0.453062      5.314035
  C      -2.061804      1.383696      5.655676
  N      -1.605997      2.105340      4.463007
  C      -0.887145      3.351979      4.767889
  C      -1.835428      4.381032      5.369146
  C      -0.826367      1.269535      3.537476
  C      -1.035930      1.796884      2.116851
  N      -2.454977      1.965474      1.932321
  H      -1.387096      5.386346      5.263661
  H      -1.959556      4.208343      6.455538
  H      -0.489483      3.735590      3.818531
  H      -0.028271      3.165440      5.440609
  H      -0.588352      1.104480      1.385529
  H      -0.532345      2.767130      1.981817
  H      -1.211601      0.242491      3.587465
  H       0.242396      1.247266      3.825750
  H      -3.558229      0.006354      6.262076
  H      -2.853541     -0.391206      4.689966
  H      -2.414774      2.123206      6.386805
  H      -1.231685      0.816372      6.124062
  C      -9.868084      0.326533      7.487265
  C      -8.830585      1.347965      7.905971
  O      -9.135518      2.526948      8.106709
  N      -7.561864      0.842645      8.048806
  C      -6.401330      1.510801      8.460200
  C      -5.214633      0.759623      8.543986
  C      -4.022942      1.361057      8.934456
  C      -4.010461      2.715807      9.245400
  F      -2.818203      3.286551      9.557592
  C      -5.168018      3.497520      9.166437
  C      -5.143657      4.976200      9.416202
  O      -4.478511      5.475322     10.311430
  C      -5.960333      5.841318      8.442139
  C      -5.755852      5.363456      7.027248
  C      -6.818917      4.847266      6.266090
  C      -6.533392      4.156191      5.091280
  N      -5.282683      3.989535      4.657733
  C      -4.247719      4.582788      5.322104
  C      -4.455864      5.278270      6.528533
  C      -6.362567      2.875432      8.773407
  C      -3.479380     -3.446128      8.066216
  C      -3.393769     -3.625702      6.565103
  O      -4.295235     -4.156121      5.917333
  N      -2.247934     -3.120006      5.992896
  C      -1.886258     -3.067830      4.634124
  C      -0.569166     -2.677605      4.335108
  C      -0.145629     -2.570793      3.015838
  C      -1.048087     -2.833727      1.993272
  F      -0.590641     -2.737636      0.713686
  C      -2.368033     -3.215176      2.247088
  C      -3.408469     -3.480086      1.188381
  O      -4.240950     -4.357187      1.361275
  C      -3.475857     -2.542600     -0.017460
  C      -3.839068     -1.165621      0.492059
  C      -5.183082     -0.862739      0.784940
  C      -5.472221      0.328094      1.443254
  N      -4.520191      1.195456      1.802543
  C      -3.218661      0.955514      1.457625
  C      -2.848559     -0.237735      0.799891
  C      -2.770796     -3.348044      3.585455
  C      -6.900470     -6.536816     13.277881
  C      -6.971963     -6.894032     11.806846
  O      -6.963565     -8.060715     11.418650
  N      -7.055234     -5.807691     10.961512
  C      -7.149578     -5.780664      9.559409
  C      -7.242237     -6.940000      8.764445
  C      -7.339534     -6.815700      7.382273
  C      -7.340533     -5.560115      6.787534
  F      -7.447447     -5.514645      5.437986
  C      -7.241049     -4.382481      7.544406
  C      -7.188470     -2.986947      7.008923
  O      -7.125555     -2.049126      7.808596
  C      -7.196942     -2.757897      5.512651
  C      -6.988456     -1.330867      5.088123
  C      -8.051612     -0.560009      4.597462
  C      -7.762046      0.728716      4.149729
  N      -6.549154      1.281113      4.162338
  C      -5.506195      0.566049      4.669908
  C      -5.718766     -0.765095      5.133911
  C      -7.151998     -4.531147      8.937543
  H     -10.303208      0.642480      6.529522
  H      -9.466464     -0.688149      7.380897
  H     -10.673647      0.326544      8.234456
  H      -7.431823     -0.149687      7.819591
  H      -5.237166     -0.300551      8.287216
  H      -3.093175      0.793470      8.987337
  H      -5.626871      6.877394      8.593721
  H      -7.026091      5.788009      8.716808
  H      -7.845236      4.900751      6.628251
  H      -7.312119      3.662365      4.511083
  H      -3.611218      5.672974      7.095159
  H      -7.280939      3.449099      8.698764
  H      -2.522814     -3.181128      8.535205
  H      -4.208399     -2.650174      8.281170
  H      -3.864087     -4.372203      8.511037
  H      -1.554298     -2.750601      6.636825
  H       0.131251     -2.459826      5.144491
  H       0.878169     -2.288200      2.770622
  H      -2.509641     -2.522093     -0.537328
  H      -4.247957     -2.938293     -0.689050
  H      -5.981374     -1.563099      0.540377
  H      -6.491443      0.584294      1.732161
  H      -1.803257     -0.450790      0.580034
  H      -3.791408     -3.656265      3.794824
  H      -6.039280     -7.054267     13.720608
  H      -6.814916     -5.459805     13.472352
  H      -7.803608     -6.917770     13.775066
  H      -7.043286     -4.894354     11.406341
  H      -7.236663     -7.918158      9.237689
  H      -7.414892     -7.699076      6.747798
  H      -8.149559     -3.151156      5.120165
  H      -6.415606     -3.406782      5.088311
  H      -9.064702     -0.959624      4.539885
  H      -8.563573      1.354300      3.738509
  H      -4.885964     -1.377526      5.475770
  H      -7.075425     -3.615570      9.528277
  N      -4.571695      4.044881      1.984189
  H      -5.180073      4.826485      2.227343
  H      -4.709972      3.772243      1.010607
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958406637413
  N      -3.096590      4.259872      4.690730
  Mo     -3.840363      2.810211      3.324893
  N      -4.290120      1.176021      4.663985
  C      -3.212748      0.448915      5.319060
  C      -2.064196      1.377982      5.662094
  N      -1.606079      2.099161      4.470032
  C      -0.885689      3.344691      4.775945
  C      -1.833225      4.374879      5.376435
  C      -0.826722      1.262137      3.545295
  C      -1.032663      1.790556      2.124599
  N      -2.451086      1.962070      1.937627
  H      -1.383369      5.379616      5.272001
  H      -1.959073      4.201907      6.462592
  H      -0.486659      3.728046      3.827065
  H      -0.027689      3.156708      5.449368
  H      -0.585227      1.097485      1.393832
  H      -0.526747      2.759762      1.990806
  H      -1.214481      0.236002      3.594140
  H       0.241489      1.237309      3.835405
  H      -3.564059      0.003503      6.266790
  H      -2.857004     -0.396459      4.696358
  H      -2.416953      2.117761      6.393020
  H      -1.235432      0.809236      6.131146
  C      -9.879892      0.338216      7.476269
  C      -8.840277      1.356621      7.896913
  O      -9.141737      2.537205      8.093542
  N      -7.574054      0.847023      8.045941
  C      -6.412478      1.512223      8.459411
  C      -5.227872      0.757977      8.545564
  C      -4.035465      1.356105      8.938924
  C      -4.020044      2.710768      9.249886
  F      -2.826959      3.278344      9.564648
  C      -5.175380      3.495528      9.168567
  C      -5.147663      4.974091      9.418365
  O      -4.482024      5.471856     10.313942
  C      -5.960896      5.841187      8.443085
  C      -5.754972      5.363030      7.028505
  C      -6.817568      4.848456      6.265574
  C      -6.531093      4.156909      5.091288
  N      -5.279956      3.988441      4.659714
  C      -4.245105      4.580211      5.325707
  C      -4.454306      5.275911      6.531872
  C      -6.370830      2.876607      8.773175
  C      -3.480681     -3.445975      8.058790
  C      -3.395414     -3.625884      6.557847
  O      -4.298693     -4.153574      5.910325
  N      -2.247734     -3.124192      5.985761
  C      -1.886231     -3.071050      4.626941
  C      -0.568906     -2.681406      4.328189
  C      -0.145063     -2.574218      3.009038
  C      -1.047532     -2.835989      1.986199
  F      -0.589899     -2.739312      0.706697
  C      -2.367786     -3.216564      2.239670
  C      -3.408166     -3.479772      1.180503
  O      -4.240604     -4.357175      1.351752
  C      -3.475536     -2.539986     -0.023661
  C      -3.837720     -1.163781      0.488389
  C      -5.181666     -0.859943      0.780854
  C      -5.469943      0.329681      1.441763
  N      -4.517146      1.195021      1.804113
  C      -3.215569      0.954278      1.459684
  C      -2.846516     -0.237671      0.799160
  C      -2.770794     -3.350051      3.577898
  C      -6.876626     -6.528524     13.280373
  C      -6.950789     -6.886513     11.809757
  O      -6.934997     -8.053270     11.421981
  N      -7.043981     -5.801090     10.964257
  C      -7.141716     -5.775590      9.562337
  C      -7.231454     -6.935916      8.768510
  C      -7.333243     -6.813280      7.386513
  C      -7.341219     -5.558262      6.790657
  F      -7.453567     -5.514217      5.441633
  C      -7.243894     -4.379617      7.546358
  C      -7.196065     -2.984417      7.009366
  O      -7.137907     -2.045633      7.808193
  C      -7.203214     -2.756909      5.512743
  C      -6.992930     -1.330344      5.087231
  C      -8.054477     -0.558416      4.594949
  C      -7.762885      0.729960      4.147274
  N      -6.549402      1.281001      4.161483
  C      -5.507921      0.564707      4.670367
  C      -5.722573     -0.766147      5.134019
  C      -7.150785     -4.526631      8.939373
  H     -10.314388      0.656872      6.519142
  H      -9.480752     -0.677259      7.368085
  H     -10.685535      0.339020      8.223428
  H      -7.446284     -0.145893      7.817946
  H      -5.252662     -0.302138      8.288793
  H      -3.107635      0.785562      8.993673
  H      -5.625173      6.876436      8.595312
  H      -7.027236      5.790477      8.715892
  H      -7.844383      4.903253      6.626099
  H      -7.309642      3.664269      4.509821
  H      -3.609964      5.669229      7.099941
  H      -7.287547      3.452672      8.696630
  H      -2.524333     -3.181302      8.528368
  H      -4.209507     -2.649580      8.273032
  H      -3.866482     -4.371573      8.503787
  H      -1.553386     -2.756328      6.629805
  H       0.131501     -2.464374      5.137796
  H       0.878950     -2.292046      2.764230
  H      -2.509334     -2.519382     -0.543595
  H      -4.248141     -2.933923     -0.695679
  H      -5.980647     -1.558695      0.533947
  H      -6.489128      0.586386      1.730427
  H      -1.801234     -0.451369      0.579726
  H      -3.791696     -3.657658      3.787027
  H      -6.005492     -7.032864     13.718858
  H      -6.806982     -5.450475     13.475426
  H      -7.771450     -6.923946     13.781350
  H      -7.036078     -4.887424     11.408546
  H      -7.220125     -7.913700      9.242421
  H      -7.406888     -7.697581      6.753115
  H      -8.156099     -3.149657      5.120389
  H      -6.422005     -3.406381      5.089230
  H      -9.068028     -0.956739      4.536493
  H      -8.563199      1.356450      3.735094
  H      -4.890762     -1.379335      5.476822
  H      -7.075937     -3.610048      9.528737
  N      -4.563873      4.044497      1.987774
  H      -5.171667      4.826639      2.230710
  H      -4.700625      3.773196      1.013599
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958409979552
  N      -3.094521      4.257159      4.694313
  Mo     -3.838241      2.807535      3.328155
  N      -4.291724      1.174579      4.667332
  C      -3.217087      0.447044      5.326429
  C      -2.067702      1.374984      5.669800
  N      -1.607361      2.094285      4.477425
  C      -0.885278      3.338979      4.782844
  C      -1.831917      4.371014      5.381601
  C      -0.828469      1.254877      3.554427
  C      -1.030132      1.783036      2.133097
  N      -2.447831      1.957724      1.943090
  H      -1.380518      5.375030      5.277013
  H      -1.959334      4.198966      6.467721
  H      -0.485101      3.721070      3.833945
  H      -0.028016      3.150263      5.456989
  H      -0.582878      1.088242      1.403868
  H      -0.521499      2.750845      1.999518
  H      -1.219293      0.229919      3.602862
  H       0.239099      1.227165      3.846707
  H      -3.571492      0.004466      6.274356
  H      -2.861381     -0.400470      4.706613
  H      -2.420218      2.115902      6.399641
  H      -1.240217      0.805448      6.140141
  C      -9.887944      0.346494      7.470139
  C      -8.846834      1.363334      7.890884
  O      -9.146132      2.544976      8.084443
  N      -7.582585      0.850795      8.045745
  C      -6.420553      1.514270      8.460702
  C      -5.237582      0.757845      8.550111
  C      -4.044827      1.354132      8.945318
  C      -4.027432      2.709080      9.254867
  F      -2.833899      3.274616      9.571520
  C      -5.181180      3.495966      9.170503
  C      -5.151077      4.974675      9.418708
  O      -4.485069      5.472542     10.314000
  C      -5.962725      5.842095      8.442307
  C      -5.755235      5.363420      7.028103
  C      -6.817259      4.849800      6.263726
  C      -6.529709      4.157940      5.089909
  N      -5.278188      3.988501      4.659937
  C      -4.243473      4.579176      5.327392
  C      -4.453952      5.274986      6.533309
  C      -6.376989      2.878837      8.773323
  C      -3.478855     -3.444705      8.052136
  C      -3.394936     -3.624178      6.551105
  O      -4.300909     -4.147781      5.903981
  N      -2.244968     -3.128415      5.978687
  C      -1.884207     -3.075626      4.619749
  C      -0.566276     -2.688530      4.320219
  C      -0.142954     -2.582176      3.000875
  C      -1.046503     -2.842053      1.978503
  F      -0.589527     -2.746170      0.698744
  C      -2.367324     -3.220055      2.232734
  C      -3.408565     -3.481167      1.173904
  O      -4.240848     -4.358935      1.344021
  C      -3.476637     -2.538865     -0.028392
  C      -3.837428     -1.163312      0.486165
  C      -5.181248     -0.858035      0.777927
  C      -5.468494      0.330697      1.440855
  N      -4.514881      1.193884      1.806103
  C      -3.213249      0.951980      1.462439
  C      -2.845337     -0.239049      0.799703
  C      -2.769885     -3.352860      3.571120
  C      -6.859236     -6.524419     13.280560
  C      -6.933818     -6.881914     11.809944
  O      -6.912475     -8.048519     11.421896
