72
Coordinates from ORCA-job orca E -13782.900299803990
  N      -2.147667      1.056993      5.586687
  Mo     -3.711266      2.326173      5.095560
  N      -4.639283      1.478547      6.841454
  C      -4.401971      2.299328      8.013617
  C      -2.899719      2.515478      8.116270
  N      -2.432424      3.169508      6.873879
  C      -1.011307      2.837628      6.642438
  C      -0.897486      1.358224      6.227201
  C      -2.614021      4.630836      6.993600
  C      -3.182745      5.177654      5.687494
  N      -4.238395      4.279281      5.253031
  H      -0.054487      1.218223      5.538888
  H      -0.737005      0.701282      7.091623
  H      -0.641475      3.472936      5.832610
  H      -0.421272      3.034660      7.544967
  H      -3.586177      6.186787      5.826357
  H      -2.409397      5.209037      4.907806
  H      -3.339046      4.840072      7.784399
  H      -1.672486      5.127090      7.246233
  H      -4.769238      1.766982      8.898472
  H      -4.950882      3.248650      7.927527
  H      -2.429618      1.534715      8.217642
  H      -2.640494      3.118968      8.991829
  C      -2.478362     -0.004552      4.932698
  N      -3.661200      0.189142      4.344470
  C      -4.352146     -0.703785      3.606034
  O      -5.194050     -0.301119      2.790686
  C      -4.099526     -2.154621      3.806070
  C      -4.155427     -3.020643      2.715782
  C      -3.935312     -4.375083      2.894639
  C      -3.673913     -4.883141      4.157038
  C      -3.646652     -4.016497      5.238101
  Br     -3.304822     -4.693255      6.985180
  C      -3.855896     -2.658242      5.082155
  C      -5.420889      4.801852      5.036623
  N      -5.796108      6.022470      5.334913
  C      -7.014306      6.378216      4.834595
  O      -7.505363      5.857684      3.827587
  C      -7.703709      7.459260      5.574614
  C      -8.816875      8.082629      5.015896
  C      -9.506879      9.048195      5.726612
  C      -9.098761      9.398542      7.003467
  C      -7.987771      8.773410      7.546309
  Br     -7.420764      9.235123      9.300542
  C      -7.282084      7.811507      6.852703
  C      -5.746528      1.660138      6.170653
  N      -6.651644      2.593686      6.492465
  C      -7.706305      2.788798      5.701190
  O      -7.856469      2.284536      4.559325
  C      -8.691025      3.765180      6.234097
  C      -8.624999      4.220727      7.547915
  C      -9.517612      5.175875      7.998544
  C     -10.474419      5.698207      7.143841
  C     -10.528464      5.238684      5.838127
  Br    -11.826636      5.958232      4.658989
  C      -9.658327      4.274202      5.373650
  H      -1.847598     -0.888005      4.791024
  H      -4.365801     -2.612701      1.739083
  H      -3.969846     -5.041610      2.047650
  H      -3.501919     -5.938036      4.302290
  H      -3.861220     -2.002168      5.941004
  H      -6.179066      4.164456      4.601155
  H      -9.124485      7.793784      4.021699
  H     -10.370615      9.523970      5.289409
  H      -9.634904     10.144915      7.568873
  H      -6.419128      7.324589      7.278521
  H      -6.051835      0.826522      5.520946
  H      -7.867635      3.810737      8.196962
  H      -9.470918      5.520774      9.019759
  H     -11.170960      6.449547      7.480961
  H      -9.692524      3.919589      4.352917
  N      -2.743337      2.743538      3.244663
72
Coordinates from ORCA-job orca E -13782.943771897062
  N      -2.106023      1.054512      5.598613
  Mo     -3.668617      2.329523      5.100842
  N      -4.612267      1.485496      6.854418
  C      -4.369022      2.309910      8.031110
  C      -2.867384      2.520977      8.124128
  N      -2.389682      3.177481      6.873541
  C      -0.963133      2.839061      6.641445
  C      -0.853946      1.360219      6.238184
  C      -2.567187      4.651140      6.984707
  C      -3.125751      5.192731      5.679709
  N      -4.190068      4.293674      5.250888
  H      -0.008039      1.216062      5.550370
  H      -0.695557      0.707581      7.109752
  H      -0.593346      3.472174      5.826745
  H      -0.372683      3.043105      7.546310
  H      -3.525384      6.206546      5.811368
  H      -2.348594      5.214120      4.898991
  H      -3.293604      4.864594      7.776916
  H      -1.618975      5.140972      7.240821
  H      -4.735126      1.779598      8.922956
  H      -4.915567      3.263167      7.950807
  H      -2.394363      1.538015      8.223462
  H      -2.599506      3.128940      8.998556
  C      -2.452980     -0.013593      4.943982
  N      -3.639654      0.193076      4.355791
  C      -4.356168     -0.698075      3.608877
  O      -5.200808     -0.295598      2.801191
  C      -4.113669     -2.158491      3.806900
  C      -4.187114     -3.018696      2.706783
  C      -3.981358     -4.382813      2.875825
  C      -3.717321     -4.907669      4.139415
  C      -3.672318     -4.045638      5.230209
  Br     -3.329297     -4.743414      6.972119
  C      -3.866188     -2.677571      5.083871
  C      -5.391637      4.806598      5.017057
  N      -5.776506      6.031341      5.304570
  C      -7.006094      6.395884      4.792511
  O      -7.511859      5.891958      3.779424
  C      -7.706899      7.470367      5.549716
  C      -8.825725      8.092731      4.989100
  C      -9.532373      9.046830      5.711182
  C      -9.136496      9.386578      7.003073
  C      -8.018575      8.762307      7.548197
  Br     -7.470469      9.207338      9.320222
  C      -7.295402      7.812837      6.842064
  C      -5.740688      1.666732      6.179330
  N      -6.651516      2.590604      6.505263
  C      -7.726654      2.792793      5.699028
  O      -7.873275      2.304245      4.557115
  C      -8.723038      3.766504      6.239811
  C      -8.673330      4.208955      7.567123
  C      -9.581477      5.157578      8.022905
  C     -10.537920      5.687188      7.160847
  C     -10.574202      5.242441      5.841374
  Br    -11.867745      5.974364      4.653810
  C      -9.687380      4.286652      5.371166
  H      -1.829398     -0.905708      4.805446
  H      -4.401194     -2.598686      1.727675
  H      -4.029522     -5.048216      2.017887
  H      -3.556892     -5.973249      4.276610
  H      -3.858275     -2.024860      5.953003
  H      -6.137372      4.147271      4.566052
  H      -9.127557      7.810091      3.984111
  H     -10.404741      9.523623      5.271718
  H      -9.688775     10.124396      7.578309
  H      -6.426224      7.324971      7.271211
  H      -6.035593      0.839284      5.509408
  H      -7.915437      3.794177      8.224722
  H      -9.546980      5.494072      9.056213
  H     -11.246032      6.436453      7.503318
  H      -9.702012      3.949423      4.338843
  N      -2.746935      2.717332      3.362996
72
Coordinates from ORCA-job orca E -13782.980537229225
  N      -2.080269      1.050615      5.602006
  Mo     -3.642914      2.332996      5.102471
  N      -4.598077      1.490126      6.865410
  C      -4.348976      2.318779      8.042001
  C      -2.847174      2.526357      8.125991
  N      -2.362850      3.182952      6.869455
  C      -0.933373      2.838973      6.636660
  C      -0.827370      1.360232      6.240366
  C      -2.536938      4.664780      6.977434
  C      -3.091605      5.206023      5.675840
  N      -4.160437      4.308403      5.251386
  H       0.019971      1.214405      5.552759
  H      -0.669774      0.710017      7.115455
  H      -0.564408      3.471242      5.819637
  H      -0.342748      3.046853      7.542353
  H      -3.488965      6.222265      5.805462
  H      -2.314432      5.223229      4.892937
  H      -3.262476      4.878233      7.772210
  H      -1.584126      5.148300      7.235842
  H      -4.712677      1.791991      8.939231
  H      -4.894010      3.274389      7.964544
  H      -2.372228      1.542813      8.223791
  H      -2.572163      3.138542      8.997391
  C      -2.440699     -0.019853      4.945321
  N      -3.629059      0.198450      4.360366
  C      -4.364592     -0.690530      3.607859
  O      -5.209338     -0.288985      2.807740
  C      -4.126308     -2.156124      3.807141
  C      -4.211755     -3.013359      2.701970
  C      -4.012607     -4.382486      2.865628
  C      -3.743358     -4.916290      4.129497
  C      -3.686318     -4.056118      5.225035
  Br     -3.337349     -4.765105      6.962875
  C      -3.873046     -2.682786      5.083925
  C      -5.375929      4.809891      5.010743
  N      -5.764807      6.033930      5.295774
  C      -7.004502      6.395055      4.782182
  O      -7.521029      5.897387      3.770932
  C      -7.709614      7.468100      5.548553
  C      -8.835345      8.085573      4.989642
  C      -9.548043      9.036401      5.717010
  C      -9.152263      9.378042      7.013345
  C      -8.026969      8.757770      7.556622
  Br     -7.479989      9.204187      9.333116
  C      -7.297240      7.812083      6.844772
  C      -5.742181      1.673371      6.191990
  N      -6.650937      2.590234      6.520557
  C      -7.738015      2.788629      5.697428
  O      -7.876880      2.300638      4.563234
  C      -8.740708      3.763797      6.234670
  C      -8.700571      4.210473      7.565208
  C      -9.617672      5.159591      8.014533
  C     -10.573584      5.685379      7.142950
  C     -10.599212      5.236474      5.820155
  Br    -11.890604      5.963978      4.621009
  C      -9.703278      4.281306      5.356038
  H      -1.823314     -0.917635      4.807143
  H      -4.430347     -2.587700      1.722853
  H      -4.070006     -5.047130      2.003157
  H      -3.588401     -5.986463      4.261995
  H      -3.855783     -2.032193      5.957809
  H      -6.110834      4.132552      4.555788
  H      -9.138640      7.801539      3.982548
  H     -10.427081      9.510518      5.279307
  H      -9.710109     10.113370      7.592378
  H      -6.422297      7.327555      7.273274
  H      -6.030186      0.849773      5.511055
  H      -7.943460      3.799736      8.231354
  H      -9.591005      5.500483      9.050298
  H     -11.287944      6.435190      7.481042
  H      -9.707508      3.943064      4.321581
  N      -2.784162      2.690034      3.491972
72
Coordinates from ORCA-job orca E -13783.003712200732
  N      -2.060808      1.043049      5.601920
  Mo     -3.621206      2.338136      5.101319
  N      -4.596106      1.493215      6.874800
  C      -4.339350      2.325653      8.048583
  C      -2.835715      2.529050      8.124358
  N      -2.342911      3.186140      6.865050
  C      -0.911853      2.835338      6.632614
  C      -0.808466      1.355538      6.240941
  C      -2.512406      4.674205      6.972448
  C      -3.062349      5.218972      5.673015
  N      -4.135431      4.326746      5.251340
  H       0.040968      1.208546      5.555070
  H      -0.652851      0.707308      7.118613
  H      -0.542854      3.467549      5.814918
  H      -0.322336      3.045437      7.539274
  H      -3.456091      6.237458      5.801727
  H      -2.284589      5.232650      4.889334
  H      -3.237177      4.886015      7.769121
  H      -1.555400      5.148841      7.235528
  H      -4.700442      1.803464      8.950688
  H      -4.881668      3.283938      7.974363
  H      -2.359943      1.545176      8.220337
  H      -2.553199      3.144541      8.992055
  C      -2.434264     -0.025639      4.942572
  N      -3.621606      0.204926      4.361382
  C      -4.371696     -0.679975      3.604930
  O      -5.216029     -0.276963      2.811456
  C      -4.135567     -2.148808      3.806011
  C      -4.229651     -3.003378      2.698052
  C      -4.035605     -4.374778      2.857826
  C      -3.763203     -4.914247      4.120648
  C      -3.697410     -4.055843      5.218477
  Br     -3.344990     -4.772857      6.953134
  C      -3.878371     -2.679973      5.081217
  C      -5.357659      4.817896      5.004412
  N      -5.748790      6.041198      5.285840
  C      -6.993199      6.395484      4.768044
  O      -7.512786      5.898894      3.759347
  C      -7.705430      7.465700      5.538884
  C      -8.836239      8.075448      4.979459
  C      -9.556728      9.021092      5.708298
  C      -9.164906      9.365294      7.007036
  C      -8.034365      8.751879      7.550341
  Br     -7.493276      9.201114      9.330927
  C      -7.296148      7.812176      6.836875
  C      -5.751393      1.679978      6.207479
  N      -6.657080      2.591492      6.541180
  C      -7.749370      2.786348      5.702954
  O      -7.878661      2.299472      4.573092
  C      -8.755900      3.760548      6.240112
  C      -8.724835      4.203527      7.573343
  C      -9.648453      5.149637      8.020409
  C     -10.601822      5.675857      7.143919
  C     -10.616933      5.230934      5.818163
  Br    -11.904367      5.961474      4.612025
  C      -9.714204      4.280101      5.355569
  H      -1.824173     -0.929167      4.804615
  H      -4.451518     -2.574333      1.719698
  H      -4.099566     -5.038601      1.993215
  H      -3.612678     -5.986764      4.249812
  H      -3.854382     -2.031409      5.957872
  H      -6.079816      4.126468      4.544311
  H      -9.138262      7.788846      3.971515
  H     -10.440612      9.490032      5.270918
  H      -9.729540     10.096478      7.587189
  H      -6.417119      7.333313      7.266511
  H      -6.031144      0.863189      5.513206
  H      -7.970008      3.793336      8.244456
  H      -9.629130      5.488935      9.058428
  H     -11.320565      6.423827      7.480857
  H      -9.707705      3.947887      4.318229
  N      -2.823552      2.667300      3.620344
72
Coordinates from ORCA-job orca E -13783.010821236778
  N      -2.038307      1.031027      5.600613
  Mo     -3.592090      2.346405      5.095695
  N      -4.613749      1.493604      6.880670
  C      -4.336846      2.328947      8.047439
  C      -2.829249      2.525912      8.111706
  N      -2.323869      3.190090      6.856820
  C      -0.891887      2.831738      6.624312
  C      -0.788487      1.348201      6.242089
  C      -2.491449      4.682271      6.966989
  C      -3.033739      5.232034      5.666806
  N      -4.111871      4.347392      5.249444
  H       0.065601      1.197599      5.562295
  H      -0.637135      0.706529      7.125490
  H      -0.525364      3.462784      5.804381
  H      -0.304048      3.049453      7.530332
  H      -3.422869      6.252975      5.793225
  H      -2.254188      5.240557      4.884189
  H      -3.217494      4.885548      7.764750
  H      -1.531797      5.145501      7.241804
  H      -4.689584      1.813906      8.957260
  H      -4.875117      3.291005      7.984356
  H      -2.350607      1.542768      8.200275
  H      -2.534721      3.140630      8.976261
  C      -2.425914     -0.032900      4.939101
  N      -3.614758      0.208937      4.368976
  C      -4.380139     -0.670910      3.616971
  O      -5.234133     -0.264616      2.838225
  C      -4.139191     -2.141300      3.814031
  C      -4.246337     -2.990723      2.703370
  C      -4.057385     -4.363187      2.856088
  C      -3.779029     -4.909407      4.114453
  C      -3.699276     -4.055354      5.214449
  Br     -3.341636     -4.783168      6.943896
  C      -3.872355     -2.678099      5.083991
  C      -5.332920      4.830317      4.989540
  N      -5.722430      6.055161      5.263624
  C      -6.962057      6.409760      4.734859
  O      -7.471008      5.925205      3.716986
  C      -7.687413      7.466813      5.515906
  C      -8.816768      8.077130      4.954702
  C      -9.549599      9.007579      5.690118
  C      -9.174577      9.333977      6.998119
  C      -8.047162      8.717414      7.543412
  Br     -7.531474      9.138776      9.340530
  C      -7.294037      7.795996      6.822679
  C      -5.778340      1.689748      6.230833
  N      -6.678692      2.599482      6.576858
  C      -7.766729      2.795013      5.725772
  O      -7.890186      2.301364      4.599576
  C      -8.776007      3.768867      6.260253
  C      -8.759659      4.203709      7.595444
  C      -9.695732      5.138228      8.040206
  C     -10.648460      5.659003      7.160105
  C     -10.646112      5.224067      5.831728
  Br    -11.932113      5.951811      4.618480
  C      -9.727403      4.289605      5.369168
  H      -1.827093     -0.945013      4.804604
  H      -4.477186     -2.557572      1.728853
  H      -4.131182     -5.024054      1.989818
  H      -3.634595     -5.983394      4.238223
  H      -3.838536     -2.033750      5.963579
  H      -6.037969      4.131335      4.511569
  H      -9.110821      7.799445      3.941920
  H     -10.432662      9.477795      5.252064
  H      -9.749645     10.052856      7.583596
  H      -6.416981      7.315720      7.255032
  H      -6.044348      0.902675      5.497277
  H      -8.005917      3.798360      8.270672
  H      -9.686373      5.474623      9.079432
  H     -11.376461      6.398298      7.496052
  H      -9.699738      3.974470      4.326608
  N      -2.815491      2.667342      3.683061
72
Coordinates from ORCA-job orca E -13783.016843065901