  N      -7.034027     -5.796760     10.964960
  C      -7.134068     -5.771611      9.563175
  C      -7.218762     -6.932254      8.769275
  C      -7.323939     -6.810135      7.387492
  C      -7.339923     -5.555171      6.791696
  F      -7.456407     -5.511373      5.443090
  C      -7.246741     -4.376159      7.547453
  C      -7.204724     -2.980838      7.010040
  O      -7.151213     -2.041568      7.808565
  C      -7.210848     -2.754063      5.513171
  C      -6.998614     -1.327907      5.087161
  C      -8.058129     -0.555047      4.592065
  C      -7.764055      0.732609      4.143864
  N      -6.549920      1.282163      4.160195
  C      -5.510420      0.564919      4.671670
  C      -5.727652     -0.765280      5.135912
  C      -7.150522     -4.522668      8.940341
  H     -10.321906      0.665819      6.513013
  H      -9.490724     -0.669715      7.362017
  H     -10.693688      0.348998      8.217241
  H      -7.456107     -0.142558      7.818891
  H      -5.263745     -0.302567      8.294575
  H      -3.118481      0.781419      9.002318
  H      -5.626293      6.877103      8.594595
  H      -7.029496      5.792422      8.713518
  H      -7.844517      4.905340      6.622860
  H      -7.307956      3.666062      4.507373
  H      -3.610047      5.667419      7.102660
  H      -7.292497      3.456504      8.694246
  H      -2.522151     -3.181794      8.521909
  H      -4.206561     -2.647295      8.266616
  H      -3.866269     -4.369661      8.497159
  H      -1.548968     -2.763155      6.622420
  H       0.134995     -2.472964      5.129478
  H       0.881499     -2.301979      2.755607
  H      -2.510711     -2.518342     -0.548928
  H      -4.250033     -2.931106     -0.700476
  H      -5.981075     -1.554987      0.528690
  H      -6.487644      0.588322      1.728861
  H      -1.800121     -0.453534      0.580716
  H      -3.791305     -3.658340      3.780982
  H      -5.979600     -7.016546     13.715972
  H      -6.805343     -5.445839     13.477604
  H      -7.746659     -6.934190     13.783285
  H      -7.030292     -4.883173     11.409459
  H      -7.200992     -7.910073      9.242930
  H      -7.394193     -7.694883      6.754323
  H      -8.163828     -3.146327      5.120652
  H      -6.429587     -3.403911      5.090305
  H      -9.072055     -0.952187      4.532035
  H      -8.562721      1.359760      3.729530
  H      -4.896926     -1.379080      5.480225
  H      -7.079114     -3.605520      9.529295
  N      -4.556282      4.043538      1.989409
  H      -5.163213      4.826618      2.231476
  H      -4.691466      3.772903      1.014814
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958411379898
  N      -3.093149      4.255771      4.696088
  Mo     -3.836512      2.805945      3.329711
  N      -4.292248      1.173605      4.668901
  C      -3.219280      0.445873      5.330475
  C      -2.069637      1.373336      5.674363
  N      -1.607913      2.091486      4.481807
  C      -0.884860      3.335712      4.786919
  C      -1.830997      4.369029      5.384333
  C      -0.829097      1.250660      3.560044
  C      -1.027908      1.778461      2.138206
  N      -2.445138      1.955064      1.946176
  H      -1.378645      5.372563      5.279301
  H      -1.959388      4.197901      6.470478
  H      -0.483813      3.716926      3.838043
  H      -0.028168      3.146632      5.461669
  H      -0.580717      1.082318      1.410233
  H      -0.517516      2.745329      2.004531
  H      -1.221700      0.226362      3.608104
  H       0.238029      1.221192      3.853862
  H      -3.575599      0.004638      6.278310
  H      -2.863264     -0.402657      4.712223
  H      -2.422264      2.114949      6.403424
  H      -1.242832      0.803622      6.145673
  C      -9.891436      0.350091      7.467197
  C      -8.850489      1.366337      7.889896
  O      -9.149327      2.548403      8.081654
  N      -7.586861      0.853041      8.047237
  C      -6.424884      1.516090      8.462915
  C      -5.242604      0.758884      8.554754
  C      -4.049883      1.354894      8.950602
  C      -4.031883      2.710193      9.258600
  F      -2.838300      3.275146      9.576089
  C      -5.185040      3.497790      9.172019
  C      -5.154177      4.976651      9.418646
  O      -4.487465      5.475233     10.313080
  C      -5.964727      5.843390      8.440816
  C      -5.755771      5.363385      7.027240
  C      -6.817229      4.849988      6.261966
  C      -6.528758      4.158028      5.088426
  N      -5.276933      3.988444      4.659440
  C      -4.242492      4.578504      5.328007
  C      -4.454005      5.274094      6.533889
  C      -6.380701      2.881008      8.773915
  C      -3.479441     -3.444966      8.048585
  C      -3.396162     -3.624669      6.547481
  O      -4.303478     -4.146205      5.900563
  N      -2.245656     -3.130536      5.974887
  C      -1.884894     -3.077687      4.615992
  C      -0.566653     -2.691316      4.316743
  C      -0.143000     -2.585135      2.997530
  C      -1.046483     -2.844415      1.974961
  F      -0.589333     -2.748755      0.695256
  C      -2.367564     -3.221602      2.228899
  C      -3.408665     -3.481589      1.169713
  O      -4.240520     -4.360031      1.338478
  C      -3.476458     -2.538050     -0.031653
  C      -3.836522     -1.162876      0.484249
  C      -5.180251     -0.856793      0.775578
  C      -5.466909      0.331351      1.439803
  N      -4.512815      1.193141      1.806945
  C      -3.211175      0.950587      1.463813
  C      -2.843864     -0.239808      0.799610
  C      -2.770599     -3.354254      3.567151
  C      -6.845365     -6.522639     13.279912
  C      -6.924601     -6.880042     11.809532
  O      -6.904744     -8.046745     11.421639
  N      -7.026144     -5.794976     10.964702
  C      -7.129779     -5.769943      9.563167
  C      -7.214989     -6.930680      8.769473
  C      -7.323897     -6.808728      7.387979
  C      -7.342786     -5.553801      6.792187
  F      -7.463339     -5.510136      5.443939
  C      -7.248707     -4.374708      7.547716
  C      -7.208552     -2.979348      7.010182
  O      -7.157050     -2.039926      7.808664
  C      -7.214555     -2.752727      5.513287
  C      -7.001336     -1.326791      5.087006
  C      -8.059880     -0.553270      4.590817
  C      -7.764335      0.733705      4.141648
  N      -6.549766      1.282390      4.158695
  C      -5.511406      0.564764      4.671810
  C      -5.730036     -0.765084      5.136431
  C      -7.149059     -4.521046      8.940376
  H     -10.322069      0.668615      6.508319
  H      -9.495185     -0.666763      7.361759
  H     -10.699526      0.354725      8.211742
  H      -7.460705     -0.140429      7.820617
  H      -5.268998     -0.301838      8.300529
  H      -3.124031      0.781541      9.009342
  H      -5.628221      6.878456      8.592557
  H      -7.031833      5.794178      8.710731
  H      -7.844852      4.906051      6.619971
  H      -7.306662      3.666665      4.505006
  H      -3.610564      5.666367      7.104040
  H      -7.295741      3.459164      8.693016
  H      -2.522865     -3.180353      8.517655
  H      -4.208639     -2.649100      8.263604
  H      -3.864482     -4.370628      8.494242
  H      -1.549142     -2.766187      6.618587
  H       0.134605     -2.476321      5.126163
  H       0.881693     -2.305589      2.752518
  H      -2.510437     -2.517645     -0.552079
  H      -4.249924     -2.929484     -0.704139
  H      -5.980539     -1.552730      0.524991
  H      -6.486048      0.589528      1.727384
  H      -1.798718     -0.454620      0.580673
  H      -3.792229     -3.659037      3.776914
  H      -5.961261     -7.010204     13.711443
  H      -6.796466     -5.443920     13.477441
  H      -7.728286     -6.937528     13.786273
  H      -7.021863     -4.881389     11.409171
  H      -7.194951     -7.908476      9.243102
  H      -7.394885     -7.693629      6.755110
  H      -8.167801     -3.144468      5.120848
  H      -6.433628     -3.402999      5.090456
  H      -9.074080     -0.949666      4.530359
  H      -8.562107      1.361136      3.726033
  H      -4.899827     -1.379259      5.481261
  H      -7.077051     -3.603734      9.528979
  N      -4.551334      4.042646      1.989780
  H      -5.157602      4.826450      2.231146
  H      -4.685744      3.772193      1.015034
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958413342162
  N      -3.091400      4.254803      4.697449
  Mo     -3.834229      2.804007      3.331465
  N      -4.292581      1.172850      4.671232
  C      -3.221416      0.445054      5.335548
  C      -2.071615      1.372183      5.679852
  N      -1.608320      2.088707      4.486878
  C      -0.884239      3.332521      4.791392
  C      -1.829820      4.367562      5.386803
  C      -0.829357      1.246135      3.566863
  C      -1.024956      1.772925      2.144204
  N      -2.441617      1.951600      1.949932
  H      -1.376280      5.370457      5.280828
  H      -1.959391      4.197991      6.473051
  H      -0.481974      3.712405      3.842509
  H      -0.028357      3.143233      5.467092
  H      -0.577893      1.074790      1.418065
  H      -0.512537      2.738631      2.009947
  H      -1.223642      0.222464      3.614784
  H       0.237247      1.215023      3.862494
  H      -3.579677      0.005162      6.283278
  H      -2.864938     -0.404468      4.718947
  H      -2.424495      2.114868      6.407688
  H      -1.245496      0.802666      6.152586
  C      -9.896437      0.351296      7.470011
  C      -8.855154      1.367982      7.890993
  O      -9.153969      2.550116      8.082258
  N      -7.591506      0.854727      8.048385
  C      -6.429439      1.517749      8.463762
  C      -5.247550      0.760134      8.557037
  C      -4.054805      1.356221      8.952836
  C      -4.036458      2.711791      9.259574
  F      -2.842782      3.276462      9.577211
  C      -5.189279      3.499784      9.171547
  C      -5.157677      4.978782      9.416871
  O      -4.491314      5.477592     10.311503
  C      -5.967245      5.845123      8.438019
  C      -5.756496      5.364429      7.024908
  C      -6.817185      4.850980      6.258666
  C      -6.527496      4.158635      5.085638
  N      -5.275242      3.988745      4.658138
  C      -4.241263      4.578628      5.327757
  C      -4.454143      5.274578      6.533191
  C      -6.384840      2.883040      8.773180
  C      -3.479000     -3.444758      8.044602
  C      -3.396507     -3.623928      6.543288
  O      -4.304313     -4.144965      5.896589
  N      -2.245801     -3.130754      5.970556
  C      -1.884929     -3.078420      4.611693
  C      -0.566186     -2.693388      4.312655
  C      -0.142071     -2.588231      2.993554
  C      -1.045548     -2.847148      1.970889
  F      -0.588162     -2.752832      0.691211
  C      -2.367074     -3.222741      2.224639
  C      -3.407991     -3.482051      1.165135
  O      -4.240097     -4.360355      1.333539
  C      -3.476062     -2.537260     -0.035170
  C      -3.835333     -1.162519      0.482261
  C      -5.178880     -0.855619      0.773443
  C      -5.464758      0.331850      1.439228
  N      -4.509973      1.191876      1.808489
  C      -3.208410      0.948682      1.465600
  C      -2.841906     -0.240811      0.799342
  C      -2.770792     -3.354381      3.562812
  C      -6.832040     -6.522241     13.278816
  C      -6.917751     -6.879385     11.808700
  O      -6.902214     -8.046184     11.420849
  N      -7.018589     -5.794113     10.964159
  C      -7.126268     -5.768710      9.562931
  C      -7.213153     -6.929316      8.769204
  C      -7.325793     -6.807046      7.388058
  C      -7.346512     -5.551959      6.792649
  F      -7.470798     -5.508047      5.444682
  C      -7.250800     -4.373037      7.548172
  C      -7.212724     -2.977503      7.010939
  O      -7.162033     -2.038138      7.809531
  C      -7.218671     -2.750719      5.514144
  C      -7.004217     -1.325035      5.087795
  C      -8.061612     -0.550829      4.590112
  C      -7.764353      0.735308      4.139827
  N      -6.549268      1.282961      4.157547
  C      -5.512260      0.564947      4.672799
  C      -5.732521     -0.764390      5.138124
  C      -7.147520     -4.519672      8.940562
  H     -10.331056      0.671270      6.513471
  H      -9.499593     -0.664962      7.361569
  H     -10.701828      0.353615      8.217550
  H      -7.465659     -0.138757      7.821679
  H      -5.273968     -0.300870      8.303964
  H      -3.129064      0.782804      9.012671
  H      -5.631116      6.880301      8.589817
  H      -7.034715      5.795757      8.706438
  H      -7.845228      4.907362      6.615421
  H      -7.304822      3.667411      4.501343
  H      -3.611354      5.667048      7.104177
  H      -7.299647      3.461422      8.691169
  H      -2.522185     -3.179809      8.513035
  H      -4.208977     -2.650068      8.260896
  H      -3.862255     -4.371210      8.490268
  H      -1.548987     -2.766784      6.614168
  H       0.135132     -2.478996      5.122178
  H       0.883017     -2.310010      2.748669
  H      -2.510155     -2.516768     -0.555835
  H      -4.249660     -2.928069     -0.707872
  H      -5.979684     -1.550471      0.521507
  H      -6.483797      0.590701      1.726529
  H      -1.796932     -0.455833      0.579863
  H      -3.792745     -3.657986      3.772698
  H      -5.943358     -7.006148     13.705212
  H      -6.786279     -5.443380     13.476389
  H      -7.710114     -6.940914     13.790287
  H      -7.012487     -4.880625     11.408806
  H      -7.191735     -7.907194      9.242623
  H      -7.398266     -7.691850      6.755224
  H      -8.172318     -3.141581      5.121759
  H      -6.438468     -3.401779      5.091074
  H      -9.076137     -0.946337      4.529196
  H      -8.561036      1.362916      3.722399
  H      -4.902960     -1.379178      5.483454
  H      -7.074299     -3.602487      9.529222
  N      -4.545492      4.040844      1.989639
  H      -5.150985      4.825622      2.229783
  H      -4.678984      3.770184      1.014825
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958372031029
  N      -3.086129      4.252612      4.705201
  Mo     -3.827559      2.800937      3.338524
  N      -4.291014      1.170649      4.677665
  C      -3.223696      0.443221      5.348587
  C      -2.073801      1.369761      5.694036