  N      -2.017270      1.020369      5.601944
  Mo     -3.564948      2.351341      5.091194
  N      -4.636667      1.491427      6.883670
  C      -4.337784      2.329353      8.042330
  C      -2.827656      2.520771      8.096682
  N      -2.312364      3.193372      6.848303
  C      -0.879364      2.832646      6.616018
  C      -0.771119      1.345410      6.245538
  C      -2.483063      4.687119      6.961216
  C      -3.021265      5.239001      5.659700
  N      -4.101531      4.357291      5.247797
  H       0.088067      1.192163      5.572796
  H      -0.622705      0.712532      7.135604
  H      -0.517773      3.461524      5.792322
  H      -0.293110      3.061554      7.520192
  H      -3.408743      6.260972      5.784170
  H      -2.241183      5.244210      4.877681
  H      -3.211325      4.879641      7.759320
  H      -1.523404      5.143377      7.247227
  H      -4.679420      1.821866      8.960603
  H      -4.872956      3.294273      7.990780
  H      -2.345766      1.538947      8.177490
  H      -2.523242      3.132854      8.959764
  C      -2.414804     -0.039473      4.939756
  N      -3.606494      0.209508      4.381311
  C      -4.383124     -0.665397      3.635990
  O      -5.249202     -0.254660      2.873300
  C      -4.136528     -2.136405      3.824405
  C      -4.252932     -2.978632      2.709761
  C      -4.068351     -4.351817      2.853534
  C      -3.787419     -4.906147      4.106753
  C      -3.697820     -4.058789      5.210338
  Br     -3.339848     -4.799245      6.934410
  C      -3.863761     -2.680661      5.088605
  C      -5.321035      4.830769      4.978389
  N      -5.711207      6.055969      5.247663
  C      -6.948120      6.410537      4.717816
  O      -7.446366      5.941267      3.689257
  C      -7.679402      7.457843      5.508455
  C      -8.807085      8.072489      4.949710
  C      -9.541227      8.996373      5.690623
  C      -9.172033      9.309657      7.002602
  C      -8.049943      8.684253      7.546564
  Br     -7.545860      9.082316      9.353426
  C      -7.292824      7.772465      6.819690
  C      -5.807864      1.694491      6.254467
  N      -6.704570      2.602823      6.612349
  C      -7.785439      2.796873      5.753428
  O      -7.908561      2.289625      4.632205
  C      -8.791453      3.780684      6.275017
  C      -8.782773      4.224025      7.605948
  C      -9.725640      5.155448      8.040050
  C     -10.679033      5.662738      7.153949
  C     -10.666786      5.220990      5.829284
  Br    -11.954108      5.933236      4.605899
  C      -9.738626      4.293061      5.375507
  H      -1.825645     -0.958634      4.810280
  H      -4.490308     -2.540028      1.739773
  H      -4.148663     -5.007712      1.984658
  H      -3.648645     -5.981132      4.223810
  H      -3.823483     -2.042280      5.971872
  H      -6.013433      4.125080      4.489820
  H      -9.100567      7.801065      3.935442
  H     -10.421812      9.471913      5.254435
  H      -9.747195     10.024826      7.591922
  H      -6.418284      7.287885      7.251390
  H      -6.057495      0.945082      5.477020
  H      -8.028796      3.829614      8.286600
  H      -9.720551      5.501834      9.075549
  H     -11.413227      6.398302      7.482497
  H      -9.699239      3.978057      4.333303
  N      -2.770726      2.682211      3.680839
72
Coordinates from ORCA-job orca E -13783.021687715913
  N      -1.987324      1.004972      5.613134
  Mo     -3.524390      2.353564      5.089987
  N      -4.658882      1.494356      6.891353
  C      -4.338591      2.341571      8.036621
  C      -2.828183      2.522746      8.086035
  N      -2.298066      3.194330      6.841527
  C      -0.863898      2.830181      6.619775
  C      -0.749015      1.339942      6.264303
  C      -2.470174      4.689620      6.953407
  C      -3.006767      5.242460      5.651429
  N      -4.086700      4.360934      5.243011
  H       0.118443      1.184380      5.603143
  H      -0.606757      0.717294      7.162257
  H      -0.501164      3.454087      5.793086
  H      -0.284044      3.070542      7.525053
  H      -3.393283      6.264830      5.776049
  H      -2.226859      5.246873      4.870016
  H      -3.201643      4.874260      7.750022
  H      -1.511000      5.139598      7.249661
  H      -4.669394      1.849719      8.967500
  H      -4.868566      3.309861      7.987380
  H      -2.348266      1.540752      8.168599
  H      -2.518509      3.136389      8.946361
  C      -2.393360     -0.048535      4.947969
  N      -3.582822      0.213657      4.392370
  C      -4.369287     -0.649046      3.645156
  O      -5.235977     -0.224389      2.890873
  C      -4.131732     -2.122615      3.821888
  C      -4.250377     -2.953451      2.699209
  C      -4.078389     -4.328903      2.831556
  C      -3.809352     -4.896455      4.080779
  C      -3.717829     -4.059916      5.191872
  Br     -3.377571     -4.819320      6.911148
  C      -3.870141     -2.679750      5.081856
  C      -5.309755      4.817243      4.968651
  N      -5.709476      6.040835      5.229153
  C      -6.950702      6.384916      4.707459
  O      -7.448554      5.910279      3.682268
  C      -7.683728      7.430476      5.500386
  C      -8.818299      8.037379      4.947609
  C      -9.546206      8.966784      5.686810
  C      -9.165414      9.292358      6.991980
  C      -8.040209      8.670029      7.531188
  Br     -7.523272      9.079762      9.332235
  C      -7.287908      7.754190      6.805781
  C      -5.837679      1.698001      6.287793
  N      -6.735409      2.600917      6.656813
  C      -7.810095      2.792255      5.792305
  O      -7.937489      2.272449      4.675878
  C      -8.811849      3.788097      6.298748
  C      -8.804128      4.247792      7.622907
  C      -9.747311      5.183951      8.044221
  C     -10.700882      5.678910      7.152121
  C     -10.686370      5.221437      5.833960
  Br    -11.974340      5.918487      4.600931
  C      -9.758269      4.288756      5.392048
  H      -1.815099     -0.975109      4.825732
  H      -4.480428     -2.505052      1.732479
  H      -4.159372     -4.976550      1.957239
  H      -3.681548     -5.973235      4.188949
  H      -3.828992     -2.050454      5.971141
  H      -5.993146      4.094976      4.489618
  H      -9.121375      7.756446      3.939067
  H     -10.430074      9.438978      5.254821
  H      -9.733130     10.014668      7.579031
  H      -6.409075      7.275320      7.233992
  H      -6.063174      0.983276      5.470907
  H      -8.050503      3.863235      8.308765
  H      -9.742276      5.544661      9.074334
  H     -11.437192      6.415441      7.471730
  H      -9.719471      3.959965      4.354317
  N      -2.700829      2.697903      3.684260
72
Coordinates from ORCA-job orca E -13783.025029739294
  N      -1.953727      0.988226      5.631654
  Mo     -3.476093      2.353535      5.091949
  N      -4.676634      1.498230      6.895245
  C      -4.337865      2.348963      8.032992
  C      -2.827373      2.517620      8.082032
  N      -2.282692      3.189737      6.842343
  C      -0.846335      2.824247      6.636560
  C      -0.725075      1.330945      6.295343
  C      -2.458577      4.686705      6.954781
  C      -2.994227      5.241171      5.652379
  N      -4.069848      4.356373      5.242123
  H       0.152369      1.172729      5.648202
  H      -0.592617      0.716869      7.200590
  H      -0.478403      3.442301      5.807891
  H      -0.275134      3.074308      7.544680
  H      -3.382270      6.262755      5.779388
  H      -2.213369      5.248744      4.872377
  H      -3.195327      4.863934      7.748047
  H      -1.501992      5.134945      7.260605
  H      -4.660904      1.869403      8.973404
  H      -4.862116      3.320680      7.986135
  H      -2.352604      1.533290      8.165434
  H      -2.515824      3.128660      8.943607
  C      -2.365455     -0.057546      4.958527
  N      -3.550637      0.221109      4.401147
  C      -4.346004     -0.624325      3.644808
  O      -5.207158     -0.180081      2.895396
  C      -4.124288     -2.101333      3.805715
  C      -4.240885     -2.917559      2.672193
  C      -4.085861     -4.296162      2.790573
  C      -3.836776     -4.880682      4.035935
  C      -3.747215     -4.058055      5.157356
  Br     -3.434879     -4.840865      6.871210
  C      -3.882141     -2.675108      5.061722
  C      -5.297881      4.793730      4.962354
  N      -5.710272      6.015367      5.208131
  C      -6.952867      6.345762      4.683185
  O      -7.442123      5.862915      3.657818
  C      -7.690843      7.397247      5.463424
  C      -8.824170      7.996784      4.900519
  C      -9.551344      8.938324      5.624470
  C      -9.171987      9.282659      6.925126
  C      -8.050136      8.664644      7.475468
  Br     -7.537492      9.096640      9.272516
  C      -7.297517      7.737794      6.764971
  C      -5.863904      1.703003      6.316813
  N      -6.762612      2.597049      6.703281
  C      -7.836279      2.796688      5.841704
  O      -7.976282      2.275896      4.726431
  C      -8.831156      3.799442      6.349599
  C      -8.814581      4.263706      7.671585
  C      -9.754249      5.201993      8.095873
  C     -10.714179      5.693703      7.209119
  C     -10.707922      5.231542      5.892940
  Br    -12.004541      5.924999      4.666084
  C      -9.783543      4.297161      5.447633
  H      -1.797778     -0.991330      4.843407
  H      -4.456636     -2.456219      1.708536
  H      -4.164634     -4.933065      1.908545
  H      -3.723003     -5.959847      4.133090
  H      -3.843078     -2.056854      5.958624
  H      -5.971979      4.054969      4.494595
  H      -9.126762      7.700990      3.896291
  H     -10.433145      9.406186      5.184265
  H      -9.737489     10.016195      7.499698
  H      -6.420138      7.264586      7.201797
  H      -6.069801      1.023338      5.464821
  H      -8.056682      3.881471      8.353624
  H      -9.741562      5.567092      9.124154
  H     -11.449355      6.429758      7.531640
  H      -9.753547      3.963246      4.411467
  N      -2.623489      2.712988      3.706072
72
Coordinates from ORCA-job orca E -13783.027581320765
  N      -1.921300      0.972591      5.656644
  Mo     -3.426601      2.350169      5.094714
  N      -4.691982      1.507529      6.894097
  C      -4.340739      2.358211      8.029231
  C      -2.829669      2.513625      8.082112
  N      -2.270231      3.184331      6.846645
  C      -0.830533      2.819289      6.661198
  C      -0.702934      1.322049      6.335301
  C      -2.452531      4.682811      6.955689
  C      -2.988511      5.234700      5.650699
  N      -4.056412      4.341726      5.237780
  H       0.185044      1.159778      5.703679
  H      -0.582617      0.716304      7.247770
  H      -0.454666      3.429103      5.830049
  H      -0.269214      3.079444      7.572586
  H      -3.380909      6.254467      5.779035
  H      -2.206338      5.246815      4.872220
  H      -3.195489      4.855485      7.744199
  H      -1.500312      5.135400      7.267531
  H      -4.660967      1.888128      8.975886
  H      -4.859743      3.332792      7.982606
  H      -2.363059      1.525670      8.167765
  H      -2.519070      3.120374      8.947081
  C      -2.334659     -0.066069      4.973239
  N      -3.514500      0.228707      4.410905
  C      -4.316597     -0.597271      3.641099
  O      -5.169003     -0.131093      2.894548
  C      -4.113244     -2.077547      3.784105
  C      -4.224115     -2.878431      2.639131
  C      -4.086983     -4.260156      2.743167
  C      -3.862062     -4.862161      3.984874
  C      -3.777738     -4.054214      5.117376
  Br     -3.498721     -4.860809      6.825651
  C      -3.894622     -2.668550      5.036517
  C      -5.290134      4.761713      4.955540
  N      -5.712334      5.982763      5.183561
  C      -6.956562      6.302037      4.655769
  O      -7.445660      5.800712      3.638936
  C      -7.697095      7.360217      5.423221
  C      -8.831160      7.950825      4.852616
  C      -9.555023      8.906562      5.561055
  C      -9.172241      9.273076      6.854666
  C      -8.051610      8.661231      7.414368
  Br     -7.536590      9.120648      9.203512
  C      -7.301429      7.721174      6.718657
  C      -5.889233      1.709814      6.338533
  N      -6.790119      2.591421      6.744662
  C      -7.868095      2.797818      5.893052
  O      -8.024353      2.277103      4.779468
  C      -8.852175      3.810748      6.403965
  C      -8.817651      4.286922      7.721320
  C      -9.749580      5.231423      8.149452
  C     -10.720810      5.716600      7.271310
  C     -10.732644      5.241783      5.959615
  Br    -12.046578      5.923443      4.744498
  C      -9.815683      4.301797      5.510432
  H      -1.776147     -1.006256      4.866507
  H      -4.421805     -2.403519      1.678246
  H      -4.161059     -4.885631      1.852687
  H      -3.762914     -5.943701      4.070625
  H      -3.860068     -2.061351      5.941095
  H      -5.959630      4.008709      4.503864
  H      -9.136130      7.637969      3.854365
  H     -10.436429      9.368500      5.114149
  H      -9.733884     10.019233      7.416509
  H      -6.423856      7.254750      7.162209
  H      -6.083470      1.061174      5.459425
  H      -8.051604      3.908959      8.396615
  H      -9.722284      5.606026      9.173998
  H     -11.451968      6.455062      7.597379
  H      -9.801843      3.955921      4.477837
  N      -2.542018      2.725430      3.733171
72
Coordinates from ORCA-job orca E -13783.029677850014
  N      -1.893482      0.957355      5.687146
  Mo     -3.382130      2.341102      5.098909
  N      -4.706884      1.519449      6.888589
  C      -4.350439      2.366710      8.025806
  C      -2.838385      2.510072      8.086410
  N      -2.264072      3.177571      6.854960
  C      -0.820291      2.814764      6.692392
  C      -0.685627      1.313294      6.381749
  C      -2.455513      4.677184      6.955156
  C      -2.992927      5.221597      5.645326
  N      -4.050207      4.315667      5.230230
  H       0.212708      1.146830      5.766038
  H      -0.578368      0.715315      7.300881
  H      -0.435427      3.415123      5.858543
  H      -0.269798      3.085553      7.607182
  H      -3.392953      6.238361      5.773065
  H      -2.209216      5.239132      4.868562
  H      -3.204516      4.847932      7.738471
  H      -1.508880      5.139548      7.268908
  H      -4.673391      1.902329      8.974780
  H      -4.864999      3.343535      7.978085
  H      -2.381505      1.517914      8.175126
  H      -2.530601      3.112025      8.955797
  C      -2.302971     -0.075277      4.991524
  N      -3.477290      0.232635      4.422140
  C      -4.282244     -0.573592      3.634850
  O      -5.124168     -0.085281      2.889968
  C      -4.094932     -2.056659      3.756946
  C      -4.195091     -2.840586      2.599332
  C      -4.072667     -4.225027      2.686881
  C      -3.873511     -4.845752      3.923953
  C      -3.799341     -4.054233      5.068905
  Br     -3.556182     -4.886387      6.770071
  C      -3.901483     -2.666278      5.004972
  C      -5.290885      4.719548      4.950134
  N      -5.722452      5.939570      5.161999
  C      -6.971038      6.245018      4.635093
  O      -7.456665      5.733665      3.621233
  C      -7.707332      7.319917      5.381654
  C      -8.835268      7.908163      4.796516
  C      -9.552443      8.884642      5.483387
  C      -9.169448      9.273792      6.770379
  C      -8.056290      8.662841      7.346205
  Br     -7.543813      9.150846      9.127944
  C      -7.311971      7.702878      6.671184
  C      -5.915429      1.716048      6.354233
  N      -6.817331      2.584046      6.782444
  C      -7.904134      2.798152      5.946397
  O      -8.085129      2.273100      4.838404
  C      -8.872335      3.823289      6.465486
  C      -8.808083      4.315046      7.776189
  C      -9.725033      5.270933      8.212059
  C     -10.711461      5.751696      7.348177
  C     -10.753180      5.260779      6.042692
  Br    -12.088214      5.934616      4.846665
  C      -9.851076      4.309488      5.586265
  H      -1.750520     -1.019965      4.893670
  H      -4.373119     -2.351039      1.641804
  H      -4.138338     -4.837635      1.786716
  H      -3.786490     -5.929435      3.996560
  H      -3.875219     -2.071163      5.917911
  H      -5.958998      3.954089      4.517976
  H      -9.140528      7.577360      3.804033
  H     -10.428697      9.344803      5.024534
  H      -9.725417     10.036921      7.314981
  H      -6.439597      7.238138      7.126752
  H      -6.108780      1.093467      5.456336
  H      -8.030005      3.940129      8.439661
  H      -9.673752      5.657950      9.231199
  H     -11.432100      6.497948      7.680452
  H      -9.860754      3.949818      4.558217
  N      -2.464785      2.732925      3.764816
72
Coordinates from ORCA-job orca E -13783.031514114195
  N      -1.873719      0.943156      5.724101
  Mo     -3.343685      2.329197      5.100996
  N      -4.724648      1.545461      6.877217
  C      -4.368391      2.390177      8.017270
  C      -2.855001      2.518686      8.090459
  N      -2.262285      3.175128      6.861910
  C      -0.815264      2.811240      6.726341
  C      -0.676528      1.304604      6.435117
  C      -2.459552      4.675957      6.942679
  C      -2.995171      5.205879      5.623974
  N      -4.042635      4.286078      5.210283
  H       0.231920      1.130180      5.836779
  H      -0.585244      0.716444      7.362175
  H      -0.418523      3.398224      5.888645
  H      -0.276763      3.094240      7.644375
  H      -3.401924      6.220562      5.745290
  H      -2.209048      5.223726      4.849858
  H      -3.214108      4.852396      7.719449
  H      -1.517798      5.149375      7.254129
  H      -4.701430      1.932381      8.966130
  H      -4.876024      3.370161      7.963538
  H      -2.411825      1.521059      8.186593
  H      -2.550151      3.118275      8.962568
  C      -2.274834     -0.085349      5.017671
  N      -3.442488      0.232508      4.436917
  C      -4.246450     -0.555116      3.630285
  O      -5.075915     -0.045810      2.884913
  C      -4.073680     -2.040323      3.732894
  C      -4.160119     -2.808705      2.563912
  C      -4.049850     -4.195214      2.636393
  C      -3.876748     -4.832641      3.868978
  C      -3.815684     -4.056228      5.025208
  Br     -3.608912     -4.911398      6.719389
  C      -3.905715     -2.666640      4.976772
  C      -5.288818      4.681637      4.935978
  N      -5.719008      5.904866      5.128530
  C      -6.972058      6.205052      4.607149
  O      -7.476198      5.663344      3.618334
  C      -7.704027      7.284569      5.350116
  C      -8.841522      7.861714      4.772300
  C      -9.549394      8.849179      5.453470
  C      -9.147928      9.259322      6.728283
  C      -8.026948      8.657538      7.298942
  Br     -7.491263      9.171841      9.065794
  C      -7.291314      7.687574      6.628317
  C      -5.944683      1.731851      6.362117
  N      -6.848129      2.586437      6.809872
  C      -7.947796      2.796897      5.991237
  O      -8.152777      2.259035      4.893661
  C      -8.900931      3.835885      6.512095
  C      -8.806104      4.352933      7.811380
  C      -9.711123      5.319396      8.249271
  C     -10.715841      5.785863      7.398344
  C     -10.787462      5.270477      6.103327
  Br    -12.147476      5.923021      4.924441
  C      -9.897398      4.308080      5.645626
  H      -1.726715     -1.033732      4.932259
  H      -4.317886     -2.306035      1.609509
  H      -4.104858     -4.795868      1.727402
  H      -3.799773     -5.917935      3.929521
  H      -3.889783     -2.082346      5.896947
  H      -5.961792      3.908915      4.526284
  H      -9.160077      7.514941      3.789415
  H     -10.432248      9.301345      4.999259
  H      -9.695983     10.032099      7.267594
  H      -6.411972      7.231080      7.078975
  H      -6.146067      1.125637      5.455599
  H      -8.013921      3.987917      8.463884
  H      -9.636147      5.725600      9.259532
  H     -11.428506      6.538936      7.732674
  H      -9.930196      3.927623      4.625432
  N      -2.390582      2.731956      3.795932
72
Coordinates from ORCA-job orca E -13783.033202041841
  N      -1.863321      0.928618      5.761688
  Mo     -3.321768      2.309352      5.105785
  N      -4.745131      1.565969      6.865457
  C      -4.393268      2.405595      8.011366
  C      -2.878997      2.523281      8.097555
  N      -2.271662      3.169782      6.872346
  C      -0.821374      2.808253      6.760388
  C      -0.676040      1.297603      6.486414
  C      -2.477542      4.670676      6.931227
  C      -3.014437      5.183553      5.604438
  N      -4.050611      4.246668      5.194368
  H       0.240937      1.117979      5.902940
  H      -0.597708      0.718511      7.420294
  H      -0.415781      3.383947      5.919154
  H      -0.294263      3.103596      7.680971
  H      -3.431474      6.194559      5.719107
  H      -2.227170      5.203615      4.831837
  H      -3.235097      4.852928      7.703816
  H      -1.540520      5.157628      7.236154
  H      -4.738440      1.949420      8.956637
  H      -4.895283      3.388081      7.953804
  H      -2.447530      1.520951      8.198858
  H      -2.576594      3.120765      8.972081
  C      -2.249530     -0.097490      5.044233
  N      -3.412574      0.222864      4.451891
  C      -4.209942     -0.549340      3.624168
  O      -5.029965     -0.022477      2.880026
  C      -4.041199     -2.035777      3.702876
  C      -4.110695     -2.785418      2.520779
  C      -4.001838     -4.173140      2.573234
  C      -3.847077     -4.829876      3.798149
  C      -3.802498     -4.071934      4.967560
  Br     -3.621599     -4.954046      6.650534
  C      -3.891207     -2.681589      4.939513
  C      -5.304545      4.633627      4.933793
  N      -5.737280      5.857051      5.115613
  C      -7.001491      6.142590      4.610458
  O      -7.510796      5.596198      3.627132
  C      -7.715009      7.249713      5.329865
  C      -8.848221      7.827185      4.743581
  C      -9.538217      8.842224      5.402565
  C      -9.123281      9.279865      6.663864
  C      -8.007795      8.677238      7.244712
  Br     -7.456790      9.227454      8.995553
  C      -7.289377      7.680208      6.595011
  C      -5.978097      1.737438      6.372374
  N      -6.882027      2.578276      6.842989
  C      -8.001574      2.780653      6.048511
  O      -8.239637      2.222703      4.968065
  C      -8.927853      3.844215      6.569011
  C      -8.790352      4.393053      7.851563
  C      -9.669388      5.383858      8.288224
  C     -10.688987      5.844468      7.451655
  C     -10.802404      5.298251      6.172083
  Br    -12.179214      5.945162      5.010332
  C      -9.939638      4.309752      5.716980
  H      -1.699539     -1.045727      4.969445
  H      -4.253929     -2.267734      1.571914
  H      -4.043675     -4.759172      1.653848
  H      -3.771583     -5.916222      3.842779
  H      -3.887956     -2.111036      5.868475
  H      -5.981550      3.853673      4.546830
  H      -9.177440      7.458848      3.771890
  H     -10.417579      9.294314      4.941170
  H      -9.657405     10.074569      7.185332
  H      -6.413904      7.223230      7.052951
  H      -6.196618      1.141323      5.464385
  H      -7.985385      4.032544      8.491140
  H      -9.561228      5.814661      9.285388
  H     -11.381253      6.617069      7.784954
  H     -10.003518      3.903937      4.707962
  N      -2.337159      2.725743      3.829965
72
Coordinates from ORCA-job orca E -13783.034816799973
  N      -1.863539      0.912814      5.804488
  Mo     -3.306329      2.289896      5.107537
  N      -4.769747      1.603656      6.847227
  C      -4.422746      2.440951      7.997078
  C      -2.908096      2.541867      8.101146
  N      -2.280790      3.169557      6.878969
  C      -0.829937      2.802264      6.793171
  C      -0.685431      1.286786      6.542145
  C      -2.484856      4.671243      6.907635
  C      -3.017595      5.163656      5.570155
  N      -4.049061      4.215144      5.168225
  H       0.239346      1.095642      5.975114
  H      -0.624175      0.720356      7.484950
  H      -0.411714      3.362790      5.947934
  H      -0.314758      3.110307      7.716193
  H      -3.439615      6.173731      5.671720
  H      -2.228097      5.176758      4.800190
  H      -3.243254      4.869145      7.675560
  H      -1.548457      5.164969      7.203853
  H      -4.787008      1.990051      8.937418
  H      -4.912986      3.428656      7.931145
  H      -2.492683      1.533682      8.212267
  H      -2.606455      3.140326      8.975349
  C      -2.233956     -0.113284      5.079816
  N      -3.389774      0.206842      4.470234
  C      -4.176530     -0.552719      3.621685
  O      -4.985287     -0.010860      2.875495
  C      -4.009768     -2.039975      3.679802
  C      -4.061360     -2.772018      2.485988
  C      -3.950883     -4.160273      2.519561
  C      -3.812163     -4.834728      3.736579
  C      -3.785069     -4.094169      4.917712
  Br     -3.626206     -5.001088      6.589432
  C      -3.875703     -2.703778      4.908877
  C      -5.308550      4.602130      4.925752
  N      -5.733802      5.829493      5.094798
  C      -7.009710      6.106331      4.611776
  O      -7.546924      5.530462      3.661316
  C      -7.709221      7.224428      5.328145
  C      -8.860881      7.784767      4.761408
  C      -9.535087      8.813043      5.416281
  C      -9.085825      9.280884      6.654730
  C      -7.952789      8.694424      7.217938
  Br     -7.355836      9.284545      8.940348
  C      -7.250023      7.684665      6.570794
  C      -6.012399      1.759581      6.373215
  N      -6.915058      2.593094      6.859589
  C      -8.054792      2.775543      6.086477
  O      -8.330566      2.173986      5.039353
  C      -8.963614      3.857503      6.599787
  C      -8.786797      4.447989      7.858829
  C      -9.650234      5.455621      8.287852
  C     -10.691713      5.892781      7.465955
  C     -10.843595      5.306205      6.208505
  Br    -12.247692      5.923790      5.063950
  C      -9.998025      4.299013      5.762302
  H      -1.682301     -1.061636      5.019635
  H      -4.191496     -2.240644      1.542786
  H      -3.978787     -4.732472      1.590956
  H      -3.735478     -5.921522      3.766241
  H      -3.885735     -2.146554      5.845779
  H      -5.993901      3.818974      4.562949
  H      -9.215683      7.393741      3.807688
  H     -10.428444      9.252152      4.969364
  H      -9.607284     10.086636      7.172178
  H      -6.360387      7.240706      7.014113
  H      -6.250059      1.163308      5.471399
  H      -7.964171      4.105249      8.485532
  H      -9.512186      5.918554      9.266794
  H     -11.371674      6.678654      7.793489
  H     -10.090771      3.860856      4.769209
  N      -2.286728      2.709834      3.860148
72
Coordinates from ORCA-job orca E -13783.036369887968
  N      -1.873287      0.895993      5.844664
  Mo     -3.308496      2.267694      5.114621
  N      -4.796291      1.635147      6.837017
  C      -4.450672      2.469338      7.990354
  C      -2.936453      2.556490      8.107321
  N      -2.295436      3.167473      6.887041
  C      -0.844986      2.795603      6.818449
  C      -0.701138      1.276659      6.588494
  C      -2.495911      4.669441      6.889251
  C      -3.029758      5.143206      5.545062
  N      -4.060782      4.186181      5.155563
  H       0.228445      1.075902      6.033043
  H      -0.651448      0.723145      7.539521
  H      -0.419429      3.344000      5.968934
  H      -0.337997      3.115417      7.741976
  H      -3.455749      6.152564      5.634690
  H      -2.241013      5.147986      4.774939
  H      -3.249572      4.883235      7.657595
  H      -1.556821      5.165463      7.173281
  H      -4.830386      2.020852      8.925289
  H      -4.929866      3.462020      7.920681
  H      -2.533433      1.543960      8.225349
  H      -2.632512      3.156336      8.979811
  C      -2.227074     -0.131400      5.114464
  N      -3.377871      0.182605      4.490648
  C      -4.151252     -0.567371      3.623106
  O      -4.954904     -0.013946      2.879279
  C      -3.976099     -2.054344      3.655114
  C      -4.012510     -2.763188      2.446957
  C      -3.889945     -4.150775      2.454110
  C      -3.753854     -4.847733      3.658395
  C      -3.741742     -4.130273      4.853927
  Br     -3.586169     -5.068612      6.508419
  C      -3.844859     -2.741045      4.871699
  C      -5.326310      4.573553      4.938558
  N      -5.744268      5.804289      5.097959
  C      -7.032836      6.070558      4.639604
  O      -7.595557      5.467753      3.721994
  C      -7.712192      7.210641      5.341122
  C      -8.879343      7.753838      4.789683
  C      -9.532155      8.805742      5.428255
  C      -9.045935      9.314821      6.636032
  C      -7.898077      8.744808      7.185737
  Br     -7.250842      9.391314      8.869583
  C      -7.216524      7.711703      6.553265
  C      -6.049198      1.769960      6.388604
  N      -6.951119      2.593738      6.894647
  C      -8.119597      2.738096      6.153283
  O      -8.430428      2.088844      5.145948
  C      -8.999998      3.855598      6.638361
  C      -8.781393      4.502920      7.862139
  C      -9.620243      5.541568      8.264805
  C     -10.676191      5.954934      7.449773
  C     -10.868490      5.312822      6.225723
  Br    -12.287780      5.903281      5.085317
  C     -10.049975      4.272326      5.807446
  H      -1.669288     -1.076829      5.064713
  H      -4.139786     -2.214660      1.513335
  H      -3.906008     -4.704710      1.514317
  H      -3.667541     -5.934081      3.667318
  H      -3.866129     -2.202579      5.819188
  H      -6.017746      3.787579      4.596446
  H      -9.262098      7.332147      3.860199
  H     -10.437358      9.231772      4.992738
  H      -9.550366     10.139526      7.140225
  H      -6.314574      7.281338      6.984928
  H      -6.305253      1.167935      5.496377
  H      -7.946977      4.178281      8.482497
  H      -9.450705      6.048351      9.216638
  H     -11.335877      6.765975      7.756300
  H     -10.174104      3.789327      4.838980
  N      -2.261360      2.693804      3.890910
72
Coordinates from ORCA-job orca E -13783.038473275627
  N      -1.862171      0.876098      5.891290
  Mo     -3.273098      2.251384      5.104166
  N      -4.827363      1.672514      6.793206
  C      -4.488518      2.495339      7.956817
  C      -2.975448      2.563088      8.103914
  N      -2.302457      3.162497      6.894339
  C      -0.850104      2.785667      6.862629
  C      -0.705006      1.262538      6.657519
  C      -2.503199      4.664583      6.879254
  C      -3.031198      5.125491      5.528642
  N      -4.054268      4.157142      5.138228
  H       0.238362      1.048804      6.127160
  H      -0.680843      0.723733      7.619726
  H      -0.404750      3.321457      6.014609
  H      -0.363589      3.116281      7.794303
  H      -3.465503      6.132019      5.609797
  H      -2.237780      5.129572      4.763861
  H      -3.260876      4.885173      7.642227
  H      -1.565969      5.164248      7.164406
  H      -4.891584      2.048337      8.882366
  H      -4.953478      3.494894      7.883928
  H      -2.587288      1.545416      8.231286
  H      -2.680413      3.160147      8.981104
  C      -2.202094     -0.153198      5.158003
  N      -3.332703      0.167637      4.496867
  C      -4.089027     -0.565553      3.599643
  O      -4.869410      0.007331      2.844182
  C      -3.929816     -2.054423      3.617164
  C      -3.947081     -2.747811      2.399311
  C      -3.837263     -4.137090      2.392814
  C      -3.732684     -4.850674      3.592153
  C      -3.739004     -4.148127      4.796875
  Br     -3.626864     -5.109020      6.444077
  C      -3.830182     -2.757804      4.828813
  C      -5.326597      4.535157      4.930107
  N      -5.750361      5.765016      5.078174
  C      -7.046535      6.016537      4.627220
  O      -7.618428      5.388155      3.731504
  C      -7.718638      7.174864      5.307749
  C      -8.894453      7.700025      4.755928
  C      -9.539569      8.771420      5.373479
  C      -9.036884      9.318064      6.561292
  C      -7.880058      8.765846      7.112390
  Br     -7.209304      9.464756      8.770732
  C      -7.205978      7.714035      6.499614
  C      -6.088612      1.794804      6.367068
  N      -6.985118      2.606021      6.909951
  C      -8.180503      2.742821      6.204165
  O      -8.542668      2.066775      5.226523
  C      -9.032883      3.877351      6.704056
  C      -8.768297      4.536505      7.913523
  C      -9.582034      5.589633      8.331826
  C     -10.657061      6.007086      7.545903
  C     -10.893910      5.354437      6.334254
  Br    -12.335231      5.956028      5.229508
  C     -10.102481      4.298270      5.901384
  H      -1.645012     -1.101249      5.129399
  H      -4.049932     -2.186642      1.469050
  H      -3.838942     -4.679384      1.445818
  H      -3.656570     -5.938363      3.590137
  H      -3.866860     -2.231139      5.782712
  H      -6.014013      3.741771      4.597161
  H      -9.289726      7.249483      3.842901
  H     -10.451659      9.183405      4.937487
  H      -9.535475     10.157992      7.049075
  H      -6.296605      7.298230      6.931663
  H      -6.356029      1.204590      5.466983
  H      -7.918576      4.209037      8.510423
  H      -9.377124      6.105377      9.272535
  H     -11.296007      6.830935      7.864126
  H     -10.260802      3.807189      4.941001
  N      -2.181292      2.701779      3.920509
72
Coordinates from ORCA-job orca E -13783.039844942581
  N      -1.860549      0.864266      5.909120
  Mo     -3.247416      2.243897      5.069344
  N      -4.850372      1.728035      6.726770
  C      -4.509768      2.538879      7.899152