  N      -1.607507      2.083436      4.500427
  C      -0.881309      3.326230      4.804411
  C      -1.825780      4.364021      5.396946
  C      -0.828441      1.237644      3.583486
  C      -1.016718      1.763674      2.159602
  N      -2.432048      1.947490      1.960270
  H      -1.370002      5.365800      5.290120
  H      -1.957645      4.196426      6.483228
  H      -0.477015      3.704259      3.855671
  H      -0.026794      3.136034      5.481548
  H      -0.570001      1.061925      1.436753
  H      -0.499563      2.726830      2.025245
  H      -1.226858      0.215527      3.630177
  H       0.236952      1.202343      3.883157
  H      -3.586544      0.006409      6.296017
  H      -2.865792     -0.408559      4.735980
  H      -2.427294      2.114240      6.419698
  H      -1.249029      0.800447      6.169331
  C      -9.891814      0.347362      7.444898
  C      -8.852596      1.364254      7.870670
  O      -9.152577      2.546271      8.060633
  N      -7.590000      0.850873      8.035640
  C      -6.430231      1.513711      8.457598
  C      -5.248909      0.756033      8.556977
  C      -4.058275      1.352262      8.959050
  C      -4.041547      2.707736      9.266150
  F      -2.849463      3.272141      9.590100
  C      -5.194036      3.495740      9.172657
  C      -5.163162      4.974514      9.418931
  O      -4.498392      5.472709     10.315181
  C      -5.971291      5.841494      8.439583
  C      -5.756767      5.362369      7.026427
  C      -6.815721      4.849799      6.257291
  C      -6.523230      4.158522      5.084342
  N      -5.270017      3.988865      4.659794
  C      -4.237125      4.577820      5.332369
  C      -4.453223      5.272885      6.537783
  C      -6.387359      2.878920      8.767793
  C      -3.536674     -3.438353      8.023997
  C      -3.444196     -3.617504      6.523165
  O      -4.350277     -4.133538      5.869904
  N      -2.286267     -3.131724      5.959181
  C      -1.914928     -3.080781      4.603108
  C      -0.592428     -2.700579      4.314174
  C      -0.157745     -2.597241      2.998413
  C      -1.054323     -2.853043      1.968902
  F      -0.587423     -2.760482      0.692608
  C      -2.379045     -3.223643      2.212604
  C      -3.412659     -3.478580      1.144980
  O      -4.246544     -4.356784      1.304908
  C      -3.473933     -2.527532     -0.050778
  C      -3.831092     -1.154569      0.472332
  C      -5.174344     -0.845789      0.762772
  C      -5.458319      0.338310      1.435360
  N      -4.501839      1.193136      1.812034
  C      -3.200379      0.949045      1.469394
  C      -2.835863     -0.237028      0.796076
  C      -2.793845     -3.353586      3.547561
  C      -6.789203     -6.506769     13.286813
  C      -6.883801     -6.866667     11.817944
  O      -6.869833     -8.034355     11.432600
  N      -6.988968     -5.783246     10.971716
  C      -7.103569     -5.760752      9.570964
  C      -7.187437     -6.923210      8.779587
  C      -7.307221     -6.803982      7.398797
  C      -7.337504     -5.550050      6.801360
  F      -7.469218     -5.509052      5.453965
  C      -7.244531     -4.369379      7.554416
  C      -7.215867     -2.974609      7.014517
  O      -7.172684     -2.033327      7.811239
  C      -7.220692     -2.751043      5.517264
  C      -7.005342     -1.326384      5.088098
  C      -8.060800     -0.552968      4.584921
  C      -7.761610      0.731729      4.131801
  N      -6.546530      1.279595      4.152649
  C      -5.511553      0.562383      4.674387
  C      -5.733662     -0.766107      5.141228
  C      -7.134322     -4.512939      8.946629
  H     -10.329684      0.672673      6.491744
  H      -9.492787     -0.667187      7.329464
  H     -10.695620      0.342623      8.194272
  H      -7.462859     -0.142082      7.807397
  H      -5.273509     -0.304986      8.303638
  H      -3.132770      0.778967      9.023404
  H      -5.636474      6.876780      8.593450
  H      -7.039471      5.790800      8.704805
  H      -7.844621      4.905734      6.611639
  H      -7.299191      3.668085      4.497583
  H      -3.611897      5.664976      7.111212
  H      -7.301838      3.457174      8.681105
  H      -2.582927     -3.174302      8.499172
  H      -4.268364     -2.644162      8.235859
  H      -3.922497     -4.365070      8.467136
  H      -1.592689     -2.770711      6.607944
  H       0.103400     -2.488722      5.129084
  H       0.870235     -2.322846      2.761409
  H      -2.505946     -2.507367     -0.567714
  H      -4.245833     -2.913435     -0.728245
  H      -5.976480     -1.537156      0.505561
  H      -6.477190      0.598266      1.722221
  H      -1.791175     -0.452500      0.575720
  H      -3.818571     -3.652840      3.750163
  H      -5.886291     -6.972423     13.703909
  H      -6.762516     -5.427106     13.483620
  H      -7.652780     -6.942722     13.808209
  H      -6.984289     -4.868969     11.414781
  H      -7.158525     -7.900111      9.254635
  H      -7.377929     -7.690384      6.767998
  H      -8.174243     -3.142520      5.125191
  H      -6.440329     -3.403006      5.095748
  H      -9.075292     -0.948295      4.522121
  H      -8.556596      1.358072      3.709292
  H      -4.904970     -1.380405      5.489465
  H      -7.063431     -3.594207      9.533174
  N      -4.530542      4.040284      1.994246
  H      -5.134616      4.826600      2.232938
  H      -4.661462      3.770930      1.018706
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958403354956
  N      -3.092729      4.259660      4.699569
  Mo     -3.835178      2.805987      3.335507
  N      -4.293032      1.175402      4.676603
  C      -3.221528      0.449703      5.342904
  C      -2.072612      1.378326      5.685864
  N      -1.610042      2.092908      4.491294
  C      -0.885827      3.337147      4.793980
  C      -1.830921      4.373272      5.388241
  C      -0.830766      1.249237      3.572648
  C      -1.025349      1.774055      2.149010
  N      -2.441702      1.953768      1.954227
  H      -1.377071      5.375796      5.280008
  H      -1.959956      4.205828      6.474892
  H      -0.483572      3.715663      3.844554
  H      -0.029946      3.148625      5.469882
  H      -0.578889      1.073533      1.424798
  H      -0.511580      2.738796      2.012950
  H      -1.224998      0.225564      3.621230
  H       0.235656      1.218130      3.868999
  H      -3.579716      0.010323      6.290880
  H      -2.863639     -0.399977      4.727426
  H      -2.426067      2.122378      6.412050
  H      -1.245743      0.810941      6.159836
  C      -9.882839      0.345826      7.445415
  C      -8.845627      1.364153      7.872664
  O      -9.147408      2.545436      8.064179
  N      -7.581715      0.852997      8.035395
  C      -6.423184      1.516968      8.458886
  C      -5.241217      0.760503      8.559482
  C      -4.051358      1.358233      8.961357
  C      -4.036084      2.714049      9.267250
  F      -2.844695      3.280037      9.591041
  C      -5.189281      3.500780      9.172873
  C      -5.160214      4.979867      9.418816
  O      -4.496620      5.478488     10.315623
  C      -5.970568      5.845775      8.440414
  C      -5.758806      5.366557      7.026867
  C      -6.819011      4.852101      6.260686
  C      -6.528639      4.160490      5.087390
  N      -5.276164      3.992022      4.660077
  C      -4.242648      4.583190      5.329548
  C      -4.456399      5.279042      6.534864
  C      -6.381866      2.882471      8.768171
  C      -3.476636     -3.476921      8.034580
  C      -3.394602     -3.648232      6.532151
  O      -4.300227     -4.170620      5.883365
  N      -2.246860     -3.146532      5.961070
  C      -1.887046     -3.086845      4.602119
  C      -0.569164     -2.697883      4.304163
  C      -0.146132     -2.585474      2.985281
  C      -1.049955     -2.841386      1.962158
  F      -0.594481     -2.739521      0.682423
  C      -2.370607     -3.220363      2.215014
  C      -3.411591     -3.476054      1.154629
  O      -4.241499     -4.357325      1.318352
  C      -3.478813     -2.528215     -0.043251
  C      -3.837675     -1.154795      0.477902
  C      -5.180816     -0.848670      0.771387
  C      -5.465839      0.336755      1.441241
  N      -4.510195      1.194783      1.812825
  C      -3.209069      0.952754      1.467466
  C      -2.843511     -0.234302      0.796330
  C      -2.773482     -3.358994      3.552805
  C      -6.838502     -6.510736     13.290880
  C      -6.928788     -6.871658     11.821870
  O      -6.926308     -8.039693     11.437465
  N      -7.018375     -5.787858     10.974197
  C      -7.126736     -5.764878      9.572983
  C      -7.217131     -6.926928      8.781662
  C      -7.328644     -6.806918      7.400209
  C      -7.345022     -5.552857      6.802486
  F      -7.467039     -5.511358      5.454043
  C      -7.247230     -4.372723      7.555530
  C      -7.209265     -2.978214      7.015998
  O      -7.159921     -2.037338      7.812935
  C      -7.214841     -2.754188      5.519012
  C      -7.001944     -1.329163      5.090084
  C      -8.060051     -0.557833      4.589001
  C      -7.764627      0.727753      4.136055
  N      -6.550864      1.278616      4.155057
  C      -5.512887      0.563223      4.675581
  C      -5.731270     -0.766196      5.141917
  C      -7.144536     -4.516998      8.948232
  H     -10.318603      0.669682      6.490778
  H      -9.481887     -0.668221      7.332097
  H     -10.688401      0.340148      8.192838
  H      -7.453530     -0.139976      7.807929
  H      -5.264846     -0.300618      8.306570
  H      -3.124822      0.786683      9.026748
  H      -5.636850      6.881546      8.593372
  H      -7.038111      5.793721      8.708076
  H      -7.847092      4.907146      6.617570
  H      -7.305256      3.668409      4.502909
  H      -3.614212      5.672991      7.105725
  H      -7.296840      3.459816      8.680837
  H      -2.520407     -3.208779      8.502507
  H      -4.211362     -2.688403      8.256686
  H      -3.852312     -4.408536      8.475992
  H      -1.551160     -2.782622      6.605911
  H       0.132291     -2.486139      5.114250
  H       0.878195     -2.304060      2.740845
  H      -2.512680     -2.506313     -0.563521
  H      -4.251823     -2.917491     -0.717541
  H      -5.981847     -1.542874      0.518407
  H      -6.484457      0.595100      1.730303
  H      -1.798988     -0.448239      0.573657
  H      -3.794843     -3.664748      3.762365
  H      -5.948421     -6.994557     13.714794
  H      -6.788960     -5.431202     13.484071
  H      -7.714707     -6.925796     13.808092
  H      -7.006593     -4.873365     11.416714
  H      -7.199491     -7.903774      9.257326
  H      -7.403390     -7.692659      6.768964
  H      -8.168069     -3.146438      5.126800
  H      -6.434475     -3.405934      5.097213
  H      -9.073717     -0.955433      4.527387
  H      -8.561846      1.352297      3.715037
  H      -4.901252     -1.379246      5.489212
  H      -7.069586     -3.599097      9.535557
  N      -4.545999      4.041667      1.992335
  H      -5.150899      4.827164      2.231608
  H      -4.679377      3.770575      1.017613
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958180338765
  N      -3.088664      4.255333      4.672804
  Mo     -3.831290      2.796909      3.314732
  N      -4.284415      1.171028      4.663165
  C      -3.209702      0.446847      5.325962
  C      -2.060870      1.377278      5.664646
  N      -1.600838      2.091046      4.468682
  C      -0.879404      3.337722      4.767851
  C      -1.826445      4.373159      5.360121
  C      -0.820780      1.247408      3.550624
  C      -1.021481      1.767990      2.126382
  N      -2.439045      1.941331      1.934624
  H      -1.374912      5.376499      5.249714
  H      -1.954382      4.207628      6.447185
  H      -0.478575      3.714598      3.817141
  H      -0.022575      3.152914      5.443631
  H      -0.573705      1.069083      1.401437
  H      -0.512756      2.735073      1.987826
  H      -1.211066      0.222542      3.603875
  H       0.246553      1.221730      3.843981
  H      -3.564024      0.009402      6.276291
  H      -2.853746     -0.403887      4.710633
  H      -2.413977      2.121726      6.390616
  H      -1.232959      0.810941      6.138050
  C      -9.933015      0.386849      7.576306
  C      -8.880170      1.405424      7.962423
  O      -9.167619      2.594411      8.126778
  N      -7.619857      0.885310      8.124356
  C      -6.450126      1.548004      8.517950
  C      -5.273245      0.783718      8.619672
  C      -4.073355      1.379212      8.994100
  C      -4.043151      2.740756      9.272723
  F      -2.843457      3.303173      9.570921
  C      -5.191004      3.535046      9.176462
  C      -5.149443      5.018220      9.394817
  O      -4.478548      5.528963     10.279198
  C      -5.960325      5.871828      8.405717
  C      -5.751354      5.375372      6.997720
  C      -6.812548      4.853574      6.237697
  C      -6.523857      4.153229      5.069170
  N      -5.272180      3.984300      4.639219
  C      -4.238050      4.580378      5.303133
  C      -4.449715      5.283299      6.504669
  C      -6.393526      2.918983      8.798433
  C      -3.484245     -3.413117      8.054946
  C      -3.392900     -3.603249      6.555519
  O      -4.294028     -4.134439      5.907898
  N      -2.242877     -3.106883      5.983948
  C      -1.877918     -3.063953      4.625901
  C      -0.560377     -2.675365      4.326936
  C      -0.134226     -2.577328      3.007854
  C      -1.034643     -2.847258      1.985289
  F      -0.574944     -2.759239      0.705981
  C      -2.354834     -3.227924      2.239095
  C      -3.392965     -3.499315      1.179628
  O      -4.223020     -4.378424      1.353750
  C      -3.464861     -2.560818     -0.025450
  C      -3.826596     -1.184175      0.485861
  C      -5.170560     -0.879003      0.777005
  C      -5.458656      0.311482      1.436384
  N      -4.505547      1.175888      1.799895
  C      -3.203707      0.933878      1.456920
  C      -2.835049     -0.258571      0.797058
  C      -2.760127     -3.352117      3.577369
  C      -6.849794     -6.587814     13.244613
  C      -6.933863     -6.933997     11.771809
  O      -6.930255     -8.097999     11.375486
  N      -7.022556     -5.841562     10.934919
  C      -7.129460     -5.804769      9.533915
  C      -7.226641     -6.958507      8.731366
  C      -7.337496     -6.824749      7.351065
  C      -7.347003     -5.565055      6.765227
  F      -7.469337     -5.509689      5.417507
  C      -7.241741     -4.392750      7.529679
  C      -7.194409     -2.993701      7.002697
  O      -7.127945     -2.060929      7.807932
  C      -7.209656     -2.755818      5.507628
  C      -6.995711     -1.327475      5.089584
  C      -8.055614     -0.550195      4.602217
  C      -7.760560      0.737847      4.155929
  N      -6.544962      1.284158      4.166703
  C      -5.504756      0.562666      4.672366
  C      -5.723243     -0.767608      5.135852
  C      -7.139801     -4.550858      8.921000
  H     -10.366202      0.680334      6.610584
  H      -9.546170     -0.636064      7.498894
  H     -10.736430      0.420419      8.325174
  H      -7.503768     -0.114948      7.923465
  H      -5.309608     -0.282237      8.389422
  H      -3.151222      0.800549      9.059229
  H      -5.624449      6.908940      8.544199
  H      -7.027335      5.825505      8.676663
  H      -7.840038      4.911446      6.595762
  H      -7.301375      3.655995      4.490137
  H      -3.606554      5.681625      7.071015
  H      -7.304884      3.502017      8.711881
  H      -2.530985     -3.140649      8.526222
  H      -4.217558     -2.618483      8.260529
  H      -3.867534     -4.337037      8.505443
  H      -1.550578     -2.734050      6.627267
  H       0.138131     -2.451543      5.136333
  H       0.889876     -2.295610      2.762882
  H      -2.499858     -2.540247     -0.547705
  H      -4.238688     -2.956239     -0.695205
  H      -5.969945     -1.577044      0.529401
  H      -6.477970      0.569541      1.723034
  H      -1.789806     -0.472762      0.578053
  H      -3.781138     -3.658775      3.787179
  H      -5.972146     -7.090384     13.671977
  H      -6.785621     -5.511202     13.449070
  H      -7.738015     -6.993911     13.748843
  H      -7.006320     -4.931416     11.386072
  H      -7.214403     -7.940049      9.197411
  H      -7.417453     -7.703899      6.711299
  H      -8.166365     -3.142222      5.118409
  H      -6.433593     -3.405636      5.075146
  H      -9.070814     -0.944548      4.545892
  H      -8.559660      1.367833      3.746788
  H      -4.892365     -1.384481      5.474419
  H      -7.059899     -3.638998      9.517156
  N      -4.548659      4.025411      1.968786
  H      -5.155316      4.810075      2.206271
  H      -4.683149      3.749815      0.995477
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958332132528
  N      -3.094830      4.250528      4.694022
  Mo     -3.834913      2.801961      3.324552
  N      -4.292647      1.168023      4.660633
  C      -3.220193      0.438341      5.320858
  C      -2.071414      1.365504      5.668756
  N      -1.607722      2.087048      4.478858
  C      -0.886266      3.331234      4.788273
  C      -1.834269      4.363096      5.385231
  C      -0.825996      1.249122      3.556883
  C      -1.023311      1.779445      2.135753
  N      -2.440402      1.954706      1.941968
  H      -1.382038      5.366996      5.283073
  H      -1.965068      4.189997      6.470790
  H      -0.482872      3.714312      3.841145
  H      -0.031216      3.141271      5.464871
  H      -0.574184      1.085501      1.406890
  H      -0.513867      2.747257      2.005100
  H      -1.216977      0.224098      3.602566
  H       0.240675      1.221010      3.852384
  H      -3.577243     -0.005596      6.267163
  H      -2.863428     -0.408350      4.700403
  H      -2.425771      2.105173      6.398999
  H      -1.245289      0.795026      6.140287
  C      -9.884121      0.302242      7.535104
  C      -8.844428      1.327138      7.939329
  O      -9.148675      2.507832      8.131113
  N      -7.574383      0.823932      8.077477
  C      -6.411459      1.496949      8.474517
  C      -5.222054      0.749204      8.551675
  C      -4.029247      1.354767      8.932447
  C      -4.018075      2.710414      9.239236
  F      -2.825248      3.284873      9.542022
  C      -5.178204      3.489009      9.166001
  C      -5.156610      4.967929      9.414208
  O      -4.484038      5.470358     10.301967
  C      -5.971434      5.831219      8.436838
  C      -5.761371      5.352765      7.022909
  C      -6.821388      4.838058      6.256451
  C      -6.530891      4.147807      5.082402
  N      -5.278361      3.980697      4.654223
  C      -4.245503      4.571852      5.324229
  C      -4.459144      5.266342      6.530367
  C      -6.373925      2.862557      8.783339
  C      -3.462864     -3.404443      8.047697
  C      -3.378532     -3.594822      6.548111
  O      -4.284224     -4.123285      5.904667
  N      -2.230216     -3.098980      5.972070
  C      -1.869674     -3.052984      4.612655
  C      -0.552281     -2.665672      4.311513
  C      -0.128476     -2.565976      2.991772
  C      -1.031208     -2.832673      1.970494
  F      -0.573297     -2.743822      0.690465
  C      -2.351715     -3.211061      2.226146
  C      -3.392168     -3.478531      1.168012
  O      -4.223879     -4.356000      1.342016
  C      -3.462609     -2.539506     -0.036859
  C      -3.825435     -1.163614      0.475376
  C      -5.170052     -0.859566      0.764800
  C      -5.459418      0.328137      1.428641
  N      -4.506843      1.190678      1.798253
  C      -3.204392      0.950253      1.456542
  C      -2.834676     -0.238886      0.791409
  C      -2.754546     -3.337353      3.565111
  C      -6.870377     -6.510049     13.279740
  C      -6.957120     -6.869699     11.810343
  O      -6.945658     -8.037032     11.424130
  N      -7.051228     -5.785172     10.963766
  C      -7.157064     -5.761615      9.562389
  C      -7.253968     -6.922886      8.770815
  C      -7.364014     -6.802263      7.389265
  C      -7.372852     -5.548211      6.791429
  F      -7.494681     -5.505871      5.443339
  C      -7.267617     -4.368647      7.544833
  C      -7.217363     -2.974459      7.005175
  O      -7.155038     -2.034391      7.802218
  C      -7.226786     -2.749759      5.508012
  C      -7.008298     -1.325159      5.080076
  C      -8.065196     -0.547593      4.587157
  C      -7.766654      0.739501      4.140119
  N      -6.550464      1.284362      4.155529
  C      -5.513112      0.561507      4.663932
  C      -5.734709     -0.768101      5.126760
  C      -7.166817     -4.513619      8.937470
  H     -10.331261      0.614603      6.581766
  H      -9.481726     -0.711920      7.426523
  H     -10.680986      0.302916      8.291614
  H      -7.444240     -0.169371      7.852810
  H      -5.243862     -0.312212      8.299766
  H      -3.098324      0.788742      8.981247
  H      -5.638702      6.867532      8.588393
  H      -7.038049      5.777977      8.707986
  H      -7.849317      4.891944      6.613855
  H      -7.307418      3.654966      4.498338
  H      -3.616764      5.659086      7.101757
  H      -7.294625      3.433172      8.714895
  H      -2.507469     -3.132010      8.514685
  H      -4.195070     -2.609598      8.256437
  H      -3.844661     -4.328199      8.499899
  H      -1.535029     -2.728118      6.613463
  H       0.148294     -2.444511      5.119863
  H       0.895680     -2.285713      2.745414
  H      -2.496965     -2.518472     -0.557850
  H      -4.235790     -2.934428     -0.707647
  H      -5.968864     -1.556970      0.513543
  H      -6.479239      0.584571      1.715239
  H      -1.788906     -0.452640      0.574460
  H      -3.775524     -3.643363      3.776136
  H      -5.989143     -7.004561     13.709248
  H      -6.810788     -5.431378     13.474470
  H      -7.755366     -6.915852     13.789747
  H      -7.037426     -4.870870     11.406555
  H      -7.241946     -7.899990      9.246115
  H      -7.443749     -7.687446      6.757842
  H      -8.183311     -3.137010      5.119003
  H      -6.450630     -3.404405      5.083444
  H      -9.080853     -0.940410      4.528369
  H      -8.563528      1.370480      3.728165
  H      -4.906142     -1.385256      5.470254
  H      -7.085782     -3.596134      9.524513
  N      -4.549283      4.039745      1.985497
  H      -5.156478      4.822817      2.226923
  H      -4.681789      3.770595      1.010156
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.957809851791
  N      -3.089626      4.266191      4.718802
  Mo     -3.841806      2.816004      3.354925
  N      -4.301700      1.184692      4.695636
  C      -3.231085      0.457588      5.361372
  C      -2.079581      1.382804      5.703201
  N      -1.617289      2.093585      4.506490
  C      -0.886440      3.334359      4.806517
  C      -1.825248      4.374203      5.403820
  C      -0.844471      1.245439      3.586538
  C      -1.039133      1.769997      2.162587
  N      -2.454953      1.957353      1.970353
  H      -1.367440      5.374733      5.293906
  H      -1.951662      4.207419      6.490854
  H      -0.485572      3.711244      3.855872
  H      -0.029394      3.142112      5.479852
  H      -0.598037      1.065419      1.439005
  H      -0.520139      2.731493      2.023647
  H      -1.243584      0.223505      3.636248
  H       0.222446      1.208665      3.880745
  H      -3.590051      0.016691      6.308169
  H      -2.874608     -0.391550      4.744667
  H      -2.429473      2.128944      6.428952
  H      -1.253282      0.813795      6.176265
  C      -9.875704      0.403920      7.284721
  C      -8.848572      1.401123      7.781476
  O      -9.160338      2.565888      8.044136
  N      -7.583368      0.887587      7.926578
  C      -6.429982      1.532774      8.391046
  C      -5.253595      0.767432      8.489904
  C      -4.068325      1.347237      8.930065
  C      -4.050355      2.695125      9.269074
  F      -2.860729      3.245900      9.624203
  C      -5.196989      3.491275      9.173709
  C      -5.158854      4.966209      9.440584
  O      -4.502777      5.447367     10.352628
  C      -5.959427      5.848517      8.469652
  C      -5.748113      5.377682      7.053059
  C      -6.811451      4.874782      6.283572
  C      -6.525207      4.187500      5.106631
  N      -5.273913      4.010960      4.680524
  C      -4.236637      4.592753      5.352216
  C      -4.445843      5.284559      6.560805
  C      -6.386780      2.889590      8.737113
  C      -3.451666     -3.476048      8.049724
  C      -3.392470     -3.641715      6.545129
  O      -4.312924     -4.150504      5.906285
  N      -2.244144     -3.156445      5.961949
  C      -1.896428     -3.102589      4.599822
  C      -0.575256     -2.733786      4.289994
  C      -0.162427     -2.628203      2.967551
  C      -1.079334     -2.870026      1.952770
  F      -0.634388     -2.776436      0.668892
  C      -2.403411     -3.227791      2.217463
  C      -3.456944     -3.466927      1.165810
  O      -4.290609     -4.344787      1.330044
  C      -3.522077     -2.516396     -0.030006
  C      -3.871651     -1.141905      0.494586
  C      -5.212117     -0.829605      0.793555
  C      -5.488945      0.356072      1.466210
  N      -4.527992      1.208915      1.834693
  C      -3.229130      0.961030      1.484813
  C      -2.871326     -0.226788      0.810681
  C      -2.796998     -3.359939      3.558786
  C      -6.832910     -6.514375     13.311614
  C      -6.914743     -6.878416     11.842710
  O      -6.915440     -8.047523     11.461476
  N      -6.995506     -5.796610     10.991962
  C      -7.096572     -5.776308      9.590204
  C      -7.172961     -6.940195      8.800081
  C      -7.276641     -6.822840      7.417891
  C      -7.298751     -5.569674      6.818332
  F      -7.412447     -5.531251      5.468718
  C      -7.214976     -4.387759      7.570176
  C      -7.186465     -2.993450      7.029319
  O      -7.152972     -2.051343      7.825641
  C      -7.184525     -2.771941      5.531786
  C      -6.986574     -1.346091      5.098727
  C      -8.048960     -0.591005      4.581653
  C      -7.763726      0.693683      4.119523
  N      -6.556993      1.260309      4.147438
  C      -5.516760      0.561772      4.686411
  C      -5.723556     -0.767803      5.157462
  C      -7.119828     -4.529485      8.963810
  H     -10.305095      0.782041      6.347457
  H      -9.468115     -0.599670      7.115678
  H     -10.688005      0.349455      8.022756
  H      -7.450028     -0.091039      7.647082
  H      -5.277338     -0.286240      8.207531
  H      -3.146114      0.769078      8.999055
  H      -5.618766      6.880469      8.632860
  H      -7.028246      5.801198      8.733081
  H      -7.839490      4.935813      6.639822
  H      -7.304493      3.706940      4.516467
  H      -3.601398      5.671322      7.133201
  H      -7.295915      3.475659      8.644548
  H      -2.484538     -3.225429      8.504893
  H      -4.171536     -2.678631      8.286933
  H      -3.833040     -4.404751      8.492546
  H      -1.535713     -2.804819      6.599753
  H       0.136982     -2.534076      5.093680
  H       0.864099     -2.363530      2.713702
  H      -2.557448     -2.499408     -0.553458
  H      -4.298909     -2.900800     -0.702708
  H      -6.017344     -1.519739      0.542846
  H      -6.505287      0.618902      1.759915
  H      -1.828848     -0.444816      0.582954
  H      -3.821201     -3.648767      3.778080
  H      -5.947906     -7.001457     13.742497
  H      -6.778866     -5.434544     13.502058
  H      -7.714007     -6.923164     13.825219
  H      -6.988846     -4.881332     11.432844
  H      -7.151189     -7.916168      9.277463
  H      -7.340570     -7.710065      6.787537
  H      -8.129054     -3.177976      5.132787
  H      -6.392556     -3.415316      5.117898
  H      -9.056558     -1.002550      4.510899
  H      -8.563636      1.304303      3.683401
  H      -4.888674     -1.369138      5.513594
  H      -7.055829     -3.610381      9.550632
  N      -4.549015      4.054802      2.012795
  H      -5.149300      4.843470      2.253124
  H      -4.685932      3.784361      1.038365
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958392948101
  N      -3.091928      4.262685      4.693310
  Mo     -3.834849      2.807951      3.330499
  N      -4.291129      1.178376      4.673006
  C      -3.218869      0.453901      5.339613
  C      -2.070059      1.383268      5.680944
  N      -1.608253      2.096772      4.485464