  C      -2.998471      2.580479      8.070519
  N      -2.298663      3.166961      6.870634
  C      -0.849355      2.781338      6.864694
  C      -0.713065      1.255447      6.685318
  C      -2.491443      4.668496      6.846861
  C      -3.018346      5.120656      5.496929
  N      -4.041189      4.148454      5.109622
  H       0.235975      1.024376      6.174438
  H      -0.709749      0.734351      7.657273
  H      -0.388368      3.305741      6.018319
  H      -0.376869      3.119486      7.800318
  H      -3.456020      6.126037      5.570993
  H      -2.223953      5.120480      4.733742
  H      -3.246754      4.896378      7.609895
  H      -1.551593      5.163587      7.130832
  H      -4.936072      2.095110      8.815785
  H      -4.954351      3.547995      7.826725
  H      -2.625890      1.557866      8.204655
  H      -2.706702      3.175292      8.950648
  C      -2.194425     -0.173738      5.188487
  N      -3.305371      0.145906      4.494824
  C      -4.048131     -0.584410      3.588222
  O      -4.810748     -0.007837      2.819280
  C      -3.901063     -2.072036      3.615036
  C      -3.910802     -2.770356      2.403706
  C      -3.807984     -4.158006      2.405306
  C      -3.716770     -4.864793      3.605442
  C      -3.730643     -4.157024      4.802944
  Br     -3.635886     -5.107082      6.451297
  C      -3.816380     -2.768834      4.827199
  C      -5.316281      4.524481      4.909934
  N      -5.740630      5.750434      5.068428
  C      -7.035184      6.011373      4.618054
  O      -7.602740      5.400329      3.716645
  C      -7.705661      7.161499      5.309962
  C      -8.869149      7.708267      4.760503
  C      -9.515243      8.769710      5.387741
  C      -9.027370      9.282940      6.584023
  C      -7.881307      8.710080      7.132288
  Br     -7.228530      9.364852      8.803645
  C      -7.204991      7.669937      6.508754
  C      -6.119012      1.838963      6.323260
  N      -7.003408      2.642358      6.900348
  C      -8.209013      2.778719      6.212382
  O      -8.581251      2.106954      5.250805
  C      -9.059701      3.906019      6.722567
  C      -8.796102      4.544734      7.930233
  C      -9.613449      5.587160      8.360819
  C     -10.690955      6.014362      7.589032
  C     -10.924982      5.383760      6.377269
  Br    -12.368301      6.002328      5.288679
  C     -10.130604      4.338685      5.932059
  H      -1.637937     -1.123044      5.180768
  H      -4.002414     -2.214771      1.472262
  H      -3.804058     -4.704749      1.463783
  H      -3.645238     -5.950967      3.609538
  H      -3.859582     -2.238973      5.776313
  H      -5.999424      3.731630      4.572889
  H      -9.253538      7.283249      3.841745
  H     -10.418069      9.198871      4.953448
  H      -9.528211     10.112735      7.080351
  H      -6.304665      7.237773      6.938938
  H      -6.398213      1.254892      5.422748
  H      -7.945490      4.209582      8.517377
  H      -9.410345      6.086238      9.300561
  H     -11.332188      6.830087      7.917211
  H     -10.287700      3.865073      4.970744
  N      -2.144773      2.713344      3.911577
72
Coordinates from ORCA-job orca E -13783.040569474135
  N      -1.873796      0.858373      5.922694
  Mo     -3.252598      2.232785      5.054640
  N      -4.868370      1.775207      6.703807
  C      -4.514429      2.587558      7.872503
  C      -3.004696      2.609102      8.046059
  N      -2.298142      3.178130      6.845032
  C      -0.854500      2.787720      6.844178
  C      -0.727499      1.260041      6.689843
  C      -2.481981      4.680204      6.811540
  C      -3.028202      5.119339      5.468529
  N      -4.056397      4.141604      5.107757
  H       0.216720      1.015151      6.185457
  H      -0.727767      0.757786      7.668711
  H      -0.392364      3.301354      5.993074
  H      -0.382311      3.136084      7.774838
  H      -3.467755      6.124172      5.537963
  H      -2.246203      5.112042      4.693352
  H      -3.222792      4.918365      7.584342
  H      -1.535941      5.170249      7.078926
  H      -4.948534      2.153315      8.791016
  H      -4.943718      3.602280      7.799207
  H      -2.642240      1.584732      8.187929
  H      -2.707320      3.208558      8.921959
  C      -2.206238     -0.191478      5.222573
  N      -3.308708      0.116372      4.516890
  C      -4.043527     -0.618270      3.613205
  O      -4.796354     -0.042388      2.835709
  C      -3.884250     -2.104636      3.628209
  C      -3.875233     -2.788739      2.406302
  C      -3.755850     -4.175154      2.389098
  C      -3.667222     -4.895662      3.580788
  C      -3.700898     -4.202605      4.788712
  Br     -3.610551     -5.171481      6.426213
  C      -3.802816     -2.815500      4.831753
  C      -5.338812      4.509887      4.942478
  N      -5.758444      5.732738      5.117734
  C      -7.078434      5.987149      4.729203
  O      -7.700455      5.361090      3.869038
  C      -7.701459      7.154584      5.434672
  C      -8.895529      7.692922      4.941924
  C      -9.494485      8.771974      5.584996
  C      -8.927924      9.312324      6.741000
  C      -7.752272      8.746865      7.232132
  Br     -6.990643      9.439175      8.848413
  C      -7.122194      7.689391      6.591903
  C      -6.148016      1.858914      6.324977
  N      -7.031615      2.655284      6.901183
  C      -8.255339      2.725391      6.232738
  O      -8.643491      1.964736      5.337517
  C      -9.102403      3.893103      6.667622
  C      -8.808275      4.667066      7.812201
  C      -9.625313      5.745757      8.161984
  C     -10.736290      6.071449      7.372095
  C     -11.001991      5.303833      6.223348
  Br    -12.493046      5.779995      5.106891
  C     -10.204954      4.225673      5.859098
  H      -1.646423     -1.136543      5.225253
  H      -3.963801     -2.222381      1.481220
  H      -3.736253     -4.710599      1.439310
  H      -3.582599     -5.980995      3.570472
  H      -3.861819     -2.299272      5.789562
  H      -6.028157      3.710980      4.628448
  H      -9.341649      7.246543      4.054405
  H     -10.421641      9.194688      5.195830
  H      -9.390967     10.155959      7.250036
  H      -6.198092      7.264101      6.977376
  H      -6.424902      1.262608      5.446225
  H      -7.931896      4.411030      8.413857
  H      -9.395729      6.353868      9.052646
  H     -11.378491      6.912040      7.637250
  H     -10.387788      3.646161      4.945350
  N      -2.178823      2.712211      3.898814
72
Coordinates from ORCA-job orca E -13783.042259304179
  N      -1.868462      0.843890      5.982948
  Mo     -3.210528      2.228128      5.064784
  N      -4.883212      1.817681      6.680723
  C      -4.534534      2.618812      7.857680
  C      -3.028310      2.618207      8.059446
  N      -2.288797      3.174745      6.869501
  C      -0.848056      2.769728      6.906206
  C      -0.733359      1.239421      6.771632
  C      -2.455750      4.680851      6.816597
  C      -2.993490      5.110634      5.462703
  N      -4.021083      4.131583      5.108079
  H       0.220546      0.978118      6.290356
  H      -0.760634      0.747680      7.756321
  H      -0.360760      3.267562      6.058235
  H      -0.392880      3.123320      7.843576
  H      -3.429383      6.118235      5.518047
  H      -2.208132      5.089823      4.690775
  H      -3.194006      4.939928      7.585076
  H      -1.504243      5.163112      7.077891
  H      -4.991546      2.188730      8.766484
  H      -4.946663      3.640243      7.781537
  H      -2.685695      1.588196      8.212259
  H      -2.739887      3.214594      8.939994
  C      -2.196892     -0.207187      5.281548
  N      -3.275513      0.113568      4.541938
  C      -3.994813     -0.601063      3.605666
  O      -4.709702      0.004818      2.808423
  C      -3.858438     -2.093590      3.590655
  C      -3.813969     -2.745047      2.345068
  C      -3.717073     -4.137592      2.294001
  C      -3.688491     -4.897425      3.475078
  C      -3.757453     -4.236939      4.706616
  Br     -3.752349     -5.260793      6.328918
  C      -3.835602     -2.843422      4.783664
  C      -5.300495      4.500898      4.937051
  N      -5.721775      5.731079      5.081064
  C      -7.038091      5.963085      4.668904
  O      -7.647043      5.289076      3.830676
  C      -7.686553      7.144874      5.327945
  C      -8.914360      7.609999      4.826288
  C      -9.548319      8.689404      5.434440
  C      -8.980309      9.306825      6.562775
  C      -7.767998      8.818787      7.060612
  Br     -7.003965      9.619587      8.637582
  C      -7.105240      7.758559      6.456494
  C      -6.167313      1.893612      6.320901
  N      -7.050883      2.670465      6.926717
  C      -8.297552      2.738666      6.301342
  O      -8.715609      1.991290      5.412603
  C      -9.131292      3.894842      6.778177
  C      -8.825581      4.607841      7.942047
  C      -9.625269      5.679948      8.338299
  C     -10.725152      6.066366      7.573087
  C     -11.004328      5.357372      6.404950
  Br    -12.478542      5.918595      5.320322
  C     -10.230806      4.279430      5.997417
  H      -1.646352     -1.158141      5.300314
  H      -3.857056     -2.147972      1.428143
  H      -3.669752     -4.647031      1.325900
  H      -3.623480     -5.988132      3.438264
  H      -3.925687     -2.353209      5.757511
  H      -5.986760      3.700306      4.625665
  H      -9.364768      7.099215      3.964027
  H     -10.504667      9.050186      5.042023
  H      -9.473129     10.147396      7.047586
  H      -6.154934      7.390131      6.848514
  H      -6.451328      1.306095      5.440567
  H      -7.954868      4.308873      8.522658
  H      -9.387237      6.238299      9.243536
  H     -11.346851      6.910571      7.870395
  H     -10.426276      3.743975      5.069827
  N      -2.094114      2.714602      3.934959
72
Coordinates from ORCA-job orca E -13783.042500525436
  N      -1.870061      0.839243      5.975573
  Mo     -3.187843      2.230136      5.031387
  N      -4.903581      1.820213      6.615704
  C      -4.572109      2.604906      7.805749
  C      -3.070157      2.597253      8.035913
  N      -2.302875      3.161632      6.861975
  C      -0.860677      2.753286      6.930689
  C      -0.745984      1.224714      6.791492
  C      -2.463260      4.669663      6.812622
  C      -2.991307      5.105582      5.453125
  N      -4.011490      4.125287      5.085436
  H       0.221206      0.961526      6.328028
  H      -0.794472      0.727968      7.775013
  H      -0.351770      3.249870      6.094031
  H      -0.423366      3.102518      7.880001
  H      -3.429071      6.112317      5.509518
  H      -2.199477      5.089005      4.687577
  H      -3.204966      4.932404      7.577498
  H      -1.510037      5.147941      7.078405
  H      -5.045907      2.168465      8.701148
  H      -4.978096      3.629140      7.731751
  H      -2.737308      1.563936      8.189625
  H      -2.798436      3.183785      8.927329
  C      -2.191221     -0.208139      5.261095
  N      -3.254311      0.122921      4.501239
  C      -3.961081     -0.588473      3.552721
  O      -4.683580      0.013372      2.759470
  C      -3.840791     -2.076936      3.568364
  C      -3.838135     -2.767372      2.354410
  C      -3.742824     -4.153464      2.347122
  C      -3.668580     -4.865745      3.539437
  C      -3.693991     -4.165525      4.738829
  Br     -3.617078     -5.119969      6.376085
  C      -3.775724     -2.779708      4.772669
  C      -5.292014      4.491310      4.918462
  N      -5.722213      5.715199      5.080990
  C      -7.028573      5.958225      4.653006
  O      -7.613615      5.311832      3.783939
  C      -7.684900      7.134810      5.312791
  C      -8.866394      7.650418      4.769820
  C      -9.505539      8.733004      5.371169
  C      -8.993055      9.297459      6.537185
  C      -7.827278      8.758467      7.077820
  Br     -7.137742      9.488482      8.705274
  C      -7.156431      7.698241      6.478499
  C      -6.185912      1.894318      6.257103
  N      -7.075949      2.653476      6.881874
  C      -8.338037      2.730036      6.289230
  O      -8.803201      1.966394      5.420926
  C      -9.146130      3.893815      6.795605
  C      -8.806028      4.583991      7.963481
  C      -9.580775      5.660578      8.394243
  C     -10.688192      6.076384      7.658230
  C     -10.997938      5.394302      6.483667
  Br    -12.475130      6.003924      5.435196
  C     -10.250757      4.310457      6.042712
  H      -1.646366     -1.163482      5.284550
  H      -3.913165     -2.206775      1.428568
  H      -3.729440     -4.694323      1.404809
  H      -3.599898     -5.949780      3.535947
  H      -3.826656     -2.256613      5.722449
  H      -5.974801      3.696423      4.594328
  H      -9.271259      7.185057      3.877256
  H     -10.422550      9.136189      4.942972
  H      -9.492144     10.139914      7.017566
  H      -6.241895      7.291820      6.902703
  H      -6.467069      1.321713      5.352294
  H      -7.930104      4.261519      8.521188
  H      -9.317027      6.198599      9.303118
  H     -11.290290      6.925469      7.981195
  H     -10.467985      3.797539      5.109296
  N      -2.028083      2.734167      3.921520
72
Coordinates from ORCA-job orca E -13783.044062242128
  N      -1.876835      0.839690      5.999587
  Mo     -3.179608      2.226584      5.023407
  N      -4.902876      1.872358      6.600482
  C      -4.562709      2.666062      7.784075
  C      -3.061921      2.642720      8.017902
  N      -2.284966      3.182072      6.841439
  C      -0.849730      2.760506      6.920305
  C      -0.751730      1.228061      6.808530
  C      -2.427166      4.690750      6.772791
  C      -2.968456      5.112022      5.416214
  N      -3.995597      4.129560      5.071499
  H       0.210456      0.945596      6.351611
  H      -0.807649      0.749245      7.800227
  H      -0.334490      3.239943      6.077521
  H      -0.412752      3.121349      7.864919
  H      -3.404019      6.120016      5.464307
  H      -2.184910      5.084104      4.643331
  H      -3.152246      4.973459      7.545824
  H      -1.464076      5.158972      7.017167
  H      -5.047266      2.244543      8.682487
  H      -4.953336      3.695711      7.700523
  H      -2.740949      1.607941      8.184226
  H      -2.784114      3.238360      8.902076
  C      -2.200066     -0.218080      5.306030
  N      -3.253923      0.105257      4.531102
  C      -3.947967     -0.607409      3.575663
  O      -4.638566     -0.000358      2.758995
  C      -3.830000     -2.097932      3.579483
  C      -3.767960     -2.764419      2.347858
  C      -3.682232     -4.154601      2.318870
  C      -3.681860     -4.896851      3.507485
  C      -3.767818     -4.221099      4.724090
  Br     -3.802146     -5.219473      6.356414
  C      -3.836239     -2.830163      4.779355
  C      -5.278565      4.496728      4.924349
  N      -5.704144      5.720575      5.093910
  C      -7.016662      5.961458      4.680484
  O      -7.607602      5.318152      3.816657
  C      -7.672999      7.127909      5.354132
  C      -8.873543      7.629012      4.837500
  C      -9.510568      8.702777      5.451539
  C      -8.975916      9.273659      6.603787
  C      -7.791377      8.748536      7.118033
  Br     -7.068170      9.490853      8.725523
  C      -7.123647      7.696258      6.506217
  C      -6.192950      1.928025      6.262389
  N      -7.078378      2.683056      6.895479
  C      -8.348747      2.724509      6.319295
  O      -8.805076      1.935383      5.481299
  C      -9.166762      3.893103      6.794545
  C      -8.823637      4.631446      7.935154
  C      -9.610544      5.711349      8.334194
  C     -10.734565      6.081213      7.592942
  C     -11.048126      5.350132      6.445767
  Br    -12.550322      5.894897      5.388490
  C     -10.289598      4.262031      6.038015
  H      -1.660736     -1.176155      5.340071
  H      -3.788429     -2.180871      1.424862
  H      -3.621758     -4.676200      1.362453
  H      -3.625366     -5.985449      3.487437
  H      -3.940984     -2.328108      5.741156
  H      -5.966668      3.700297      4.612200
  H      -9.294200      7.160070      3.954895
  H     -10.442244      9.095327      5.043764
  H      -9.471763     10.110414      7.093595
  H      -6.193249      7.302098      6.908998
  H      -6.482525      1.345103      5.370681
  H      -7.934688      4.345433      8.496644
  H      -9.344220      6.287469      9.222326
  H     -11.346686      6.931260      7.890899
  H     -10.517726      3.704302      5.128965
  N      -2.044033      2.713762      3.907570
72
Coordinates from ORCA-job orca E -13783.043026561139
  N      -1.902361      0.843291      5.995082
  Mo     -3.182867      2.237553      5.004407
  N      -4.910006      1.918773      6.575429
  C      -4.562961      2.718709      7.753339
  C      -3.063079      2.673433      7.993274