  C      -0.884383      3.341562      4.786613
  C      -1.829629      4.377441      5.380955
  C      -0.829233      1.252575      3.567089
  C      -1.025108      1.776275      2.143265
  N      -2.441713      1.954957      1.949205
  H      -1.376522      5.380220      5.272013
  H      -1.957758      4.210345      6.467753
  H      -0.483072      3.719594      3.836591
  H      -0.027876      3.153959      5.461987
  H      -0.578643      1.075789      1.419027
  H      -0.512121      2.741317      2.006375
  H      -1.222923      0.228767      3.616983
  H       0.237427      1.222377      3.862654
  H      -3.576319      0.015621      6.288512
  H      -2.861047     -0.396375      4.724984
  H      -2.423394      2.127937      6.406549
  H      -1.242838      0.816553      6.155111
  C      -9.901899      0.356023      7.471505
  C      -8.859431      1.370918      7.894235
  O      -9.154587      2.554941      8.078722
  N      -7.597704      0.854444      8.057389
  C      -6.434789      1.514983      8.474434
  C      -5.256645      0.752885      8.576859
  C      -4.062333      1.346916      8.970433
  C      -4.039244      2.704292      9.269047
  F      -2.844227      3.265727      9.587256
  C      -5.188757      3.496386      9.173993
  C      -5.152196      4.976242      9.414802
  O      -4.487914      5.474535     10.311284
  C      -5.965527      5.842545      8.439158
  C      -5.755967      5.365360      7.024688
  C      -6.816844      4.850795      6.259467
  C      -6.527451      4.160778      5.084969
  N      -5.275317      3.993461      4.656038
  C      -4.241408      4.585058      5.324567
  C      -4.454305      5.280014      6.530523
  C      -6.385399      2.882214      8.774811
  C      -3.477838     -3.459323      8.041300
  C      -3.397345     -3.636522      6.539536
  O      -4.306496     -4.155474      5.892962
  N      -2.246688     -3.143765      5.966391
  C      -1.887016     -3.089757      4.607186
  C      -0.567142     -2.708771      4.307883
  C      -0.144100     -2.600991      2.988620
  C      -1.049747     -2.853636      1.966330
  F      -0.594198     -2.756428      0.686240
  C      -2.372307     -3.225081      2.220434
  C      -3.414573     -3.478436      1.160774
  O      -4.248034     -4.355937      1.326452
  C      -3.478797     -2.532132     -0.038644
  C      -3.836955     -1.157326      0.479557
  C      -5.180220     -0.850231      0.771478
  C      -5.465392      0.336409      1.438988
  N      -4.509929      1.195201      1.809200
  C      -3.208699      0.952623      1.464531
  C      -2.842899     -0.236029      0.796184
  C      -2.775363     -3.358930      3.558641
  C      -6.849913     -6.512567     13.284634
  C      -6.931831     -6.873585     11.815172
  O      -6.925331     -8.041605     11.430794
  N      -7.019090     -5.789924     10.967051
  C      -7.121233     -5.767167      9.565382
  C      -7.204619     -6.929321      8.773510
  C      -7.310216     -6.809464      7.391591
  C      -7.327862     -5.555383      6.793898
  F      -7.443214     -5.514156      5.444834
  C      -7.237032     -4.375008      7.547604
  C      -7.200807     -2.980094      7.008517
  O      -7.153036     -2.039311      7.805503
  C      -7.206737     -2.755613      5.511533
  C      -6.996097     -1.330067      5.083664
  C      -8.055240     -0.559756      4.583437
  C      -7.761695      0.727079      4.132661
  N      -6.548756      1.279676      4.152608
  C      -5.509931      0.564791      4.671636
  C      -5.726248     -0.765325      5.136074
  C      -7.139876     -4.519254      8.940667
  H     -10.328992      0.672551      6.510423
  H      -9.508211     -0.662277      7.371409
  H     -10.712163      0.364808      8.213677
  H      -7.474712     -0.139963      7.835011
  H      -5.286521     -0.309631      8.330942
  H      -3.138736      0.770609      9.035606
  H      -5.632229      6.878399      8.592451
  H      -7.032481      5.789429      8.708963
  H      -7.844438      4.904500      6.618016
  H      -7.304398      3.668280      4.501236
  H      -3.611704      5.674079      7.100671
  H      -7.297638      3.463807      8.686783
  H      -2.519997     -3.195015      8.508073
  H      -4.207508     -2.665119      8.260143
  H      -3.859451     -4.386768      8.486329
  H      -1.548446     -2.782426      6.609931
  H       0.135812     -2.499384      5.117284
  H       0.881647     -2.325630      2.743262
  H      -2.512065     -2.512474     -0.557881
  H      -4.251703     -2.921264     -0.713123
  H      -5.981259     -1.544742      0.519364
  H      -6.484117      0.595382      1.727023
  H      -1.798269     -0.450634      0.574601
  H      -3.798343     -3.658656      3.769010
  H      -5.963999     -6.998607     13.714574
  H      -6.799467     -5.433200     13.478391
  H      -7.730682     -6.925742     13.795688
  H      -7.010304     -4.875391     11.409522
  H      -7.186057     -7.906212      9.249057
  H      -7.379201     -7.695354      6.759885
  H      -8.158909     -3.149675      5.118746
  H      -6.424545     -3.405288      5.089908
  H      -9.068366     -0.958698      4.521372
  H      -8.559875      1.351220      3.712863
  H      -4.895321     -1.377515      5.482405
  H      -7.070255     -3.601180      9.528359
  N      -4.547291      4.042349      1.987122
  H      -5.152312      4.827766      2.226339
  H      -4.681163      3.770564      1.012665
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958146433333
  N      -3.090076      4.245309      4.689095
  Mo     -3.833918      2.787678      3.330801
  N      -4.295502      1.165941      4.680237
  C      -3.226427      0.437293      5.347029
  C      -2.074451      1.363789      5.686677
  N      -1.609783      2.075679      4.491250
  C      -0.884504      3.320229      4.790689
  C      -1.829354      4.359702      5.379726
  C      -0.830922      1.228204      3.575587
  C      -1.024296      1.749223      2.150762
  N      -2.440596      1.928327      1.954353
  H      -1.374163      5.361418      5.269832
  H      -1.960757      4.195452      6.466576
  H      -0.480799      3.694912      3.840355
  H      -0.029452      3.133015      5.468043
  H      -0.577266      1.047920      1.427713
  H      -0.510668      2.713868      2.013303
  H      -1.227145      0.205658      3.627632
  H       0.235286      1.197028      3.872511
  H      -3.585761      0.004754      6.297890
  H      -2.873277     -0.417366      4.735253
  H      -2.425938      2.109547      6.412014
  H      -1.249574      0.794135      6.161292
  C      -9.893121      0.367099      7.466974
  C      -8.848404      1.384627      7.876703
  O      -9.145663      2.567270      8.067552
  N      -7.584474      0.871005      8.029952
  C      -6.420921      1.535161      8.439423
  C      -5.235713      0.781154      8.520313
  C      -4.041938      1.379484      8.909936
  C      -4.026052      2.733582      9.223464
  F      -2.831911      3.301401      9.533356
  C      -5.182669      3.517537      9.149008
  C      -5.156801      4.995482      9.400440
  O      -4.474825      5.496284     10.281994
  C      -5.963950      5.860932      8.418904
  C      -5.755417      5.372152      7.008279
  C      -6.816317      4.853278      6.245857
  C      -6.526668      4.151798      5.078290
  N      -5.274520      3.980436      4.650421
  C      -4.240075      4.574193      5.316304
  C      -4.453180      5.277270      6.517604
  C      -6.378856      2.898505      8.756193
  C      -3.480601     -3.367275      8.066837
  C      -3.389569     -3.568735      6.569201
  O      -4.290687     -4.106335      5.926915
  N      -2.240077     -3.076542      5.993061
  C      -1.877271     -3.040038      4.634266
  C      -0.561308     -2.649310      4.331358
  C      -0.136571     -2.558753      3.011307
  C      -1.036889     -2.838270      1.991219
  F      -0.577919     -2.757803      0.711093
  C      -2.355689     -3.221540      2.248771
  C      -3.393617     -3.503737      1.191960
  O      -4.225578     -4.378764      1.376657
  C      -3.474237     -2.567677     -0.014582
  C      -3.833916     -1.190609      0.496280
  C      -5.177648     -0.882232      0.785537
  C      -5.463740      0.308256      1.445794
  N      -4.508907      1.169014      1.813874
  C      -3.207155      0.924147      1.472516
  C      -2.840976     -0.267627      0.810225
  C      -2.759246     -3.338321      3.588185
  C      -6.797044     -6.605926     13.242551
  C      -6.901279     -6.943114     11.769135
  O      -6.893716     -8.104682     11.365693
  N      -7.006181     -5.846210     10.940013
  C      -7.129808     -5.802313      9.540561
  C      -7.233670     -6.951923      8.733026
  C      -7.362965     -6.811452      7.355014
  C      -7.383338     -5.548883      6.775755
  F      -7.526187     -5.486612      5.430663
  C      -7.269499     -4.380380      7.545191
  C      -7.226294     -2.978668      7.024341
  O      -7.152110     -2.049936      7.833357
  C      -7.251399     -2.734215      5.530207
  C      -7.027018     -1.306103      5.116379
  C      -8.081763     -0.516903      4.637937
  C      -7.776709      0.770088      4.194996
  N      -6.555514      1.303561      4.199345
  C      -5.519995      0.569544      4.693605
  C      -5.748791     -0.758840      5.156117
  C      -7.150364     -4.545272      8.934274
  H     -10.332724      0.682471      6.511101
  H      -9.498003     -0.650121      7.360568
  H     -10.694191      0.374200      8.219116
  H      -7.458278     -0.122363      7.802667
  H      -5.260915     -0.278937      8.262739
  H      -3.114148      0.808374      8.958398
  H      -5.623217      6.895409      8.565112
  H      -7.031239      5.817127      8.688840
  H      -7.844134      4.911557      6.602821
  H      -7.304280      3.654976      4.498851
  H      -3.610113      5.671930      7.086706
  H      -7.296375      3.473743      8.684673
  H      -2.529922     -3.083340      8.536434
  H      -4.220373     -2.576714      8.265252
  H      -3.857679     -4.289987      8.525218
  H      -1.548019     -2.697475      6.633019
  H       0.137214     -2.418045      5.138672
  H       0.886549     -2.275645      2.763862
  H      -2.511942     -2.547891     -0.541684
  H      -4.251669     -2.964765     -0.679141
  H      -5.978621     -1.577518      0.535295
  H      -6.482935      0.568690      1.730533
  H      -1.795764     -0.484303      0.593250
  H      -3.778843     -3.647940      3.801002
  H      -5.901638     -7.092453     13.651391
  H      -6.753894     -5.530068     13.456089
  H      -7.667606     -7.036552     13.757279
  H      -6.987518     -4.938545     11.396043
  H      -7.212526     -7.935996      9.193408
  H      -7.449371     -7.687649      6.712026
  H      -8.214979     -3.110336      5.147969
  H      -6.484385     -3.388134      5.088299
  H      -9.101018     -0.901237      4.585861
  H      -8.571896      1.409665      3.793260
  H      -4.921536     -1.384251      5.487751
  H      -7.064084     -3.635867      9.533227
  N      -4.541733      4.019497      1.982369
  H      -5.146093      4.806362      2.218532
  H      -4.674386      3.744845      1.008559
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958402314391
  N      -3.091710      4.254318      4.695037
  Mo     -3.837090      2.800986      3.332260
  N      -4.295539      1.171916      4.674418
  C      -3.224086      0.445060      5.339616
  C      -2.073886      1.372535      5.681388
  N      -1.611061      2.086416      4.486473
  C      -0.885508      3.330080      4.788312
  C      -1.829384      4.367018      5.382941
  C      -0.833281      1.241729      3.567377
  C      -1.029118      1.766504      2.143915
  N      -2.445621      1.946791      1.950324
  H      -1.374860      5.369231      5.274731
  H      -1.957966      4.199478      6.469622
  H      -0.483581      3.707935      3.838485
  H      -0.029298      3.140928      5.463637
  H      -0.583560      1.066400      1.418760
  H      -0.515259      2.731200      2.007773
  H      -1.228294      0.218409      3.617112
  H       0.233434      1.210279      3.862532
  H      -3.581880      0.006724      6.288301
  H      -2.867849     -0.405379      4.724115
  H      -2.426122      2.116951      6.407771
  H      -1.247626      0.803923      6.154917
  C      -9.881686      0.339215      7.472081
  C      -8.842271      1.359014      7.890035
  O      -9.142768      2.541284      8.077659
  N      -7.578129      0.847805      8.050409
  C      -6.417223      1.513017      8.465567
  C      -5.234562      0.756883      8.560016
  C      -4.042315      1.355052      8.953868
  C      -4.025393      2.711165      9.258354
  F      -2.832172      3.277791      9.574077
  C      -5.179322      3.497609      9.170301
  C      -5.149980      4.976680      9.416604
  O      -4.479977      5.475827     10.308282
  C      -5.962081      5.843093      8.439876
  C      -5.753636      5.363870      7.025886
  C      -6.815428      4.850545      6.261113
  C      -6.527333      4.158392      5.087641
  N      -5.275604      3.988667      4.658369
  C      -4.240638      4.578923      5.326295
  C      -4.452105      5.275015      6.531944
  C      -6.374325      2.878757      8.773278
  C      -3.459747     -3.403078      8.053553
  C      -3.381040     -3.592599      6.553354
  O      -4.289046     -4.121001      5.912969
  N      -2.233639     -3.099670      5.973651
  C      -1.877420     -3.055433      4.613153
  C      -0.560556     -2.669599      4.307279
  C      -0.141281     -2.570975      2.986068
  C      -1.047930     -2.837531      1.968203
  F      -0.595541     -2.748659      0.686331
  C      -2.367714     -3.214757      2.228756
  C      -3.411878     -3.481141      1.174056
  O      -4.242073     -4.359830      1.349375
  C      -3.485160     -2.541905     -0.030365
  C      -3.843367     -1.165657      0.483700
  C      -5.186329     -0.858285      0.777156
  C      -5.470632      0.329442      1.443155
  N      -4.514552      1.188501      1.811514
  C      -3.213648      0.945127      1.465866
  C      -2.849042     -0.244080      0.798051
  C      -2.766381     -3.339640      3.569098
  C      -6.860205     -6.526675     13.276745
  C      -6.944756     -6.885372     11.806938
  O      -6.938183     -8.052738     11.420617
  N      -7.033814     -5.800342     10.960634
  C      -7.138228     -5.775669      9.559162
  C      -7.227050     -6.936565      8.766059
  C      -7.335352     -6.814828      7.384479
  C      -7.350040     -5.560090      6.788176
  F      -7.469858     -5.516828      5.439761
  C      -7.253004     -4.380923      7.543101
  C      -7.211420     -2.985697      7.005430
  O      -7.160016     -2.046110      7.803698
  C      -7.216236     -2.759361      5.508589
  C      -7.003241     -1.333396      5.082496
  C      -8.061025     -0.561515      4.582193
  C      -7.765741      0.725446      4.132800
  N      -6.552273      1.276481      4.154127
  C      -5.514767      0.560192      4.673100
  C      -5.732809     -0.769801      5.136791
  C      -7.153952     -4.527002      8.935801
  H     -10.312195      0.651960      6.511264
  H      -9.483901     -0.677617      7.372544
  H     -10.690160      0.346202      8.216234
  H      -7.450668     -0.146136      7.826621
  H      -5.260079     -0.304635      8.308915
  H      -3.115683      0.783024      9.013346
  H      -5.626685      6.878473      8.591790
  H      -7.028990      5.792450      8.710285
  H      -7.842916      4.906740      6.619457
  H      -7.305336      3.666751      4.504681
  H      -3.608623      5.667557      7.101869
  H      -7.289977      3.455724      8.691449
  H      -2.502946     -3.128965      8.516726
  H      -4.193444     -2.610834      8.266179
  H      -3.836274     -4.328441      8.507102
  H      -1.535984     -2.729057      6.612514
  H       0.143034     -2.448812      5.113100
  H       0.882232     -2.291692      2.735890
  H      -2.521166     -2.522505     -0.554566
  H      -4.260974     -2.935835     -0.698700
  H      -5.987676     -1.553316      0.527452
  H      -6.488985      0.588547      1.732684
  H      -1.804541     -0.459900      0.576997
  H      -3.787001     -3.643966      3.784365
  H      -5.973543     -7.013111     13.704598
  H      -6.810254     -5.447681     13.472584
  H      -7.740249     -6.941452     13.787886
  H      -7.022159     -4.886395     11.404247
  H      -7.210724     -7.914099      9.240349
  H      -7.409036     -7.699735      6.751934
  H      -8.169088     -3.151310      5.115276
  H      -6.435036     -3.409658      5.086360
  H      -9.074640     -0.959014      4.519202
  H      -8.563007      1.351119      3.713542
  H      -4.902923     -1.382642      5.484793
  H      -7.079582     -3.609741      9.524159
  N      -4.548525      4.036553      1.989399
  H      -5.152549      4.822628      2.229005
  H      -4.683059      3.765036      1.014966
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958337879184
  N      -3.092579      4.267294      4.696380
  Mo     -3.830516      2.812893      3.330485
  N      -4.288522      1.182734      4.671419
  C      -3.217313      0.456776      5.337547
  C      -2.069927      1.386203      5.683372
  N      -1.605977      2.102433      4.490504
  C      -0.884339      3.347670      4.795386
  C      -1.832369      4.382190      5.387925
  C      -0.823521      1.260175      3.573278
  C      -1.016339      1.785139      2.149581
  N      -2.432653      1.962575      1.952153
  H      -1.379728      5.385446      5.281471
  H      -1.963648      4.213854      6.474157
  H      -0.480501      3.727173      3.847034
  H      -0.029681      3.160106      5.473108
  H      -0.567339      1.085879      1.425724
  H      -0.503956      2.750834      2.014997
  H      -1.216016      0.235713      3.621184
  H       0.242414      1.230993      3.871591
  H      -3.576303      0.016428      6.284788
  H      -2.858357     -0.392002      4.721645
  H      -2.425465      2.129086      6.409703
  H      -1.243360      0.819118      6.158257
  C      -9.911570      0.351927      7.460926
  C      -8.869937      1.366855      7.885458
  O      -9.166788      2.549630      8.075391
  N      -7.607107      0.851778      8.044567
  C      -6.444742      1.513011      8.462176
  C      -5.265111      0.752754      8.561380
  C      -4.072276      1.346757      8.959658
  C      -4.051406      2.703045      9.263118
  F      -2.857223      3.265230      9.583065
  C      -5.201929      3.493863      9.169311
  C      -5.167251      4.973278      9.412594
  O      -4.506503      5.470707     10.312204
  C      -5.978548      5.840405      8.435965
  C      -5.764377      5.365228      7.021466
  C      -6.822500      4.849944      6.252958
  C      -6.529053      4.160800      5.079012
  N      -5.275654      3.995705      4.653082
  C      -4.244236      4.588073      5.324732
  C      -4.461154      5.281527      6.530910
  C      -6.397712      2.879024      8.768437
  C      -3.506902     -3.512861      8.021870
  C      -3.419946     -3.677453      6.519041
  O      -4.329576     -4.184056      5.863401
  N      -2.263536     -3.186382      5.956039
  C      -1.896742     -3.121684      4.599191
  C      -0.573458     -2.744738      4.310059
  C      -0.142595     -2.628897      2.994025
  C      -1.043897     -2.868643      1.964842
  F      -0.580037     -2.765826      0.688172
  C      -2.370022     -3.234253      2.208812
  C      -3.408040     -3.474580      1.141940
  O      -4.244607     -4.351295      1.295778
  C      -3.462107     -2.520295     -0.051773
  C      -3.821674     -1.147840      0.472047
  C      -5.166014     -0.841485      0.759691
  C      -5.453684      0.343292      1.429431
  N      -4.499802      1.201618      1.804801
  C      -3.197378      0.960118      1.464082
  C      -2.828909     -0.227300      0.794987
  C      -2.780883     -3.377105      3.543693
  C      -6.813391     -6.504069     13.295245
  C      -6.906936     -6.863914     11.826164
  O      -6.904881     -8.031656     11.440918
  N      -6.997246     -5.779492     10.979339
  C      -7.108148     -5.755529      9.578375
  C      -7.199685     -6.916882      8.786241
  C      -7.313881     -6.795754      7.405117
  C      -7.332024     -5.541218      6.808404
  F      -7.456150     -5.498703      5.460154
  C      -7.233070     -4.361643      7.562340
  C      -7.196271     -2.966467      7.024136
  O      -7.142465     -2.026605      7.821866
  C      -7.210943     -2.740578      5.527327
  C      -6.998853     -1.315285      5.098961
  C      -8.058665     -0.540958      4.606590
  C      -7.763733      0.745332      4.154934
  N      -6.548555      1.293246      4.165783
  C      -5.508849      0.573765      4.675570
  C      -5.726829     -0.754920      5.142536
  C      -7.127456     -4.507145      8.954641
  H     -10.339691      0.670375      6.500972
  H      -9.516590     -0.665556      7.357662
  H     -10.721201      0.357835      8.203790
  H      -7.482859     -0.141881      7.818245
  H      -5.293032     -0.308688      8.311044
  H      -3.148011      0.771371      9.023928
  H      -5.646420      6.876248      8.591832
  H      -7.046255      5.786102      8.702594
  H      -7.851099      4.901950      6.608779
  H      -7.303807      3.667512      4.493008
  H      -3.620521      5.675717      7.103874
  H      -7.310821      3.459503      8.682136
  H      -2.549944     -3.258310      8.495798
  H      -4.232900     -2.716193      8.243903
  H      -3.896374     -4.441796      8.456847
  H      -1.566510     -2.834884      6.606321
  H       0.126307     -2.545998      5.124891
  H       0.886066     -2.357586      2.756491
  H      -2.492144     -2.499294     -0.564851
  H      -4.231413     -2.903875     -0.733486
  H      -5.966184     -1.534965      0.502046
  H      -6.473561      0.601779      1.713641
  H      -1.783600     -0.440621      0.575710
  H      -3.806430     -3.673526      3.745996
  H      -5.924572     -6.991086     13.718046
  H      -6.760623     -5.424906     13.489442
  H      -7.690508     -6.916993     13.812659
  H      -6.983024     -4.865292     11.422298
  H      -7.180706     -7.894176      9.260962
  H      -7.389356     -7.680996      6.773250
  H      -8.166741     -3.131578      5.140327
  H      -6.433311     -3.392138      5.100190
  H      -9.073697     -0.936072      4.551597
  H      -8.562700      1.372785      3.741636
  H      -4.895739     -1.369700      5.483887
  H      -7.051557     -3.589659      9.542459
  N      -4.540764      4.047856      1.986449
  H      -5.147026      4.832542      2.224881
  H      -4.672120      3.776776      1.011468
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958414832111
  N      -3.092830      4.259847      4.695863
  Mo     -3.834645      2.805474      3.332093
  N      -4.292057      1.175718      4.673823
  C      -3.220077      0.449858      5.339165
  C      -2.071546      1.378815      5.682526
  N      -1.608681      2.093949      4.488399
  C      -0.885366      3.338626      4.791487
  C      -1.831451      4.374071      5.385279
  C      -0.828531      1.250784      3.569925
  C      -1.023709      1.775473      2.146371
  N      -2.440278      1.953691      1.951464
  H      -1.378175      5.376932      5.277821
  H      -1.961061      4.206111      6.471778
  H      -0.482836      3.717349      3.842259
  H      -0.029696      3.150539      5.467794
  H      -0.576423      1.076049      1.421625
  H      -0.511096      2.740919      2.010845
  H      -1.221819      0.226797      3.618997
  H       0.237925      1.221029      3.866208
  H      -3.577973      0.010277      6.287171
  H      -2.862245     -0.399622      4.723292
  H      -2.425570      2.122390      6.408906
  H      -1.244841      0.811292      6.156596
  C      -9.888962      0.343938      7.475053
  C      -8.850055      1.363323      7.895368
  O      -9.151469      2.544667      8.087229
  N      -7.584911      0.853220      8.051451
  C      -6.424162      1.519005      8.466042
  C      -5.240843      0.763783      8.560276
  C      -4.049236      1.362681      8.955140
  C      -4.033355      2.718808      9.259594
  F      -2.840619      3.286279      9.575645
  C      -5.187766      3.504432      9.170879
  C      -5.159336      4.983719      9.415174
  O      -4.491222      5.484511     10.307375
  C      -5.970659      5.847809      8.435951
  C      -5.759349      5.366425      7.023073
  C      -6.819373      4.850832      6.257328
  C      -6.528759      4.158678      5.084428
  N      -5.276286      3.990958      4.656619
  C      -4.243001      4.582751      5.325785
  C      -4.456953      5.278613      6.531147
  C      -6.382259      2.884717      8.773855
  C      -3.487908     -3.470798      8.033296
  C      -3.401414     -3.643701      6.531488
  O      -4.305388     -4.166427      5.880789
  N      -2.251622     -3.143462      5.962995
  C      -1.888643     -3.084759      4.604870
  C      -0.570416     -2.695449      4.309416
  C      -0.144574     -2.583847      2.991337
  C      -1.045949     -2.841004      1.966372
  F      -0.586984     -2.740362      0.687729
  C      -2.366951     -3.220853      2.216650
  C      -3.405453     -3.479256      1.154453
  O      -4.237533     -4.358074      1.319975
  C      -3.473170     -2.531226     -0.043360
  C      -3.832900     -1.157973      0.477903
  C      -5.176496     -0.852504      0.770407
  C      -5.462724      0.333376      1.438905
  N      -4.508040      1.192916      1.809707
  C      -3.206443      0.951356      1.465455
  C      -2.839723     -0.236564      0.796456
  C      -2.772371     -3.358583      3.553681
  C      -6.846697     -6.516537     13.287419
  C      -6.933436     -6.876382     11.817997
  O      -6.928814     -8.044072     11.432632
  N      -7.021866     -5.791934     10.970891
  C      -7.127656     -5.768200      9.569522
  C      -7.217255     -6.929641      8.777282
  C      -7.326956     -6.808806      7.395742
  C      -7.342250     -5.554452      6.798636
  F      -7.463329     -5.512059      5.450273
  C      -7.244473     -4.374772      7.552635
  C      -7.204252     -2.979922      7.013907
  O      -7.150491     -2.039897      7.811522
  C      -7.211338     -2.754702      5.516851
  C      -6.999023     -1.329172      5.088831
  C      -8.057592     -0.557816      4.589386
  C      -7.763108      0.728799      4.138412
  N      -6.549572      1.279853      4.156880
  C      -5.511140      0.563769      4.674179
  C      -5.728439     -0.765679      5.139813
  C      -7.143960     -4.519939      8.945381
  H     -10.321883      0.660285      6.516526
  H      -9.490009     -0.671912      7.370322
  H     -10.695893      0.346604      8.220877
  H      -7.456751     -0.139967      7.824917
  H      -5.265494     -0.297718      8.309042
  H      -3.122261      0.791319      9.015687
  H      -5.636619      6.883780      8.586852
  H      -7.037966      5.796369      8.704644
  H      -7.847453      4.905946      6.614167
  H      -7.305276      3.665975      4.500326
  H      -3.614786      5.672751      7.101908
  H      -7.298221      3.461192      8.691419
  H      -2.533644     -3.201271      8.504326
  H      -4.223260     -2.681497      8.250985
  H      -3.865978     -4.401413      8.474653
  H      -1.557499     -2.779118      6.609266
  H       0.129131     -2.482591      5.120871
  H       0.880142     -2.302057      2.749012
  H      -2.507155     -2.508828     -0.563700
  H      -4.246429     -2.920296     -0.717466
  H      -5.976987     -1.547250      0.517199
  H      -6.481749      0.591226      1.727103
  H      -1.794832     -0.450466      0.575420
  H      -3.793895     -3.665468      3.760880
  H      -5.959872     -7.003420     13.714455
  H      -6.795329     -5.437406     13.482141
  H      -7.726385     -6.929945     13.800233
  H      -7.008989     -4.877670     11.413799
  H      -7.200518     -7.906853      9.252232
  H      -7.401295     -7.694121      6.763841
  H      -8.164751     -3.147022      5.125335
  H      -6.430829     -3.405520      5.093983
  H      -9.071239     -0.955507      4.528152
  H      -8.561090      1.353987      3.719812
  H      -4.897963     -1.378257      5.486793
  H      -7.069516     -3.602320      9.533223
  N      -4.546475      4.040223      1.988690
  H      -5.151749      4.825485      2.227783
  H      -4.679677      3.768686      1.014078
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958379334774
  N      -3.093782      4.253074      4.692340
  Mo     -3.838378      2.798865      3.329739
  N      -4.292648      1.168563      4.672108
  C      -3.218810      0.442110      5.333892
  C      -2.069500      1.371011      5.675134
  N      -1.609536      2.087189      4.480489
  C      -0.885907      3.331878      4.782814
  C      -1.830840      4.367033      5.378977