  N      -2.269349      3.193020      6.819448
  C      -0.844052      2.747672      6.908151
  C      -0.772456      1.215253      6.802100
  C      -2.375511      4.703444      6.745632
  C      -2.920475      5.128686      5.392322
  N      -3.961394      4.159830      5.059466
  H       0.182488      0.916051      6.346834
  H      -0.837029      0.739493      7.792786
  H      -0.316682      3.214906      6.067300
  H      -0.405423      3.105298      7.851635
  H      -3.342766      6.141939      5.439799
  H      -2.142170      5.088286      4.615085
  H      -3.080726      5.009191      7.528086
  H      -1.396451      5.146170      6.971920
  H      -5.060317      2.312308      8.652188
  H      -4.934135      3.755254      7.660332
  H      -2.759911      1.635028      8.167928
  H      -2.779556      3.271418      8.874627
  C      -2.236119     -0.219103      5.312918
  N      -3.286071      0.103538      4.536021
  C      -3.980173     -0.617520      3.589504
  O      -4.675859     -0.019855      2.772434
  C      -3.857403     -2.106341      3.604766
  C      -3.830992     -2.786773      2.382353
  C      -3.730079     -4.174278      2.361063
  C      -3.674482     -4.899543      3.548483
  C      -3.723910     -4.209959      4.756318
  Br     -3.674737     -5.183156      6.387590
  C      -3.810438     -2.821942      4.803941
  C      -5.241492      4.538423      4.937462
  N      -5.657877      5.762046      5.127769
  C      -6.995488      5.981982      4.773906
  O      -7.629273      5.311719      3.949268
  C      -7.639522      7.135689      5.478924
  C      -8.926490      7.541084      5.073957
  C      -9.548773      8.599992      5.724752
  C      -8.906568      9.258736      6.798049
  C      -7.636363      8.829526      7.199105
  Br     -6.763744      9.695934      8.692420
  C      -6.987435      7.786428      6.553884
  C      -6.200551      1.955602      6.238112
  N      -7.099581      2.699035      6.855888
  C      -8.364516      2.692402      6.277853
  O      -8.781760      1.874913      5.462548
  C      -9.213255      3.859283      6.696733
  C      -8.912916      4.636106      7.821039
  C      -9.720972      5.721951      8.161039
  C     -10.820659      6.062797      7.373804
  C     -11.095906      5.288606      6.246572
  Br    -12.565672      5.790095      5.126407
  C     -10.323115      4.186979      5.902736
  H      -1.709433     -1.183348      5.348707
  H      -3.890779     -2.215503      1.460430
  H      -3.697330     -4.706543      1.411453
  H      -3.602034     -5.985514      3.534413
  H      -3.882110     -2.309441      5.761151
  H      -5.942765      3.746846      4.639890
  H      -9.431216      7.001746      4.252321
  H     -10.550546      8.914458      5.407682
  H      -9.387626     10.086477      7.315748
  H      -5.989254      7.467537      6.867637
  H      -6.480024      1.359439      5.353942
  H      -8.038611      4.378005      8.415893
  H      -9.488102      6.327199      9.037176
  H     -11.443808      6.921940      7.621838
  H     -10.535216      3.585268      5.017423
  N      -2.074663      2.696342      3.871519
72
Coordinates from ORCA-job orca E -13783.045294183055
  N      -1.900856      0.844365      6.003297
  Mo     -3.173800      2.243130      5.013957
  N      -4.901702      1.917821      6.592623
  C      -4.551307      2.722089      7.765702
  C      -3.051392      2.677053      8.002338
  N      -2.256713      3.194405      6.826911
  C      -0.833134      2.742270      6.918759
  C      -0.768115      1.208994      6.811251
  C      -2.355075      4.706318      6.754675
  C      -2.904486      5.134628      5.401645
  N      -3.945365      4.168378      5.066492
  H       0.185608      0.906397      6.353942
  H      -0.832874      0.730593      7.801053
  H      -0.301472      3.205660      6.077968
  H      -0.393174      3.098042      7.862735
  H      -3.324128      6.149142      5.450812
  H      -2.126560      5.094285      4.623830
  H      -3.053577      5.017827      7.540700
  H      -1.371775      5.143232      6.973023
  H      -5.044845      2.321074      8.668657
  H      -4.922159      3.758248      7.668152
  H      -2.749979      1.638784      8.180082
  H      -2.768719      3.276478      8.882628
  C      -2.243168     -0.217668      5.322547
  N      -3.290217      0.112072      4.544843
  C      -3.981973     -0.605423      3.590961
  O      -4.662808     -0.001017      2.763593
  C      -3.864010     -2.097031      3.596302
  C      -3.816510     -2.765843      2.362966
  C      -3.722012     -4.156333      2.329727
  C      -3.695268     -4.896654      3.516299
  C      -3.766048     -4.218996      4.735051
  Br     -3.758228     -5.213738      6.364796
  C      -3.845122     -2.827552      4.794580
  C      -5.223382      4.546594      4.932755
  N      -5.647287      5.770857      5.118194
  C      -6.968191      5.997589      4.720804
  O      -7.566370      5.340115      3.862760
  C      -7.634404      7.152503      5.404799
  C      -8.872819      7.602939      4.924106
  C      -9.522915      8.660433      5.553450
  C      -8.959878      9.268553      6.683428
  C      -7.735077      8.797584      7.158652
  Br     -6.970646      9.594612      8.729507
  C      -7.056417      7.758999      6.533342
  C      -6.191835      1.951477      6.254672
  N      -7.095546      2.688045      6.874183
  C      -8.369360      2.679055      6.318096
  O      -8.817406      1.839129      5.520498
  C      -9.211426      3.841487      6.762403
  C      -8.890801      4.604494      7.894224
  C      -9.692346      5.684590      8.262480
  C     -10.805757      6.034398      7.495285
  C     -11.099613      5.275816      6.359686
  Br    -12.582945      5.795688      5.264367
  C     -10.331828      4.180551      5.987880
  H      -1.725016     -1.186646      5.356577
  H      -3.854565     -2.182428      1.442060
  H      -3.672442     -4.678977      1.371566
  H      -3.628945     -5.985201      3.493039
  H      -3.934969     -2.324412      5.759066
  H      -5.920297      3.758087      4.620254
  H      -9.317511      7.101545      4.059547
  H     -10.487300      9.009060      5.176871
  H      -9.467776     10.089315      7.187923
  H      -6.095848      7.405166      6.906390
  H      -6.464562      1.357193      5.370515
  H      -8.005858      4.339660      8.472620
  H      -9.442497      6.279188      9.144176
  H     -11.422240      6.892152      7.762675
  H     -10.553764      3.595834      5.095101
  N      -2.062095      2.688238      3.865163
72
Coordinates from ORCA-job orca E -13783.045762939972
  N      -1.900245      0.849796      6.014360
  Mo     -3.144348      2.244073      4.983480
  N      -4.909737      1.952208      6.526177
  C      -4.578224      2.759057      7.701192
  C      -3.084174      2.706905      7.970709
  N      -2.257692      3.208330      6.808356
  C      -0.837840      2.745993      6.939021
  C      -0.779411      1.211136      6.844917
  C      -2.343155      4.720593      6.719039
  C      -2.889545      5.137920      5.359311
  N      -3.925091      4.164973      5.023495
  H       0.183582      0.897084      6.408675
  H      -0.867456      0.740545      7.838470
  H      -0.283028      3.196573      6.105913
  H      -0.416830      3.108690      7.890811
  H      -3.313750      6.151235      5.401013
  H      -2.106917      5.095806      4.586301
  H      -3.036549      5.049388      7.503434
  H      -1.354735      5.151735      6.928361
  H      -5.093417      2.367379      8.595307
  H      -4.938001      3.797275      7.588445
  H      -2.795645      1.667633      8.162786
  H      -2.816832      3.309467      8.852735
  C      -2.232921     -0.215202      5.332835
  N      -3.263172      0.114187      4.531818
  C      -3.929065     -0.602201      3.558298
  O      -4.585904      0.002342      2.712884
  C      -3.834428     -2.092366      3.585446
  C      -3.751125     -2.775231      2.366056
  C      -3.683022     -4.164928      2.358053
  C      -3.720804     -4.890626      3.555431
  C      -3.827822     -4.198771      4.759067
  Br     -3.914964     -5.173366      6.402593
  C      -3.880266     -2.808133      4.793550
  C      -5.208945      4.536735      4.907611
  N      -5.638966      5.755756      5.108908
  C      -6.962805      5.982796      4.721503
  O      -7.557090      5.342214      3.852823
  C      -7.632643      7.122173      5.425796
  C      -8.861896      7.590870      4.949174
  C      -9.510554      8.642035      5.590932
  C      -8.956935      9.222433      6.730970
  C      -7.742482      8.730867      7.204469
  Br     -6.988160      9.492022      8.788805
  C      -7.064252      7.700512      6.565046
  C      -6.202907      1.967820      6.202445
  N      -7.108584      2.685907      6.847265
  C      -8.395747      2.665021      6.324614
  O      -8.852233      1.835259      5.535803
  C      -9.223222      3.839450      6.768593
  C      -8.875985      4.612692      7.885420
  C      -9.665069      5.699335      8.260426
  C     -10.793012      6.044775      7.513820
  C     -11.111198      5.279126      6.391063
  Br    -12.614066      5.795314      5.321090
  C     -10.355035      4.177889      6.013265
  H      -1.721831     -1.187628      5.380087
  H      -3.741300     -2.203489      1.436498
  H      -3.606402     -4.698875      1.411475
  H      -3.677660     -5.978673      3.551447
  H      -4.003867     -2.293600      5.744642
  H      -5.907718      3.746654      4.599963
  H      -9.295061      7.116146      4.074855
  H     -10.465200      9.008284      5.214258
  H      -9.462256     10.041127      7.243348
  H      -6.109906      7.333632      6.934676
  H      -6.480936      1.377306      5.309108
  H      -7.981372      4.349253      8.447472
  H      -9.396146      6.299480      9.131730
  H     -11.403545      6.904083      7.787024
  H     -10.598846      3.584439      5.132351
  N      -2.006528      2.685670      3.844899
72
Coordinates from ORCA-job orca E -13783.046650782164
  N      -1.921063      0.852859      6.019039
  Mo     -3.137095      2.254587      4.973371
  N      -4.909491      1.994715      6.506613
  C      -4.573150      2.811309      7.673969
  C      -3.080853      2.740109      7.952976
  N      -2.236733      3.219258      6.794204
  C      -0.827993      2.731358      6.940167
  C      -0.797577      1.195606      6.852711
  C      -2.289167      4.731843      6.697116
  C      -2.837780      5.151294      5.338225
  N      -3.883122      4.189985      5.005923
  H       0.159881      0.862996      6.420454
  H      -0.898178      0.728459      7.846265
  H      -0.257340      3.166953      6.110042
  H      -0.408216      3.091511      7.892448
  H      -3.250712      6.169194      5.378112
  H      -2.056356      5.099084      4.564634
  H      -2.963249      5.083681      7.488309
  H      -1.287696      5.140143      6.888345
  H      -5.099858      2.438342      8.569355
  H      -4.914994      3.854390      7.546743
  H      -2.810160      1.697998      8.155914
  H      -2.811198      3.346538      8.831930
  C      -2.267360     -0.214787      5.347065
  N      -3.291065      0.119585      4.541334
  C      -3.950238     -0.599975      3.564799
  O      -4.592682      0.001835      2.706714
  C      -3.855329     -2.090634      3.596378
  C      -3.764541     -2.776784      2.378229
  C      -3.691138     -4.166594      2.371997
  C      -3.729016     -4.889048      3.569984
  C      -3.843018     -4.194154      4.772193
  Br     -3.927067     -5.163855      6.416427
  C      -3.902250     -2.803411      4.805048
  C      -5.163645      4.570874      4.898548
  N      -5.591149      5.789218      5.114065
  C      -6.917024      6.012354      4.732597
  O      -7.505633      5.380330      3.853854
  C      -7.597933      7.134754      5.452522
  C      -8.844622      7.578836      4.995004
  C      -9.508718      8.608199      5.654486
  C      -8.951259      9.193170      6.791873
  C      -7.717681      8.728237      7.244887
  Br     -6.956553      9.498126      8.822625
  C      -7.025658      7.718020      6.588837
  C      -6.204223      1.994501      6.188264
  N      -7.115205      2.704422      6.829065
  C      -8.406313      2.650593      6.324931
  O      -8.868922      1.771287      5.584726
  C      -9.250263      3.818043      6.752543
  C      -8.912862      4.608527      7.859118
  C      -9.717538      5.686701      8.220943
  C     -10.849285      6.009410      7.468184
  C     -11.157935      5.226753      6.356014
  Br    -12.665395      5.712737      5.275853
  C     -10.389500      4.129101      5.995256
  H      -1.773243     -1.195740      5.399184
  H      -3.752886     -2.206841      1.448366
  H      -3.608631     -4.702643      1.426251
  H      -3.680155     -5.977066      3.567493
  H      -4.029969     -2.286791      5.755332
  H      -5.868722      3.787910      4.588588
  H      -9.281100      7.098685      4.122884
  H     -10.478797      8.952813      5.294197
  H      -9.468964      9.993736      7.318669
  H      -6.056894      7.371011      6.942541
  H      -6.479347      1.396245      5.300494
  H      -8.014315      4.364381      8.424579
  H      -9.457801      6.297493      9.085891
  H     -11.470239      6.864431      7.728104
  H     -10.631345      3.518308      5.126793
  N      -2.017363      2.659793      3.811419
72
Coordinates from ORCA-job orca E -13783.047280333123
  N      -1.950268      0.855280      6.024649
  Mo     -3.138896      2.263124      4.975259
  N      -4.912581      2.025744      6.496374
  C      -4.567995      2.850874      7.656646
  C      -3.077457      2.767040      7.941618
  N      -2.219525      3.226761      6.787781
  C      -0.823308      2.713309      6.945772
  C      -0.822194      1.177277      6.859891
  C      -2.238946      4.738572      6.684913
  C      -2.794659      5.162001      5.328718
  N      -3.849315      4.213008      4.998055
  H       0.127212      0.828060      6.428299
  H      -0.932474      0.711255      7.851002
  H      -0.239222      3.135479      6.119634
  H      -0.402082      3.069110      7.898085
  H      -3.196838      6.184077      5.369288
  H      -2.014994      5.102053      4.554154
  H      -2.887612      5.113132      7.486722
  H      -1.224084      5.122812      6.852530
  H      -5.098707      2.494104      8.554568
  H      -4.897082      3.896341      7.518557
  H      -2.820703      1.723751      8.152537
  H      -2.806176      3.375892      8.818577
  C      -2.313264     -0.213158      5.359308
  N      -3.333640      0.127644      4.556160
  C      -3.982766     -0.594414      3.573065
  O      -4.616398      0.004604      2.706915
  C      -3.877348     -2.086294      3.601939
  C      -3.782634     -2.771276      2.380402
  C      -3.693337     -4.161471      2.367481
  C      -3.715825     -4.885058      3.562347
  C      -3.832616     -4.191635      4.768143
  Br     -3.889557     -5.162669      6.407960
  C      -3.909891     -2.800613      4.807928
  C      -5.127931      4.599912      4.899155
  N      -5.554968      5.819157      5.123418
  C      -6.881757      6.036480      4.743675
  O      -7.469707      5.396374      3.864532
  C      -7.569898      7.153644      5.468477
  C      -8.825640      7.577513      5.018584
  C      -9.501448      8.599261      5.684037
  C      -8.945637      9.197579      6.818779
  C      -7.700452      8.755102      7.262393
  Br     -6.939746      9.545098      8.833324
  C      -6.997717      7.752125      6.600972
  C      -6.211965      2.001658      6.190519
  N      -7.131507      2.692952      6.837884
  C      -8.427967      2.602405      6.360939
  O      -8.886026      1.695742      5.654337
  C      -9.281440      3.774613      6.762046
  C      -8.950347      4.591075      7.853674
  C      -9.756099      5.678760      8.190663
  C     -10.881514      5.985945      7.425300
  C     -11.186262      5.175486      6.329822
  Br    -12.683251      5.641658      5.230022
  C     -10.417676      4.066908      5.996236
  H      -1.836952     -1.201447      5.413313
  H      -3.780737     -2.199417      1.453071
  H      -3.608031     -4.695843      1.418683
  H      -3.652097     -5.973142      3.554864
  H      -4.036608     -2.285325      5.761506
  H      -5.837145      3.823552      4.582523
  H      -9.261095      7.084207      4.148764
  H     -10.480368      8.925633      5.331532
  H      -9.474234      9.989882      7.351554
  H      -6.021060      7.421244      6.947511
  H      -6.480382      1.398871      5.305786
  H      -8.053132      4.362499      8.425672
  H      -9.498531      6.312413      9.043547
  H     -11.499757      6.852538      7.660957
  H     -10.657907      3.435727      5.142217
  N      -2.050724      2.628755      3.776448
72
Coordinates from ORCA-job orca E -13783.047743310650
  N      -1.960661      0.873672      6.031144
  Mo     -3.103087      2.288023      4.949870
  N      -4.909219      2.084192      6.436549
  C      -4.571932      2.924857      7.588231
  C      -3.086811      2.828215      7.903690
  N      -2.192733      3.258669      6.763049
  C      -0.810799      2.714699      6.958623
  C      -0.840497      1.176418      6.886541
  C      -2.177799      4.769488      6.643746
  C      -2.722271      5.190052      5.280030
  N      -3.781796      4.251436      4.943173
  H       0.110213      0.801673      6.473829
  H      -0.979595      0.720428      7.881110
  H      -0.197700      3.115574      6.141505
  H      -0.403454      3.071299      7.917979
  H      -3.114349      6.216886      5.311259
  H      -1.935005      5.117970      4.513564
  H      -2.812718      5.170959      7.444174
  H      -1.152708      5.130089      6.802036
  H      -5.120040      2.590390      8.484054
  H      -4.885787      3.971718      7.427181
  H      -2.848546      1.784730      8.136396
  H      -2.828761      3.445729      8.778163
  C      -2.338580     -0.196923      5.375417
  N      -3.342930      0.151411      4.556138
  C      -3.972052     -0.576131      3.561209
  O      -4.573762      0.016056      2.669313
  C      -3.893871     -2.068309      3.619735
  C      -3.773088     -2.774186      2.414679
  C      -3.712378     -4.165493      2.428599
  C      -3.790132     -4.869356      3.634065
  C      -3.932605     -4.154862      4.822453
  Br     -4.066615     -5.098791      6.475519
  C      -3.982080     -2.762337      4.835546
  C      -5.060562      4.637689      4.850230
  N      -5.494911      5.850050      5.096897
  C      -6.832573      6.055099      4.743483
  O      -7.427183      5.430808      3.855134
  C      -7.527983      7.137067      5.511400
  C      -8.811380      7.530201      5.108258
  C      -9.499301      8.506776      5.821762
  C      -8.926868      9.092658      6.955874
  C      -7.652474      8.684245      7.350384
  Br     -6.868635      9.458736      8.917987
  C      -6.938516      7.725309      6.641954
  C      -6.205323      2.038318      6.129028
  N      -7.130970      2.718820      6.771149
  C      -8.427004      2.603102      6.307519
  O      -8.883615      1.665266      5.639779
  C      -9.298533      3.760865      6.704049
  C      -8.972219      4.585967      7.788784
  C      -9.801899      5.649670      8.132610
  C     -10.947829      5.924743      7.379500
  C     -11.245630      5.108984      6.288948
  Br    -12.773751      5.530303      5.206718
  C     -10.451139      4.023544      5.949120
  H      -1.884753     -1.195872      5.446633
  H      -3.729215     -2.217379      1.478652
  H      -3.607473     -4.715989      1.492867
  H      -3.749644     -5.958382      3.647543
  H      -4.131454     -2.229986      5.774420
  H      -5.771626      3.860924      4.533434
  H      -9.259427      7.043428      4.238914
  H     -10.501402      8.806204      5.507954
  H      -9.464667      9.847689      7.526352
  H      -5.940480      7.418388      6.951378
  H      -6.462980      1.433108      5.245051
  H      -8.060628      4.381252      8.351675
  H      -9.549456      6.287533      8.981724
  H     -11.587920      6.771219      7.620250
  H     -10.688156      3.385450      5.100834
  N      -2.021167      2.600260      3.725190
72
Coordinates from ORCA-job orca E -13783.048270963240
  N      -1.980151      0.870640      6.042158
  Mo     -3.098601      2.283269      4.944903
  N      -4.921663      2.105611      6.387260
  C      -4.591240      2.940653      7.545997
  C      -3.112409      2.836541      7.885626
  N      -2.197587      3.257883      6.760428
  C      -0.824116      2.703412      6.978498
  C      -0.867469      1.166609      6.909209
  C      -2.172315      4.766149      6.634299
  C      -2.716307      5.185239      5.270935
  N      -3.774416      4.246880      4.926887
  H       0.083421      0.782470      6.509522
  H      -1.023198      0.716551      7.901959
  H      -0.195093      3.097307      6.171416
  H      -0.428287      3.058153      7.942481
  H      -3.110148      6.211159      5.301151
  H      -1.925599      5.115006      4.508358
  H      -2.798766      5.176207      7.437151
  H      -1.143736      5.120357      6.785559
  H      -5.154222      2.606993      8.432230
  H      -4.897318      3.989438      7.383564
  H      -2.884374      1.791992      8.123404
  H      -2.865282      3.452757      8.764230
  C      -2.357474     -0.199875      5.387033
  N      -3.353693      0.149445      4.557547
  C      -3.955094     -0.577035      3.543669
  O      -4.536498      0.014685      2.639669
  C      -3.874315     -2.068626      3.604646
  C      -3.716347     -2.775394      2.405306
  C      -3.649057     -4.165302      2.423681
  C      -3.757695     -4.866808      3.627231
  C      -3.937908     -4.151486      4.809045
  Br     -4.115172     -5.092354      6.458536
  C      -3.994755     -2.760700      4.817928
  C      -5.053231      4.635137      4.837469
  N      -5.484985      5.846132      5.091921
  C      -6.816137      6.064672      4.728571
  O      -7.402383      5.456788      3.829820
  C      -7.511885      7.145134      5.498903
  C      -8.791849      7.543745      5.092949
  C      -9.479263      8.522369      5.806110
  C      -8.909485      9.106355      6.941373
  C      -7.637996      8.692050      7.338625
  Br     -6.856275      9.465426      8.907755
  C      -6.925588      7.729975      6.631133
  C      -6.225926      2.043741      6.108422
  N      -7.140876      2.712225      6.782229
  C      -8.451442      2.578667      6.356693
  O      -8.925277      1.620489      5.731929
  C      -9.313484      3.749076      6.744694
  C      -8.971824      4.589371      7.811139
  C      -9.797678      5.656861      8.154215
  C     -10.951941      5.924328      7.415679
  C     -11.263536      5.096009      6.340832
  Br    -12.807538      5.502537      5.279441
  C     -10.475429      4.003370      6.004058
  H      -1.911539     -1.200709      5.464796
  H      -3.647903     -2.220664      1.470235
  H      -3.514923     -4.716563      1.492898
  H      -3.712028     -5.954449      3.644073
  H      -4.173909     -2.227753      5.750446
  H      -5.762725      3.864217      4.509387
  H      -9.235279      7.060372      4.221642
  H     -10.478503      8.827231      5.490339
  H      -9.446997      9.863866      7.511159
  H      -5.929018      7.419598      6.941595
  H      -6.498767      1.442253      5.223776
  H      -8.054920      4.389205      8.362850
  H      -9.536720      6.302958      8.990633
  H     -11.589942      6.772970      7.656230
  H     -10.725667      3.352236      5.168304
  N      -2.033141      2.587262      3.708175
72
Coordinates from ORCA-job orca E -13783.048738189798
  N      -1.982103      0.878107      6.037412
  Mo     -3.093044      2.297929      4.953305
  N      -4.916871      2.105594      6.369237
  C      -4.590266      2.934220      7.534517
  C      -3.112409      2.836429      7.883575
  N      -2.187740      3.263255      6.767620
  C      -0.818150      2.699658      6.988557
  C      -0.870630      1.163811      6.909928
  C      -2.159058      4.770916      6.648836
  C      -2.696441      5.199667      5.286631
  N      -3.754699      4.268780      4.928637
  H       0.080016      0.775551      6.512798
  H      -1.033598      0.711896      7.900347
  H      -0.181601      3.095776      6.188458
  H      -0.425145      3.044274      7.957416
  H      -3.087709      6.226416      5.320290
  H      -1.901263      5.133381      4.528018
  H      -2.786488      5.177555      7.452668
  H      -1.129896      5.121592      6.805401
  H      -5.153214      2.590416      8.416526
  H      -4.904892      3.981587      7.378589
  H      -2.880610      1.792889      8.122372
  H      -2.877549      3.451028      8.766596
  C      -2.372376     -0.189123      5.383628
  N      -3.370766      0.166259      4.558054
  C      -3.959488     -0.561040      3.534777
  O      -4.525856      0.026966      2.620102
  C      -3.884196     -2.053391      3.604773
  C      -3.707515     -2.766978      2.412084
  C      -3.648432     -4.157450      2.438697
  C      -3.783932     -4.852578      3.643599
  C      -3.982456     -4.130197      4.818260
  Br     -4.196897     -5.062978      6.468586
  C      -4.031299     -2.738769      4.819137
  C      -5.029751      4.659052      4.820280
  N      -5.465869      5.867729      5.077803
  C      -6.786702      6.095638      4.690947
  O      -7.356186      5.501979      3.775031
  C      -7.498573      7.161994      5.466804
  C      -8.777273      7.558125      5.051970
  C      -9.478984      8.522028      5.770201
  C      -8.925217      9.094996      6.918019
  C      -7.655563      8.682346      7.323730
  Br     -6.895959      9.439907      8.910659
  C      -6.929575      7.733755      6.612687
  C      -6.220746      2.033217      6.090627
  N      -7.137081      2.689282      6.776642
  C      -8.450644      2.554412      6.356862
  O      -8.921055      1.610998      5.718551
  C      -9.311488      3.720817      6.758829
  C      -8.956147      4.561538      7.823602
  C      -9.778534      5.628109      8.181142
  C     -10.944108      5.893464      7.460020
  C     -11.271211      5.062692      6.387533
  Br    -12.836044      5.460284      5.355077
  C     -10.485549      3.971481      6.035245
  H      -1.933424     -1.193090      5.459764
  H      -3.619112     -2.217563      1.475326
  H      -3.500303     -4.714283      1.513337
  H      -3.745076     -5.940581      3.666877
  H      -4.224413     -2.199537      5.745402
  H      -5.730500      3.891473      4.470245
  H      -9.205908      7.085271      4.169504
  H     -10.476216      8.826846      5.447927
  H      -9.473605      9.842016      7.491401
  H      -5.934576      7.424332      6.930087
  H      -6.487704      1.437959      5.198079
  H      -8.030075      4.364274      8.361411
  H      -9.505000      6.278036      9.014111
  H     -11.580498      6.740789      7.713339
  H     -10.747298      3.318873      5.200553
  N      -2.060355      2.584206      3.682955
72
Coordinates from ORCA-job orca E -13783.049143232654
  N      -1.991406      0.888036      6.040907
  Mo     -3.088489      2.307558      4.954071
  N      -4.925820      2.123721      6.314765
  C      -4.605190      2.955974      7.482626
  C      -3.130852      2.867591      7.854645
  N      -2.183515      3.285238      6.752749
  C      -0.821359      2.709420      6.991573
  C      -0.886853      1.171238      6.923064
  C      -2.147200      4.792581      6.620046
  C      -2.681067      5.214697      5.254038
  N      -3.742306      4.285900      4.900233
  H       0.064655      0.769011      6.540719
  H      -1.065707      0.731752      7.917668
  H      -0.171541      3.096926      6.196119
  H      -0.436097      3.055147      7.964950
  H      -3.069164      6.243529      5.280350
  H      -1.885920      5.143216      4.495025
  H      -2.773456      5.207534      7.420444
  H      -1.117228      5.140256      6.776528
  H      -5.175107      2.607709      8.360287
  H      -4.928517      4.000190      7.324270
  H      -2.898245      1.828129      8.110928
  H      -2.918055      3.491713      8.736699
  C      -2.396028     -0.180269      5.399502
  N      -3.397599      0.174538      4.576021
  C      -3.959702     -0.560331      3.541203
  O      -4.500918      0.017355      2.607121
  C      -3.878551     -2.053244      3.622269
  C      -3.651612     -2.770555      2.438658
  C      -3.592680     -4.162102      2.470948
  C      -3.779542     -4.854843      3.671867
  C      -4.027447     -4.128631      4.836989
  Br     -4.314263     -5.060311      6.479535
  C      -4.074970     -2.735492      4.832855
  C      -5.017883      4.673375      4.792702
  N      -5.451541      5.882160      5.054397
  C      -6.774704      6.115719      4.675866
  O      -7.355814      5.532197      3.756316
  C      -7.481290      7.167535      5.479069
  C      -8.758587      7.579495      5.079100
  C      -9.452296      8.531542      5.821541
  C      -8.895112      9.072905      6.980296
  C      -7.628985      8.641604      7.371722
  Br     -6.865808      9.350983      8.976463
  C      -6.908913      7.707692      6.635878
  C      -6.233052      2.025624      6.050593
  N      -7.146058      2.667400      6.750413
  C      -8.469611      2.517655      6.353561
  O      -8.946938      1.562078      5.737341
  C      -9.322035      3.695398      6.749623
  C      -8.955649      4.546214      7.802574
  C      -9.771840      5.620140      8.160734
  C     -10.943775      5.881045      7.453893
  C     -11.281631      5.040728      6.391754
  Br    -12.856530      5.430271      5.381946
  C     -10.501389      3.943433      6.037175
  H      -1.967307     -1.188687      5.483529
  H      -3.525536     -2.223627      1.503358
  H      -3.405699     -4.722044      1.552589
  H      -3.742725     -5.944081      3.699311
  H      -4.305963     -2.192308      5.750117
  H      -5.717916      3.898729      4.445116
  H      -9.187352      7.133900      4.186047
  H     -10.445707      8.853462      5.509865
  H      -9.437686      9.810770      7.572658
  H      -5.917971      7.382552      6.943557
  H      -6.498989      1.433906      5.161730
  H      -8.026712      4.350446      8.331396
  H      -9.489628      6.280172      8.983215
  H     -11.576700      6.732170      7.710909
  H     -10.769626      3.286923      5.208576
  N      -2.106187      2.553649      3.637407
72
Coordinates from ORCA-job orca E -13783.049679971800
  N      -1.978913      0.897852      6.031943
  Mo     -3.075611      2.323858      4.955122
  N      -4.917796      2.131144      6.266746
  C      -4.605182      2.950040      7.448073
  C      -3.134383      2.863909      7.840130
  N      -2.171163      3.291856      6.754837
  C      -0.811697      2.713021      6.998069
  C      -0.879037      1.176945      6.919963
  C      -2.133317      4.799377      6.632993
  C      -2.659575      5.230805      5.268228
  N      -3.724092      4.308664      4.909221
  H       0.073531      0.775398      6.543410
  H      -1.064071      0.735823      7.910835
  H      -0.156866      3.106614      6.210913
  H      -0.431646      3.049268      7.976015
  H      -3.043721      6.260755      5.298541
  H      -1.864369      5.161859      4.508933
  H      -2.766938      5.207377      7.431024
  H      -1.104943      5.145838      6.802265
  H      -5.183836      2.585335      8.313048
  H      -4.932738      3.994884      7.301564
  H      -2.900283      1.825330      8.097927
  H      -2.940060      3.486046      8.727935
  C      -2.393978     -0.169482      5.396088
  N      -3.399749      0.186421      4.576789
  C      -3.953463     -0.552475      3.539137
  O      -4.491963      0.020295      2.600031
  C      -3.885400     -2.046056      3.634281
  C      -3.649846     -2.774451      2.460392
  C      -3.608668     -4.166884      2.503170
  C      -3.823334     -4.849609      3.704291
  C      -4.079217     -4.111937      4.859533
  Br     -4.405286     -5.030328      6.500965
  C      -4.107821     -2.717592      4.845418
  C      -4.997332      4.698971      4.797265
  N      -5.431003      5.907160      5.062584
  C      -6.753150      6.140182      4.679957
  O      -7.331828      5.557965      3.755919
  C      -7.463551      7.189680      5.485280
  C      -8.746130      7.591609      5.089040
  C      -9.444637      8.537987      5.834975
  C      -8.886740      9.083783      6.993904
  C      -7.614541      8.664553      7.380168
  Br     -6.848850      9.381048      8.984596
  C      -6.889513      7.735874      6.641484
  C      -6.223723      2.026388      5.999272
  N      -7.137704      2.656833      6.706325
  C      -8.462396      2.505452      6.309195
  O      -8.933929      1.551915      5.690737
  C      -9.320189      3.669567      6.722611
  C      -8.937829      4.529050      7.764628
  C      -9.762171      5.588699      8.139949
  C     -10.963491      5.821746      7.465399
  C     -11.318357      4.971743      6.414154
  Br    -12.936504      5.320795      5.452246
  C     -10.525417      3.893367      6.039348
  H      -1.968669     -1.179200      5.476116
  H      -3.503990     -2.235762      1.523725
  H      -3.415024     -4.735983      1.592608
  H      -3.801892     -5.939611      3.739525
  H      -4.344573     -2.164428      5.754587
  H      -5.694111      3.924191      4.443522
  H      -9.177231      7.140561      4.196060
  H     -10.443119      8.850817      5.527511
  H      -9.433759      9.815377      7.590176
  H      -5.894776      7.418478      6.946445
  H      -6.485467      1.439386      5.104945
  H      -7.988547      4.353449      8.270549
  H      -9.466634      6.258026      8.952347
  H     -11.603939      6.660222      7.738586
  H     -10.805620      3.230864      5.219942
  N      -2.131130      2.563654      3.608497
72
Coordinates from ORCA-job orca E -13783.050534286775
  N      -1.948189      0.911753      5.992481
  Mo     -3.079727      2.345479      4.957099
  N      -4.897727      2.120206      6.225614
  C      -4.588247      2.915631      7.426954
  C      -3.115169      2.837412      7.823524
  N      -2.151434      3.295474      6.750198
  C      -0.786595      2.724285      6.971864
  C      -0.842892      1.190720      6.872586
  C      -2.120995      4.804608      6.656116