  C      -0.830944      1.245081      3.559799
  C      -1.029799      1.770264      2.136910
  N      -2.446896      1.947730      1.945630
  H      -1.377841      5.369938      5.270716
  H      -1.958012      4.198811      6.465715
  H      -0.485231      3.711090      3.832992
  H      -0.028914      3.143622      5.457390
  H      -0.583940      1.071192      1.410945
  H      -0.518035      2.736026      2.000413
  H      -1.223281      0.220739      3.609157
  H       0.236226      1.215913      3.853584
  H      -3.573951      0.001530      6.282434
  H      -2.862506     -0.406678      4.716158
  H      -2.421934      2.114144      6.402752
  H      -1.241493      0.803547      6.147008
  C      -9.884350      0.345379      7.458551
  C      -8.845117      1.361224      7.886758
  O      -9.143991      2.543399      8.077360
  N      -7.582079      0.847489      8.048503
  C      -6.421540      1.509660      8.469407
  C      -5.241427      0.750449      8.571562
  C      -4.049693      1.346303      8.970561
  C      -4.030672      2.702999      9.272408
  F      -2.837564      3.266921      9.593369
  C      -5.181908      3.492388      9.176462
  C      -5.149143      4.972238      9.417165
  O      -4.487675      5.472326     10.314746
  C      -5.963828      5.836063      8.440501
  C      -5.755218      5.356408      7.026656
  C      -6.816821      4.840829      6.263119
  C      -6.528741      4.150061      5.088786
  N      -5.277197      3.983364      4.657946
  C      -4.242613      4.575185      5.325098
  C      -4.453978      5.270121      6.531413
  C      -6.376415      2.875978      8.774433
  C      -3.438715     -3.364640      8.052318
  C      -3.365033     -3.563272      6.552832
  O      -4.277683     -4.089805      5.917514
  N      -2.216713     -3.079401      5.967482
  C      -1.862939     -3.046192      4.606033
  C      -0.544171     -2.670677      4.295385
  C      -0.127143     -2.581886      2.972808
  C      -1.037729     -2.848005      1.958370
  F      -0.587646     -2.769220      0.675066
  C      -2.359255     -3.215539      2.223662
  C      -3.407453     -3.480169      1.172525
  O      -4.237369     -4.358821      1.349701
  C      -3.481588     -2.542730     -0.033150
  C      -3.841349     -1.166372      0.479778
  C      -5.184396     -0.861224      0.774884
  C      -5.469834      0.325845      1.441533
  N      -4.514666      1.186025      1.809238
  C      -3.213857      0.945007      1.461806
  C      -2.848049     -0.243124      0.792669
  C      -2.755961     -3.330643      3.565513
  C      -6.870394     -6.539733     13.280406
  C      -6.962304     -6.895962     11.810338
  O      -6.970874     -8.062881     11.422729
  N      -7.040094     -5.809021     10.965434
  C      -7.147740     -5.781176      9.564300
  C      -7.246914     -6.940095      8.769470
  C      -7.357015     -6.815117      7.388343
  C      -7.363559     -5.559225      6.794290
  F      -7.484588     -5.512867      5.445994
  C      -7.256724     -4.382073      7.550908
  C      -7.208012     -2.986255      7.015546
  O      -7.146989     -2.048386      7.815244
  C      -7.218747     -2.757425      5.519240
  C      -7.003860     -1.331668      5.093591
  C      -8.062437     -0.556995      4.599127
  C      -7.766397      0.729215      4.148338
  N      -6.551430      1.277253      4.162946
  C      -5.512801      0.558345      4.676207
  C      -5.731698     -0.771269      5.141217
  C      -7.155596     -4.531348      8.943196
  H     -10.307935      0.662532      6.496121
  H      -9.488244     -0.671998      7.358201
  H     -10.697520      0.351559      8.197501
  H      -7.456098     -0.146131      7.822866
  H      -5.268175     -0.311398      8.322041
  H      -3.124678      0.772409      9.036857
  H      -5.631300      6.872457      8.591772
  H      -7.030529      5.782503      8.711311
  H      -7.844040      4.894953      6.622633
  H      -7.306312      3.657281      4.506143
  H      -3.610712      5.664450      7.100388
  H      -7.289866      3.455561      8.685857
  H      -2.478398     -3.095037      8.510894
  H      -4.166080     -2.566185      8.263146
  H      -3.819869     -4.284991      8.512085
  H      -1.515410     -2.709138      6.602554
  H       0.162540     -2.449992      5.098489
  H       0.897591     -2.310606      2.718839
  H      -2.517802     -2.522778     -0.557782
  H      -4.257051     -2.938435     -0.700843
  H      -5.984802     -1.557791      0.526456
  H      -6.488161      0.583209      1.732496
  H      -1.803593     -0.456868      0.569642
  H      -3.778131     -3.626723      3.784597
  H      -5.989813     -7.039151     13.705891
  H      -6.803948     -5.461629     13.476274
  H      -7.755041     -6.941622     13.793712
  H      -7.018428     -4.895879     11.410288
  H      -7.237204     -7.918476      9.242210
  H      -7.438337     -7.698309      6.754347
  H      -8.174315     -3.146061      5.129284
  H      -6.441567     -3.410077      5.092851
  H      -9.077166     -0.952358      4.540618
  H      -8.564262      1.356614      3.732824
  H      -4.901504     -1.386584      5.484133
  H      -7.073914     -3.615863      9.533386
  N      -4.554090      4.033226      1.988176
  H      -5.158750      4.818525      2.228654
  H      -4.689787      3.761564      1.013950
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958416913145
  N      -3.092677      4.258336      4.694539
  Mo     -3.835901      2.803963      3.331541
  N      -4.293607      1.174940      4.673876
  C      -3.221662      0.448562      5.338736
  C      -2.072377      1.376900      5.681321
  N      -1.609683      2.091625      4.486899
  C      -0.885632      3.336005      4.789454
  C      -1.830965      4.372019      5.383438
  C      -0.830327      1.247940      3.568230
  C      -1.026002      1.772464      2.144698
  N      -2.442594      1.951168      1.950485
  H      -1.377228      5.374645      5.275704
  H      -1.960242      4.204244      6.470007
  H      -0.483297      3.714329      3.839982
  H      -0.029780      3.147616      5.465447
  H      -0.579352      1.072781      1.419814
  H      -0.513100      2.737709      2.008795
  H      -1.224029      0.224122      3.617726
  H       0.236262      1.217853      3.863982
  H      -3.579265      0.009405      6.287074
  H      -2.864737     -0.401267      4.722838
  H      -2.425612      2.120791      6.407774
  H      -1.245783      0.808931      6.155061
  C      -9.891963      0.344580      7.477147
  C      -8.851040      1.362374      7.896266
  O      -9.150628      2.544031      8.089091
  N      -7.586129      0.850743      8.049395
  C      -6.423924      1.515002      8.462547
  C      -5.241085      0.758630      8.553689
  C      -4.048217      1.356013      8.947023
  C      -4.030666      2.711667      9.253573
  F      -2.836961      3.277566      9.568746
  C      -5.184511      3.498456      9.167927
  C      -5.154401      4.977458      9.414282
  O      -4.486184      5.476325     10.307476
  C      -5.966838      5.843686      8.437752
  C      -5.757179      5.365137      7.023723
  C      -6.817982      4.850404      6.258485
  C      -6.528456      4.158500      5.085197
  N      -5.276301      3.990301      4.656609
  C      -4.242365      4.581823      5.325024
  C      -4.455275      5.277780      6.530477
  C      -6.380193      2.880338      8.771911
  C      -3.468970     -3.430442      8.047339
  C      -3.388905     -3.614055      6.546451
  O      -4.298412     -4.135597      5.902541
  N      -2.238879     -3.122911      5.970445
  C      -1.880504     -3.073905      4.610659
  C      -0.561614     -2.691993      4.308550
  C      -0.139786     -2.589434      2.988455
  C      -1.045779     -2.848156      1.967999
  F      -0.590866     -2.756208      0.687242
  C      -2.367519     -3.220934      2.224789
  C      -3.410657     -3.479788      1.167242
  O      -4.242493     -4.358103      1.336664
  C      -3.478158     -2.537015     -0.034801
  C      -3.837110     -1.161589      0.481182
  C      -5.180495     -0.854947      0.773354
  C      -5.465970      0.331981      1.440239
  N      -4.510694      1.191249      1.810066
  C      -3.209365      0.948865      1.465390
  C      -2.843481     -0.239784      0.797230
  C      -2.768995     -3.349723      3.563943
  C      -6.853599     -6.525754     13.280275
  C      -6.939145     -6.883725     11.810328
  O      -6.933571     -8.050894     11.423419
  N      -7.027117     -5.798190     10.964548
  C      -7.131639     -5.772670      9.563127
  C      -7.220100     -6.933111      8.769281
  C      -7.328500     -6.810542      7.387797
  C      -7.343827     -5.555414      6.792301
  F      -7.463252     -5.511316      5.443862
  C      -7.247305     -4.376661      7.547966
  C      -7.206776     -2.981153      7.010971
  O      -7.153277     -2.042011      7.809669
  C      -7.214838     -2.754167      5.514276
  C      -7.001953     -1.328277      5.088068
  C      -8.060262     -0.555710      4.589973
  C      -7.765131      0.731224      4.140333
  N      -6.551164      1.281304      4.158739
  C      -5.513005      0.563999      4.674778
  C      -5.731051     -0.765613      5.139447
  C      -7.147825     -4.523599      8.940599
  H     -10.325577      0.661663      6.519166
  H      -9.494583     -0.671801      7.371710
  H     -10.697973      0.348371      8.223952
  H      -7.459557     -0.142516      7.822252
  H      -5.267122     -0.302497      8.301052
  H      -3.121650      0.783748      9.005264
  H      -5.632519      6.879321      8.590314
  H      -7.033837      5.791812      8.707608
  H      -7.845682      4.905108      6.616479
  H      -7.305499      3.665651      4.501892
  H      -3.612547      5.671277      7.100847
  H      -7.295850      3.457648      8.692248
  H      -2.511475     -3.163205      8.513086
  H      -4.198899     -2.635333      8.262286
  H      -3.850897     -4.355786      8.496366
  H      -1.540651     -2.757932      6.611924
  H       0.141588     -2.477613      5.116438
  H       0.885285     -2.313350      2.741118
  H      -2.512302     -2.517272     -0.555604
  H      -4.251964     -2.928414     -0.706923
  H      -5.981304     -1.550009      0.522019
  H      -6.484705      0.590504      1.728777
  H      -1.798737     -0.454638      0.576454
  H      -3.791214     -3.650728      3.776212
  H      -5.967175     -7.013217     13.707472
  H      -6.802424     -5.446883     13.476455
  H      -7.733769     -6.939837     13.791717
  H      -7.014637     -4.884493     11.408634
  H      -7.203358     -7.910940      9.242957
  H      -7.401731     -7.695066      6.754661
  H      -8.168627     -3.145581      5.122774
  H      -6.434786     -3.404802      5.090258
  H      -9.074127     -0.952792      4.528411
  H      -8.562847      1.357386      3.722679
  H      -4.900837     -1.379238      5.485187
  H      -7.074135     -3.606737      9.529692
  N      -4.547915      4.038642      1.988183
  H      -5.152729      4.824230      2.227363
  H      -4.681705      3.766890      1.013716
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958402878567
  N      -3.091985      4.258276      4.696105
  Mo     -3.833877      2.803800      3.332181
  N      -4.291035      1.173838      4.673598
  C      -3.219074      0.447733      5.338660
  C      -2.070492      1.376594      5.682067
  N      -1.608034      2.092137      4.488021
  C      -0.884628      3.336738      4.791355
  C      -1.830553      4.372175      5.385487
  C      -0.827955      1.249209      3.569265
  C      -1.022860      1.774335      2.145838
  N      -2.439373      1.952941      1.951019
  H      -1.377126      5.374982      5.278157
  H      -1.960082      4.204042      6.471968
  H      -0.482190      3.715683      3.842179
  H      -0.028896      3.148417      5.467511
  H      -0.575801      1.074731      1.421131
  H      -0.509875      2.739595      2.010412
  H      -1.221444      0.225251      3.617841
  H       0.238464      1.219119      3.865670
  H      -3.576926      0.007857      6.286521
  H      -2.861341     -0.401585      4.722532
  H      -2.424334      2.119965      6.408732
  H      -1.243576      0.809025      6.155720
  C      -9.879336      0.341390      7.456912
  C      -8.843056      1.361560      7.881821
  O      -9.145671      2.543236      8.069650
  N      -7.579293      0.851332      8.048342
  C      -6.421266      1.517482      8.469917
  C      -5.239346      0.761550      8.574986
  C      -4.049905      1.360833      8.975673
  C      -4.034900      2.717969      9.275587
  F      -2.843871      3.285414      9.598089
  C      -5.188044      3.504228      9.176750
  C      -5.159745      4.984189      9.417103
  O      -4.496004      5.486770     10.311576
  C      -5.971115      5.846127      8.435973
  C      -5.758857      5.363549      7.023613
  C      -6.818682      4.847558      6.257886
  C      -6.527856      4.155885      5.084781
  N      -5.275373      3.988961      4.656816
  C      -4.242179      4.580887      5.326105
  C      -4.456382      5.276312      6.531715
  C      -6.380356      2.884188      8.773691
  C      -3.499296     -3.483000      8.025257
  C      -3.409495     -3.651742      6.523121
  O      -4.308465     -4.180131      5.870010
  N      -2.261869     -3.143365      5.957635
  C      -1.896543     -3.080337      4.600355
  C      -0.579748     -2.683593      4.308269
  C      -0.151551     -2.568350      2.991291
  C      -1.049272     -2.829191      1.964050
  F      -0.588154     -2.724695      0.686522
  C      -2.368892     -3.215896      2.210978
  C      -3.403616     -3.478205      1.146079
  O      -4.235017     -4.357741      1.311229
  C      -3.473051     -2.528653     -0.050368
  C      -3.832797     -1.156283      0.473127
  C      -5.176217     -0.851323      0.766892
  C      -5.462075      0.333524      1.437382
  N      -4.507146      1.192325      1.809172
  C      -3.205726      0.951388      1.463801
  C      -2.839401     -0.235368      0.792520
  C      -2.776682     -3.357138      3.546944
  C      -6.845580     -6.510124     13.293839
  C      -6.932945     -6.871340     11.824770
  O      -6.930961     -8.039466     11.440697
  N      -7.019295     -5.787630     10.976533
  C      -7.125212     -5.765073      9.575160
  C      -7.214390     -6.927203      8.783870
  C      -7.323944     -6.807524      7.402232