  C      -2.645543      5.251750      5.297140
  N      -3.719832      4.340907      4.939842
  H       0.109808      0.801886      6.486690
  H      -1.015694      0.737708      7.858886
  H      -0.144248      3.136288      6.185263
  H      -0.397947      3.046851      7.950049
  H      -3.021133      6.284206      5.338247
  H      -1.857363      5.186532      4.530322
  H      -2.766437      5.194307      7.453768
  H      -1.096600      5.154132      6.842326
  H      -5.166361      2.518897      8.277269
  H      -4.926419      3.960488      7.308654
  H      -2.868814      1.799687      8.070966
  H      -2.936196      3.452329      8.719815
  C      -2.380210     -0.157224      5.368585
  N      -3.408083      0.194484      4.575935
  C      -3.977534     -0.555690      3.555596
  O      -4.537831      0.001350      2.619590
  C      -3.912114     -2.048391      3.671557
  C      -3.679322     -2.792924      2.508455
  C      -3.647552     -4.183938      2.568907
  C      -3.872554     -4.849776      3.775914
  C      -4.125037     -4.095860      4.920519
  Br     -4.467663     -4.991494      6.568305
  C      -4.140633     -2.702471      4.889444
  C      -4.987237      4.743558      4.824403
  N      -5.418868      5.950657      5.100709
  C      -6.736499      6.184564      4.709156
  O      -7.300134      5.618080      3.768239
  C      -7.464084      7.216303      5.521781
  C      -8.753276      7.601077      5.125961
  C      -9.471264      8.523832      5.879756
  C      -8.922628      9.067039      7.046114
  C      -7.641929      8.669079      7.430497
  Br     -6.885928      9.385103      9.043173
  C      -6.899050      7.760210      6.685717
  C      -6.200010      2.018010      5.935440
  N      -7.122287      2.638019      6.637459
  C      -8.442995      2.501746      6.218746
  O      -8.905512      1.557317      5.575247
  C      -9.300199      3.657062      6.652113
  C      -8.909792      4.513109      7.693918
  C      -9.735950      5.565378      8.082735
  C     -10.949546      5.791555      7.426240
  C     -11.313650      4.944064      6.376089
  Br    -12.953480      5.279761      5.445266
  C     -10.516226      3.876920      5.985038
  H      -1.948331     -1.165473      5.431642
  H      -3.528002     -2.267497      1.565978
  H      -3.454908     -4.766494      1.667471
  H      -3.860889     -5.938439      3.824197
  H      -4.371880     -2.135051      5.790431
  H      -5.683138      3.977141      4.462986
  H      -9.180725      7.149910      4.227500
  H     -10.477629      8.819230      5.573624
  H      -9.483081      9.781253      7.647702
  H      -5.897251      7.458886      6.989932
  H      -6.452214      1.435443      5.030611
  H      -7.953400      4.341397      8.189141
  H      -9.435248      6.232086      8.894429
  H     -11.591239      6.622793      7.714411
  H     -10.802981      3.217110      5.167827
  N      -2.209146      2.579966      3.561852
72
Coordinates from ORCA-job orca E -13783.051496481583
  N      -1.927640      0.914199      5.959402
  Mo     -3.099011      2.350039      4.953430
  N      -4.901702      2.114201      6.166833
  C      -4.597312      2.889905      7.385864
  C      -3.123737      2.813786      7.794427
  N      -2.151501      3.293966      6.736150
  C      -0.781424      2.731507      6.949065
  C      -0.821943      1.198473      6.837518
  C      -2.127096      4.805340      6.662861
  C      -2.655069      5.258123      5.307424
  N      -3.741098      4.355193      4.961512
  H       0.136100      0.820750      6.449029
  H      -0.987556      0.735870      7.823351
  H      -0.147117      3.156653      6.161108
  H      -0.390085      3.049752      7.928324
  H      -3.021302      6.294345      5.353492
  H      -1.875250      5.190227      4.532285
  H      -2.780825      5.184325      7.459167
  H      -1.105659      5.156794      6.859251
  H      -5.182295      2.469074      8.220992
  H      -4.935452      3.936128      7.288940
  H      -2.871674      1.775930      8.036485
  H      -2.963265      3.424129      8.697321
  C      -2.370449     -0.161054      5.351893
  N      -3.417087      0.180752      4.584016
  C      -4.002189     -0.584274      3.585904
  O      -4.588693     -0.047844      2.653768
  C      -3.913561     -2.075386      3.711548
  C      -3.685864     -2.826284      2.551079
  C      -3.639109     -4.215463      2.619694
  C      -3.845435     -4.873368      3.831446
  C      -4.090858     -4.113139      4.974059
  Br     -4.409266     -4.998641      6.626993
  C      -4.118494     -2.721253      4.935486
  C      -5.001536      4.776211      4.852506
  N      -5.420364      5.987199      5.139462
  C      -6.735555      6.231239      4.751026
  O      -7.300815      5.678310      3.801487
  C      -7.459717      7.259541      5.570592
  C      -8.744079      7.654879      5.174216
  C      -9.462382      8.572303      5.934452
  C      -8.915943      9.100522      7.109559
  C      -7.639146      8.693094      7.494315
  Br     -6.884485      9.388003      9.117544
  C      -6.896517      7.788589      6.743092
  C      -6.202841      2.015737      5.862946
  N      -7.127957      2.622455      6.566092
  C      -8.446533      2.501276      6.135853
  O      -8.902376      1.571766      5.465000
  C      -9.300917      3.646911      6.589864
  C      -8.897601      4.500576      7.626825
  C      -9.720632      5.549501      8.026792
  C     -10.942587      5.776389      7.387320
  C     -11.321933      4.929334      6.343825
  Br    -12.977949      5.262708      5.440852
  C     -10.528649      3.864154      5.942560
  H      -1.928117     -1.167038      5.403124
  H      -3.551665     -2.306912      1.604264
  H      -3.450269     -4.803860      1.721228
  H      -3.824097     -5.960528      3.885169
  H      -4.339036     -2.147481      5.835260
  H      -5.709606      4.019620      4.498956
  H      -9.172394      7.215940      4.269543
  H     -10.466346      8.873733      5.626976
  H      -9.475975      9.810455      7.715937
  H      -5.896901      7.481135      7.047896
  H      -6.450767      1.439498      4.955458
  H      -7.933768      4.331086      8.108560
  H      -9.409253      6.215414      8.833327
  H     -11.578592      6.607501      7.685740
  H     -10.829527      3.200339      5.133202
  N      -2.313147      2.571957      3.511077
72
Coordinates from ORCA-job orca E -13783.052519550582
  N      -1.892245      0.921480      5.919990
  Mo     -3.116778      2.351983      4.956036
  N      -4.901474      2.100414      6.121967
  C      -4.597195      2.847890      7.361189
  C      -3.120594      2.776652      7.772659
  N      -2.147941      3.288389      6.729289
  C      -0.769291      2.742088      6.929313
  C      -0.783236      1.212088      6.792146
  C      -2.137034      4.800862      6.684202
  C      -2.674379      5.262307      5.335099
  N      -3.767744      4.365445      4.993889
  H       0.178822      0.859026      6.390895
  H      -0.930209      0.728425      7.770639
  H      -0.148378      3.188108      6.142345
  H      -0.374312      3.054099      7.909061
  H      -3.034971      6.300544      5.389624
  H      -1.899426      5.196454      4.554908
  H      -2.793527      5.164999      7.485293
  H      -1.117867      5.156600      6.883090
  H      -5.178510      2.399670      8.183107
  H      -4.937259      3.893626      7.291996
  H      -2.858119      1.737875      7.996986
  H      -2.975299      3.373091      8.686936
  C      -2.339832     -0.161149      5.325204
  N      -3.406769      0.168470      4.588299
  C      -4.010522     -0.608509      3.611314
  O      -4.639306     -0.088136      2.696605
  C      -3.907106     -2.098912      3.743308
  C      -3.701849     -2.854415      2.582072
  C      -3.654323     -4.243366      2.655819
  C      -3.840011     -4.896431      3.873830
  C      -4.061804     -4.131769      5.018167
  Br     -4.356867     -5.012131      6.678614
  C      -4.086829     -2.739789      4.974575
  C      -5.020536      4.804724      4.887261
  N      -5.429735      6.020056      5.181670
  C      -6.737836      6.276602      4.785766
  O      -7.300839      5.730184      3.829034
  C      -7.464101      7.303932      5.603501
  C      -8.739704      7.710462      5.194492
  C      -9.463998      8.625133      5.953621
  C      -8.931361      9.138455      7.141594
  C      -7.663029      8.718993      7.539188
  Br     -6.926588      9.392598      9.178401
  C      -6.914852      7.817997      6.788646
  C      -6.204454      2.009657      5.810345
  N      -7.131908      2.594314      6.525811
  C      -8.450039      2.483646      6.092461
  O      -8.904128      1.565386      5.398357
  C      -9.299816      3.629598      6.555546
  C      -8.889468      4.484683      7.588006
  C      -9.703857      5.542388      7.985211
  C     -10.921557      5.779052      7.346505
  C     -11.309618      4.929700      6.309631
  Br    -12.961490      5.276083      5.408347
  C     -10.526827      3.853312      5.913480
  H      -1.881284     -1.159878      5.359219
  H      -3.587684     -2.338574      1.630576
  H      -3.483507     -4.835834      1.757213
  H      -3.821782     -5.983808      3.930400
  H      -4.287221     -2.161239      5.875379
  H      -5.742623      4.060465      4.536078
  H      -9.158097      7.284680      4.280560
  H     -10.460661      8.935150      5.634438
  H      -9.495642      9.846908      7.746419
  H      -5.921287      7.502762      7.103543
  H      -6.447260      1.450204      4.891062
  H      -7.927864      4.309864      8.066973
  H      -9.385645      6.209767      8.786828
  H     -11.548210      6.619141      7.642237
  H     -10.835072      3.185761      5.109835
  N      -2.431129      2.566011      3.465915
72
Coordinates from ORCA-job orca E -13783.053569218926
  N      -1.872723      0.915130      5.890050
  Mo     -3.146195      2.335813      4.954449
  N      -4.933034      2.088988      6.083977
  C      -4.624432      2.806397      7.341783
  C      -3.143754      2.732226      7.755484
  N      -2.167376      3.269732      6.727356
  C      -0.781462      2.737509      6.927054
  C      -0.766535      1.209909      6.764822
  C      -2.170097      4.782170      6.704929
  C      -2.707927      5.248846      5.357321
  N      -3.804791      4.357580      5.010230
  H       0.202440      0.882706      6.353501
  H      -0.900651      0.701698      7.735104
  H      -0.166666      3.202420      6.144510
  H      -0.392376      3.046674      7.910312
  H      -3.063238      6.289338      5.412672
  H      -1.926612      5.179535      4.582875
  H      -2.827836      5.136423      7.509777
  H      -1.152378      5.141786      6.903749
  H      -5.201580      2.339931      8.155470
  H      -4.958657      3.853676      7.294156
  H      -2.876463      1.689622      7.957682
  H      -3.008780      3.309940      8.682697
  C      -2.316876     -0.175877      5.306005
  N      -3.398203      0.141146      4.593521
  C      -4.027524     -0.647022      3.643275
  O      -4.694137     -0.143680      2.747142
  C      -3.885179     -2.135447      3.765548
  C      -3.709392     -2.884765      2.593883
  C      -3.627326     -4.271569      2.662205
  C      -3.748171     -4.928160      3.886887
  C      -3.941205     -4.170474      5.042499
  Br     -4.146163     -5.056739      6.713454
  C      -4.000169     -2.780703      5.003418
  C      -5.046913      4.817865      4.895491
  N      -5.443255      6.038935      5.193934
  C      -6.742174      6.317232      4.790529
  O      -7.308987      5.781685      3.829053
  C      -7.460092      7.349766      5.606961
  C      -8.724476      7.778739      5.188896
  C      -9.444177      8.695541      5.951039
  C      -8.919650      9.186605      7.150791
  C      -7.662324      8.744044      7.556970
  Br     -6.937206      9.387548      9.210505
  C      -6.918991      7.842655      6.802864
  C      -6.238198      2.021039      5.767859
  N      -7.158593      2.586498      6.505244
  C      -8.476373      2.496519      6.071219
  O      -8.935961      1.602345      5.348511
  C      -9.319701      3.642034      6.550999
  C      -8.898829      4.490178      7.584570
  C      -9.700405      5.556717      7.986560
  C     -10.914326      5.809635      7.349830
  C     -11.314512      4.965959      6.314688
  Br    -12.960781      5.335736      5.413229
  C     -10.545220      3.879568      5.915772
  H      -1.841417     -1.167388      5.330295
  H      -3.645199     -2.365469      1.639269
  H      -3.478385     -4.858964      1.754962
  H      -3.702406     -6.013778      3.939223
  H      -4.174748     -2.207238      5.914112
  H      -5.786901      4.089906      4.541725
  H      -9.136250      7.371020      4.266851
  H     -10.430546      9.023998      5.622844
  H      -9.480578      9.897092      7.757121
  H      -5.934393      7.509909      7.124924
  H      -6.481953      1.491942      4.832734
  H      -7.939433      4.303065      8.058632
  H      -9.371783      6.218269      8.787727
  H     -11.531137      6.657316      7.646495
  H     -10.861374      3.216321      5.111537
  N      -2.539782      2.536708      3.430249
72
Coordinates from ORCA-job orca E -13783.054523453568
  N      -1.843360      0.926725      5.853422
  Mo     -3.159376      2.334419      4.957818
  N      -4.941857      2.081216      6.060798
  C      -4.630049      2.765465      7.335606
  C      -3.146398      2.692818      7.749395
  N      -2.170310      3.260023      6.738091
  C      -0.779354      2.740783      6.932732
  C      -0.740234      1.219174      6.733165
  C      -2.189707      4.769712      6.741905
  C      -2.719958      5.250035      5.397618
  N      -3.814953      4.365310      5.032012
  H       0.232897      0.920669      6.310200
  H      -0.862620      0.683335      7.689204
  H      -0.168882      3.231402      6.163437
  H      -0.397567      3.036323      7.922391
  H      -3.073621      6.290533      5.456206
  H      -1.927670      5.183789      4.633242
  H      -2.851259      5.105929      7.551301
  H      -1.175410      5.136544      6.946697
  H      -5.197934      2.276924      8.141477
  H      -4.968940      3.811702      7.309703
  H      -2.870008      1.647984      7.926148
  H      -3.021238      3.247709      8.691393
  C      -2.285379     -0.170342      5.277096
  N      -3.385418      0.134731      4.590690
  C      -4.039715     -0.661136      3.662634
  O      -4.749605     -0.166135      2.795728
  C      -3.880999     -2.149657      3.782445
  C      -3.750089     -2.899624      2.606086
  C      -3.661694     -4.287694      2.672745
  C      -3.730502     -4.944616      3.903100
  C      -3.878906     -4.186575      5.064232
  Br     -4.011613     -5.073927      6.745525
  C      -3.944357     -2.795505      5.025353
  C      -5.050189      4.834740      4.897835
  N      -5.447870      6.054846      5.201627
  C      -6.739402      6.343445      4.784940
  O      -7.303330      5.814630      3.818229
  C      -7.459436      7.375890      5.600653
  C      -8.718513      7.814401      5.175212
  C      -9.439738      8.729112      5.939770
  C      -8.924908      9.207723      7.147472
  C      -7.672985      8.755556      7.560156
  Br     -6.962151      9.382039      9.224953
  C      -6.928111      7.857237      6.804047
  C      -6.247427      2.031953      5.739012
  N      -7.164491      2.577404      6.495607
  C      -8.481387      2.499601      6.055408
  O      -8.943008      1.618220      5.319753
  C      -9.324491      3.643311      6.543434
  C      -8.897799      4.492440      7.574973
  C      -9.694619      5.562601      7.978723
  C     -10.910277      5.816473      7.345186
  C     -11.316946      4.970643      6.313765
  Br    -12.964052      5.342117      5.414728
  C     -10.551634      3.881486      5.912715
  H      -1.795850     -1.154084      5.288690
  H      -3.727373     -2.380294      1.648859
  H      -3.548854     -4.874721      1.760417
  H      -3.680253     -6.031770      3.954862
  H      -4.086101     -2.222710      5.941914
  H      -5.791780      4.117413      4.520863
  H      -9.121122      7.416572      4.246458
  H     -10.420311      9.066753      5.605155
  H      -9.487648      9.916747      7.755330
  H      -5.948918      7.515791      7.131936
  H      -6.486557      1.535437      4.784536
  H      -7.936282      4.303646      8.044667
  H      -9.359871      6.225383      8.777148
  H     -11.525339      6.666550      7.640618
  H     -10.869401      3.219635      5.107404
  N      -2.628391      2.530050      3.405361
72
Coordinates from ORCA-job orca E -13783.055456799511
  N      -1.823464      0.931934      5.820304
  Mo     -3.177196      2.320386      4.957975
  N      -4.965589      2.075750      6.063908
  C      -4.645889      2.729653      7.350398
  C      -3.159075      2.649422      7.757477
  N      -2.187404      3.240414      6.757885
  C      -0.792481      2.734499      6.950380
  C      -0.728419      1.219590      6.711331
  C      -2.225929      4.746356      6.780859
  C      -2.740069      5.238190      5.436874