  C      -7.339529     -5.553649      6.804099
  F      -7.460166     -5.512444      5.455615
  C      -7.242273     -4.373313      7.557138
  C      -7.202625     -2.978860      7.017308
  O      -7.149349     -2.038146      7.814141
  C      -7.211395     -2.754714      5.520167
  C      -6.998890     -1.329620      5.091082
  C      -8.057458     -0.558024      4.591941
  C      -7.762634      0.728146      4.139939
  N      -6.548813      1.278684      4.157366
  C      -5.510390      0.562294      4.674467
  C      -5.728024     -0.766742      5.140958
  C      -7.141817     -4.517324      8.950027
  H     -10.307345      0.656860      6.495911
  H      -9.479486     -0.674409      7.355276
  H     -10.690224      0.344372      8.198460
  H      -7.450085     -0.142542      7.825353
  H      -5.263098     -0.300692      8.326903
  H      -3.123783      0.789018      9.044483
  H      -5.638355      6.882651      8.585891
  H      -7.038577      5.793934      8.703917
  H      -7.846807      4.902397      6.614661
  H      -7.304162      3.663091      4.500482
  H      -3.614399      5.670915      7.102428
  H      -7.295237      3.461161      8.683116
  H      -2.547574     -3.207979      8.498260
  H      -4.240592     -2.699571      8.243921
  H      -3.871165     -4.417407      8.463915
  H      -1.571185     -2.775896      6.605831
  H       0.116947     -2.468281      5.121526
  H       0.872253     -2.281077      2.751547
  H      -2.507419     -2.505011     -0.571333
  H      -4.246497     -2.917362     -0.724475
  H      -5.976836     -1.545667      0.512991
  H      -6.480930      0.591031      1.726435
  H      -1.794655     -0.448812      0.570307
  H      -3.797107     -3.669330      3.751655
  H      -5.957668     -6.995387     13.720543
  H      -6.795399     -5.430748     13.487542
  H      -7.724172     -6.924269     13.807876
  H      -7.005553     -4.872971     11.418592
  H      -7.197476     -7.904008      9.259654
  H      -7.397866     -7.693391      6.771053
  H      -8.165343     -3.146959      5.129886
  H      -6.431543     -3.406093      5.096926
  H      -9.071301     -0.955361      4.531487
  H      -8.560563      1.353400      3.721335
  H      -4.897573     -1.379566      5.487549
  H      -7.067757     -3.599224      9.537187
  N      -4.545514      4.039071      1.989091
  H      -5.150576      4.824403      2.228475
  H      -4.678797      3.767968      1.014366
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958419392406
  N      -3.093399      4.258865      4.694959
  Mo     -3.835725      2.804050      3.331768
  N      -4.292293      1.174421      4.673850
  C      -3.219756      0.448604      5.338361
  C      -2.071127      1.377663      5.681122
  N      -1.609050      2.092997      4.486811
  C      -0.885796      3.337781      4.789666
  C      -1.831744      4.373121      5.383870
  C      -0.829099      1.250081      3.567943
  C      -1.025088      1.774758      2.144486
  N      -2.441778      1.952698      1.950387
  H      -1.378562      5.376012      5.276264
  H      -1.960895      4.205113      6.470418
  H      -0.483658      3.716562      3.840294
  H      -0.029856      3.149767      5.465649
  H      -0.578089      1.075349      1.419549
  H      -0.512687      2.740282      2.008686
  H      -1.222055      0.225956      3.617160
  H       0.237505      1.220651      3.863722
  H      -3.576933      0.008806      6.286527
  H      -2.862248     -0.400718      4.722099
  H      -2.424835      2.121166      6.407740
  H      -1.244058      0.810247      6.154693
  C      -9.887053      0.342497      7.473511
  C      -8.848195      1.361492      7.894885
  O      -9.149564      2.542760      8.087292
  N      -7.583054      0.851243      8.050751
  C      -6.422464      1.516723      8.466377
  C      -5.239393      0.761229      8.561729
  C      -4.047914      1.360003      8.957160
  C      -4.031958      2.716181      9.261425
  F      -2.839354      3.283381      9.578449
  C      -5.186085      3.502070      9.171662
  C      -5.157405      4.981477      9.415459
  O      -4.490740      5.482333     10.308707
  C      -5.969700      5.845307      8.436780
  C      -5.758957      5.364503      7.023636
  C      -6.819264      4.848638      6.258471
  C      -6.529112      4.156675      5.085356
  N      -5.276813      3.989389      4.656876
  C      -4.243331      4.581534      5.325437
  C      -4.456835      5.277379      6.530879
  C      -6.380400      2.882549      8.773806
  C      -3.476021     -3.447698      8.036998
  C      -3.392945     -3.626115      6.535599
  O      -4.299282     -4.149245      5.888512
  N      -2.243470     -3.129754      5.963072
  C      -1.882736     -3.076744      4.604100
  C      -0.564173     -2.691243      4.305126
  C      -0.140258     -2.585181      2.985982
  C      -1.043913     -2.843867      1.963429
  F      -0.586797     -2.748871      0.683695
  C      -2.365350     -3.219881      2.217172
  C      -3.406266     -3.478918      1.157469
  O      -4.237844     -4.357821      1.325124
  C      -3.475000     -2.533027     -0.041990
  C      -3.834716     -1.159138      0.477632
  C      -5.178166     -0.853950      0.771006
  C      -5.464210      0.331928      1.439557
  N      -4.509403      1.191493      1.809887
  C      -3.208014      0.950366      1.464557
  C      -2.841536     -0.237271      0.794913
  C      -2.768820     -3.352334      3.555348
  C      -6.856255     -6.521243     13.286772
  C      -6.943188     -6.880511     11.817199
  O      -6.941838     -8.048103     11.431529
  N      -7.027859     -5.795581     10.970320
  C      -7.132859     -5.771068      9.568917
  C      -7.223644     -6.932033      8.776097
  C      -7.332177     -6.810408      7.394543
  C      -7.345238     -5.555753      6.797998
  F      -7.464952     -5.512643      5.449533
  C      -7.246385     -4.376536      7.552598
  C      -7.203957     -2.981502      7.014557
  O      -7.148610     -2.041925      7.812625
  C      -7.212223     -2.755454      5.517706
  C      -6.999664     -1.329832      5.090294
  C      -8.058385     -0.557954      4.591957
  C      -7.763819      0.728683      4.141142
  N      -6.550067      1.279285      4.158810
  C      -5.511451      0.562706      4.675111
  C      -5.728871     -0.766744      5.140708
  C      -7.146969     -4.522500      8.945348
  H     -10.319350      0.659411      6.514888
  H      -9.488147     -0.673332      7.368510
  H     -10.694421      0.344913      8.218855
  H      -7.455111     -0.142019      7.824375
  H      -5.264061     -0.300282      8.310577
  H      -3.121031      0.788600      9.018704
  H      -5.636324      6.881476      8.587783
  H      -7.036844      5.793069      8.706009
  H      -7.847130      4.903250      6.616017
  H      -7.305740      3.663560      4.501746
  H      -3.614484      5.671803      7.101165
  H      -7.296169      3.459217      8.690711
  H      -2.520125     -3.178653      8.504998
  H      -4.209144     -2.656021      8.253588
  H      -3.855114     -4.375955      8.482403
  H      -1.547442     -2.764434      6.606747
  H       0.137164     -2.477054      5.114681
  H       0.884666     -2.306489      2.740967
  H      -2.509394     -2.511178     -0.563115
  H      -4.248686     -2.923354     -0.714882
  H      -5.978611     -1.549110      0.518784
  H      -6.483037      0.589510      1.728627
  H      -1.796783     -0.450947      0.573096
  H      -3.790713     -3.656076      3.765295
  H      -5.970768     -7.010421     13.713988
  H      -6.802130     -5.442272     13.481636
  H      -7.737117     -6.932485     13.799264
  H      -7.012896     -4.881504     11.413541
  H      -7.208745     -7.909468      9.250646
  H      -7.407256     -7.695315      6.762160
  H      -8.166088     -3.147150      5.126659
  H      -6.432360     -3.406493      5.093949
  H      -9.072144     -0.955415      4.531058
  H      -8.561900      1.354230      3.723264
  H      -4.898358     -1.379804      5.486785
  H      -7.071600     -3.605318      9.533749
  N      -4.548628      4.038466      1.988638
  H      -5.153815      4.823719      2.227965
  H      -4.682368      3.766807      1.014138
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958418648232
  N      -3.092642      4.258586      4.694080
  Mo     -3.835491      2.803520      3.331419
  N      -4.292518      1.174550      4.674014
  C      -3.220315      0.448710      5.339076
  C      -2.071296      1.377498      5.681299
  N      -1.609073      2.092197      4.486665
  C      -0.885360      3.336853      4.788979
  C      -1.830936      4.372675      5.382928
  C      -0.829504      1.248623      3.568064
  C      -1.025186      1.772980      2.144471
  N      -2.441805      1.951437      1.950253
  H      -1.377451      5.375400      5.275056
  H      -1.960103      4.204987      6.469524
  H      -0.483247      3.715181      3.839416
  H      -0.029383      3.148791      5.464901
  H      -0.578450      1.073182      1.419754
  H      -0.512364      2.738246      2.008418
  H      -1.223018      0.224733      3.617574
  H       0.237074      1.218764      3.863890
  H      -3.577767      0.009759      6.287551
  H      -2.863156     -0.401233      4.723452
  H      -2.424651      2.121407      6.407669
  H      -1.244411      0.809907      6.154984
  C      -9.887613      0.343291      7.473633
  C      -8.847877      1.361637      7.894383
  O      -9.148402      2.543142      8.086673
  N      -7.582960      0.850653      8.049599
  C      -6.421751      1.515567      8.464472
  C      -5.238896      0.759581      8.558604
  C      -4.046866      1.357751      8.953275
  C      -4.030174      2.713770      9.258244
  F      -2.837134      3.280324      9.574752
  C      -5.184066      3.500163      9.169722
  C      -5.154610      4.979482      9.414158
  O      -4.488170      5.479655     10.307957
  C      -5.967739      5.844103      8.436791
  C      -5.757624      5.364658      7.023125
  C      -6.818186      4.849120      6.258094
  C      -6.528359      4.157197      5.084894
  N      -5.276149      3.989631      4.656259
  C      -4.242430      4.581718      5.324545
  C      -4.455669      5.277753      6.529914
  C      -6.378905      2.881271      8.772390
  C      -3.477329     -3.444876      8.041611
  C      -3.394436     -3.624345      6.540345
  O      -4.300428     -4.148963      5.893968
  N      -2.245813     -3.126743      5.967136
  C      -1.885444     -3.073649      4.608048
  C      -0.567526     -2.686131      4.308794
  C      -0.143879     -2.579816      2.989584
  C      -1.047148     -2.840433      1.967188
  F      -0.590549     -2.744511      0.687333
  C      -2.367897     -3.218571      2.221158
  C      -3.408352     -3.479248      1.161446
  O      -4.239030     -4.358978      1.329204
  C      -3.476465     -2.534984     -0.039357
  C      -3.835830     -1.160368      0.478446
  C      -5.179197     -0.854507      0.771507
  C      -5.464805      0.331685      1.439656
  N      -4.509662      1.190901      1.809927
  C      -3.208358      0.949278      1.464578
  C      -2.842359     -0.238615      0.795149
  C      -2.771177     -3.350971      3.559409
  C      -6.855274     -6.523147     13.284303
  C      -6.941071     -6.881769     11.814526
  O      -6.937402     -8.049166     11.428279
  N      -7.027042     -5.796557     10.968137
  C      -7.131311     -5.771585      9.566692
  C      -7.219898     -6.932323      8.773289
  C      -7.327934     -6.810282      7.391734
  C      -7.342745     -5.555390      6.795717
  F      -7.461859     -5.511813      5.447237
  C      -7.246024     -4.376362      7.550927
  C      -7.204890     -2.981086      7.013355
  O      -7.150383     -2.041663      7.811666
  C      -7.213200     -2.754712      5.516573
  C      -7.000469     -1.329023      5.089613
  C      -8.058908     -0.556903      4.591089
  C      -7.764003      0.729797      4.140646
  N      -6.550140      1.280127      4.158758
  C      -5.511823      0.563262      4.675201
  C      -5.729631     -0.766145      5.140609
  C      -7.146945     -4.522765      8.943656
  H     -10.320232      0.660444      6.515232
  H      -9.489458     -0.672800      7.368384
  H     -10.694577      0.346343      8.219414
  H      -7.455650     -0.142671      7.823155
  H      -5.264169     -0.301836      8.307077
  H      -3.120201      0.785884      9.013774
  H      -5.634440      6.880185      8.588550
  H      -7.034730      5.791448      8.706545
  H      -7.845919      4.903505      6.616053
  H      -7.305153      3.663960      4.501592
  H      -3.613134      5.671861      7.100147
  H      -7.294543      3.458297      8.690355
  H      -2.521838     -3.173739      8.509211
  H      -4.211817     -2.654294      8.257702
  H      -3.854771     -4.373392      8.487884
  H      -1.550153     -2.760078      6.610440
  H       0.133508     -2.470463      5.118220
  H       0.880533     -2.299384      2.744415
  H      -2.510614     -2.514114     -0.560136
  H      -4.250063     -2.925938     -0.711980
  H      -5.979876     -1.549555      0.519722
  H      -6.483521      0.589675      1.728740
  H      -1.797643     -0.452867      0.573631
  H      -3.792625     -3.656094      3.769510
  H      -5.968565     -7.010125     13.711490
  H      -6.804372     -5.444184     13.480045
  H      -7.735142     -6.937338     13.796155
  H      -7.013553     -4.882662     11.411778
  H      -7.203618     -7.909960      9.247379
  H      -7.401265     -7.695046      6.758943
  H      -8.167024     -3.146359      5.125397
  H      -6.433181     -3.405529      5.092738
  H      -9.072683     -0.954245      4.529686
  H      -8.561834      1.355564      3.722626
  H      -4.899270     -1.379405      5.486649
  H      -7.073110     -3.605691      9.532409
  N      -4.547882      4.037916      1.987962
  H      -5.152841      4.823390      2.227137
  H      -4.681655      3.766121      1.013502
122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655467-MltG/orca E -7414.958418551148
  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      -1.378596      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      4.306742
  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     -4.357953      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
  N      -4.549528      4.038182      1.988125
  H      -5.154704      4.823436      2.227474
  H      -4.683508      3.766327      1.013713