  N      -3.827567      4.356050      5.046696
  H       0.249769      0.951336      6.279835
  H      -0.844390      0.654675      7.650775
  H      -0.182211      3.252420      6.199045
  H      -0.423658      3.013727      7.948866
  H      -3.095598      6.277511      5.493040
  H      -1.931728      5.174270      4.688214
  H      -2.894249      5.064161      7.591817
  H      -1.217457      5.125491      6.994659
  H      -5.205278      2.228529      8.154828
  H      -4.985408      3.777135      7.338264
  H      -2.879936      1.600088      7.906385
  H      -3.032826      3.179133      8.713792
  C      -2.255214     -0.170820      5.248008
  N      -3.373501      0.120324      4.583081
  C      -4.062790     -0.679139      3.683064
  O      -4.818318     -0.184997      2.855487
  C      -3.878902     -2.166616      3.787016
  C      -3.803347     -2.910056      2.601640
  C      -3.683748     -4.296753      2.657388
  C      -3.663675     -4.959139      3.888732
  C      -3.759642     -4.208330      5.059505
  Br     -3.763530     -5.101381      6.747078
  C      -3.858867     -2.818896      5.029410
  C      -5.057729      4.828640      4.887464
  N      -5.454609      6.048257      5.191089
  C      -6.740279      6.347533      4.763539
  O      -7.306097      5.822218      3.797481
  C      -7.454450      7.387538      5.577116
  C      -8.712178      7.834497      5.151359
  C      -9.426632      8.751810      5.918609
  C      -8.909076      9.226681      7.125762
  C      -7.658275      8.767667      7.537705
  Br     -6.946798      9.388447      9.203840
  C      -6.920276      7.866209      6.779715
  C      -6.271840      2.055761      5.740559
  N      -7.181819      2.589733      6.514753
  C      -8.499515      2.522373      6.068809
  O      -8.967228      1.647858      5.333269
  C      -9.340835      3.670415      6.554297
  C      -8.909591      4.523762      7.582301
  C      -9.702002      5.598767      7.982678
  C     -10.919478      5.850573      7.348274
  C     -11.330881      4.999033      6.321433
  Br    -12.977711      5.368023      5.417701
  C     -10.569036      3.906615      5.922584
  H      -1.750842     -1.146969      5.252536
  H      -3.845500     -2.386791      1.646021
  H      -3.613279     -4.876685      1.735850
  H      -3.585063     -6.045013      3.933851
  H      -3.961184     -2.254857      5.956733
  H      -5.795953      4.120154      4.482861
  H      -9.115539      7.437124      4.222147
  H     -10.406047      9.095932      5.584629
  H      -9.467518      9.936826      7.735755
  H      -5.943379      7.516752      7.107448
  H      -6.511808      1.597145      4.769508
  H      -7.946737      4.333365      8.051760
  H      -9.362230      6.265084      8.777976
  H     -11.534632      6.703124      7.636735
  H     -10.888018      3.242829      5.117587
  N      -2.671245      2.528963      3.396253
72
Coordinates from ORCA-job orca E -13783.056091841385
  N      -1.810874      0.947919      5.771449
  Mo     -3.190753      2.327322      4.957739
  N      -4.968670      2.074409      6.044055
  C      -4.644752      2.698645      7.342937
  C      -3.157916      2.613660      7.748572
  N      -2.186182      3.231635      6.766641
  C      -0.791029      2.729953      6.948527
  C      -0.718970      1.222715      6.670572
  C      -2.233525      4.734874      6.814872
  C      -2.732383      5.246247      5.474687
  N      -3.818964      4.374209      5.066445
  H       0.260930      0.971720      6.233897
  H      -0.834249      0.636231      7.595983
  H      -0.179357      3.273219      6.216895
  H      -0.428019      2.982870      7.956263
  H      -3.084717      6.286036      5.535487
  H      -1.917720      5.188428      4.731714
  H      -2.911265      5.032209      7.625552
  H      -1.230354      5.118991      7.046530
  H      -5.200384      2.177132      8.137548
  H      -4.992496      3.744786      7.352097
  H      -2.873609      1.562496      7.876076
  H      -3.038033      3.120953      8.718432
  C      -2.252979     -0.158938      5.212593
  N      -3.392907      0.122373      4.574847
  C      -4.103641     -0.686947      3.699758
  O      -4.886444     -0.204665      2.892911
  C      -3.898800     -2.171411      3.808136
  C      -3.843530     -2.921602      2.626251
  C      -3.699589     -4.305230      2.687531
  C      -3.634317     -4.959110      3.921707
  C      -3.711989     -4.201828      5.088853
  Br     -3.652280     -5.081272      6.783295
  C      -3.836352     -2.815174      5.052299
  C      -5.046578      4.844998      4.886924
  N      -5.449442      6.060048      5.199097
  C      -6.731306      6.362172      4.760167
  O      -7.290914      5.846117      3.785747
  C      -7.450465      7.399231      5.577599
  C      -8.707152      7.848422      5.149347
  C      -9.425786      8.759725      5.920078
  C      -8.913800      9.228621      7.131882
  C      -7.663090      8.769726      7.545324
  Br     -6.958542      9.383969      9.218692
  C      -6.920773      7.872831      6.784971
  C      -6.273095      2.067321      5.710902
  N      -7.183186      2.587881      6.492019
  C      -8.499231      2.536545      6.031876
  O      -8.966062      1.665430      5.297452
  C      -9.337787      3.682331      6.525504
  C      -8.901422      4.529443      7.555255
  C      -9.695182      5.597524      7.968514
  C     -10.922423      5.844797      7.348289
  C     -11.338216      4.999266      6.318698
  Br    -13.000711      5.358292      5.438812
  C     -10.571891      3.918330      5.902462
  H      -1.745640     -1.134119      5.207099
  H      -3.919037     -2.406159      1.668574
  H      -3.644621     -4.889377      1.767717
  H      -3.534618     -6.042437      3.972563
  H      -3.925025     -2.248431      5.979168
  H      -5.771268      4.138473      4.454906
  H      -9.105539      7.454207      4.214913
  H     -10.405326      9.105440      5.585677
  H      -9.476091      9.933184      7.745469
  H      -5.944502      7.521423      7.114019
  H      -6.506440      1.640221      4.720740
  H      -7.933138      4.339356      8.017321
  H      -9.351758      6.260806      8.764514
  H     -11.541084      6.689968      7.647710
  H     -10.892637      3.262123      5.094286
  N      -2.753003      2.533755      3.376569
72
Coordinates from ORCA-job orca E -13783.056634709541
  N      -1.786295      0.960593      5.725530
  Mo     -3.207294      2.321225      4.961439
  N      -4.974973      2.067054      6.052722
  C      -4.645521      2.664220      7.361955
  C      -3.157017      2.568017      7.754913
  N      -2.196432      3.214766      6.782626
  C      -0.794674      2.730519      6.949326
  C      -0.698739      1.232487      6.631807
  C      -2.263991      4.715818      6.855508
  C      -2.751280      5.240618      5.517917
  N      -3.832798      4.369200      5.095320
  H       0.285107      1.008426      6.189741
  H      -0.805568      0.622068      7.542415
  H      -0.190129      3.303614      6.234522
  H      -0.435503      2.959649      7.964555
  H      -3.106302      6.279245      5.584342
  H      -1.933035      5.193413      4.777995
  H      -2.958959      4.989245      7.659998
  H      -1.271191      5.112743      7.110194
  H      -5.199701      2.126587      8.148121
  H      -4.993618      3.710240      7.392489
  H      -2.871671      1.513681      7.854603
  H      -3.030691      3.049807      8.737493
  C      -2.226160     -0.152468      5.176838
  N      -3.385968      0.112161      4.567197
  C      -4.127230     -0.704199      3.725376
  O      -4.956260     -0.225309      2.961435
  C      -3.902860     -2.186889      3.820343
  C      -3.906937     -2.936333      2.636940
  C      -3.743107     -4.319766      2.687876
  C      -3.596429     -4.975485      3.913839
  C      -3.615724     -4.218938      5.083337
  Br     -3.444061     -5.098303      6.770605
  C      -3.761176     -2.832210      5.056271
  C      -5.057371      4.841487      4.898663
  N      -5.457956      6.057233      5.211631
  C      -6.735100      6.364650      4.762176
  O      -7.288860      5.851657      3.783334
  C      -7.455671      7.405929      5.574196
  C      -8.709950      7.857413      5.138731
  C      -9.429416      8.772042      5.902607
  C      -8.918887      9.244301      7.115013
  C      -7.671131      8.782851      7.536514
  Br     -6.970447      9.399531      9.212186
  C      -6.928233      7.880848      6.783424
  C      -6.279237      2.080739      5.714631
  N      -7.190277      2.593533      6.497592
  C      -8.507858      2.551363      6.030537
  O      -8.976913      1.676682      5.301667
  C      -9.337174      3.706071      6.515332
  C      -8.896895      4.556791      7.540357
  C      -9.686198      5.630521      7.947059
  C     -10.912369      5.880112      7.325751
  C     -11.332433      5.029897      6.300670
  Br    -12.995383      5.389677      5.421783
  C     -10.571628      3.943097      5.890371
  H      -1.706590     -1.121734      5.162830
  H      -4.044812     -2.421245      1.686390
  H      -3.736203     -4.902304      1.766206
  H      -3.479334     -6.059167      3.957941
  H      -3.805499     -2.268985      5.987774
  H      -5.774340      4.137514      4.453843
  H      -9.106744      7.460963      4.203050
  H     -10.407782      9.119300      5.563151
  H      -9.480760      9.952106      7.723547
  H      -5.953659      7.527114      7.117957
  H      -6.512493      1.677788      4.717382
  H      -7.930748      4.363325      8.006105
  H      -9.340994      6.296288      8.739870
  H     -11.527596      6.729134      7.620416
  H     -10.898454      3.280594      5.088730
  N      -2.791314      2.551694      3.377006
72
Coordinates from ORCA-job orca E -13783.057067896840
  N      -1.768073      0.971480      5.668951
  Mo     -3.223894      2.319525      4.955205
  N      -4.985275      2.060931      6.046624
  C      -4.650100      2.633331      7.365020
  C      -3.160014      2.525679      7.746136
  N      -2.206847      3.198581      6.784822
  C      -0.799760      2.726546      6.937924
  C      -0.684455      1.237969      6.583319
  C      -2.288924      4.697556      6.887780
  C      -2.765769      5.239447      5.554310
  N      -3.843687      4.372216      5.115395
  H       0.302969      1.036300      6.137957
  H      -0.784407      0.605275      7.479679
  H      -0.201269      3.326277      6.239879
  H      -0.442778      2.930759      7.959997
  H      -3.121653      6.277430      5.631420
  H      -1.944228      5.204885      4.816981
  H      -3.001407      4.948477      7.684289
  H      -1.304904      5.098661      7.168292
  H      -5.203211      2.082220      8.142792
  H      -4.995871      3.678899      7.417490
  H      -2.873490      1.469570      7.819702
  H      -3.028180      2.982723      8.740038
  C      -2.216977     -0.148272      5.139028
  N      -3.390575      0.104101      4.554927
  C      -4.152405     -0.723498      3.744926
  O      -5.009135     -0.257586      3.004324
  C      -3.909252     -2.201751      3.838358
  C      -3.934429     -2.955539      2.657485
  C      -3.742044     -4.333449      2.709013
  C      -3.546561     -4.981259      3.932911
  C      -3.548252     -4.221399      5.100447
  Br     -3.310165     -5.088064      6.786919
  C      -3.721809     -2.839776      5.072371
  C      -5.064142      4.846969      4.901896
  N      -5.466385      6.060994      5.222299
  C      -6.738615      6.375874      4.765071
  O      -7.287542      5.871291      3.777756
  C      -7.458625      7.417586      5.576725
  C      -8.705613      7.879691      5.134330
  C      -9.422662      8.799532      5.894624
  C      -8.915683      9.265161      7.112124
  C      -7.676312      8.790901      7.541386
  Br     -6.981561      9.395360      9.224288
  C      -6.935555      7.883847      6.791906
  C      -6.289121      2.089247      5.703143
  N      -7.202628      2.588738      6.489937
  C      -8.520046      2.559481      6.019560
  O      -8.991767      1.685299      5.291017
  C      -9.340527      3.718835      6.503837
  C      -8.897384      4.564678      7.530925
  C      -9.681736      5.641980      7.938289
  C     -10.904844      5.900812      7.316601
  C     -11.327593      5.055608      6.288939
  Br    -12.988204      5.427336      5.412074
  C     -10.572681      3.964855      5.877994
  H      -1.692749     -1.115352      5.120660
  H      -4.107598     -2.447498      1.708356
  H      -3.749538     -4.918731      1.788900
  H      -3.404451     -6.059977      3.977940
  H      -3.750540     -2.275502      6.003589
  H      -5.774320      4.144856      4.445494
  H      -9.099505      7.489703      4.194376
  H     -10.395223      9.156100      5.549712
  H      -9.474690      9.977666      7.718358
  H      -5.966920      7.520815      7.132071
  H      -6.516790      1.711137      4.695694
  H      -7.934562      4.364457      7.999388
  H      -9.334748      6.304563      8.732815
  H     -11.515306      6.752764      7.613095
  H     -10.904373      3.304243      5.077514
  N      -2.845525      2.562749      3.364618
72
Coordinates from ORCA-job orca E -13783.057419713734
  N      -1.746786      0.981679      5.626335
  Mo     -3.227979      2.322772      4.954499
  N      -4.987283      2.064339      6.037676
  C      -4.651502      2.611012      7.366711
  C      -3.161576      2.489565      7.742053
  N      -2.212296      3.184676      6.793389
  C      -0.801136      2.720977      6.937798
  C      -0.670289      1.240865      6.552606
  C      -2.306022      4.681755      6.923994
  C      -2.770488      5.241445      5.593861
  N      -3.843777      4.377990      5.135357
  H       0.321594      1.055865      6.109269
  H      -0.768882      0.589737      7.436307
  H      -0.207031      3.342441      6.254738
  H      -0.446861      2.902773      7.965541
  H      -3.128471      6.277957      5.684218
  H      -1.944187      5.221387      4.860942
  H      -3.037945      4.913232      7.708717
  H      -1.330854      5.082727      7.232949
  H      -5.209205      2.047980      8.132150
  H      -4.991722      3.656833      7.441037
  H      -2.876269      1.431434      7.789713
  H      -3.024487      2.921406      8.746534
  C      -2.209189     -0.143153      5.116198
  N      -3.391153      0.103172      4.551159
  C      -4.167477     -0.731642      3.762914
  O      -5.043539     -0.272501      3.039599
  C      -3.913445     -2.208789      3.849090
  C      -3.969775     -2.964194      2.669420
  C      -3.766715     -4.341761      2.714963
  C      -3.527532     -4.988261      3.931123
  C      -3.498144     -4.227013      5.098255
  Br     -3.198269     -5.091045      6.774574
  C      -3.682646     -2.845622      5.076262
  C      -5.059983      4.856217      4.905338
  N      -5.467215      6.069226      5.228727
  C      -6.732050      6.387746      4.755990
  O      -7.267501      5.887331      3.758192
  C      -7.462993      7.425449      5.561601
  C      -8.703211      7.889661      5.103853
  C      -9.430586      8.808365      5.855134
  C      -8.939918      9.268522      7.081075
  C      -7.707886      8.790729      7.526492
  Br     -7.036098      9.384798      9.221803
  C      -6.956740      7.885495      6.785891
  C      -6.291980      2.101094      5.694769
  N      -7.204285      2.585291      6.490683
  C      -8.523795      2.564645      6.027090
  O      -9.001731      1.690093      5.302963
  C      -9.333403      3.730580      6.510538
  C      -8.882358      4.576806      7.533901
  C      -9.661565      5.657475      7.943154
  C     -10.886325      5.920094      7.327926
  C     -11.315850      5.076251      6.302258
  Br    -12.978996      5.454790      5.435174
  C     -10.566429      3.982043      5.890001
  H      -1.685510     -1.110753      5.097940
  H      -4.176711     -2.458234      1.726362
  H      -3.799140     -4.928424      1.795701
  H      -3.375136     -6.066746      3.971566
  H      -3.684988     -2.280440      6.007957
  H      -5.762920      4.154966      4.437730
  H      -9.085124      7.504954      4.157883
  H     -10.397821      9.167058      5.497973
  H      -9.505753      9.980971      7.680189
  H      -5.993747      7.519688      7.138775
  H      -6.520197      1.742456      4.679730
  H      -7.919436      4.374145      7.999516
  H      -9.309912      6.319684      8.735613
  H     -11.492466      6.773586      7.629193
  H     -10.905006      3.321225      5.093367
  N      -2.876789      2.577437      3.360013
72
Coordinates from ORCA-job orca E -13783.057695024485
  N      -1.724716      0.998454      5.571931
  Mo     -3.232948      2.330430      4.944657
  N      -4.985975      2.062082      6.031065
  C      -4.649642      2.583227      7.369073
  C      -3.158820      2.453088      7.734281
  N      -2.219720      3.172366      6.795093
  C      -0.803645      2.720451      6.927233
  C      -0.655601      1.250578      6.510380
  C      -2.325794      4.666008      6.956441
  C      -2.778028      5.247416      5.631715
  N      -3.844214      4.387498      5.149680
  H       0.339961      1.086240      6.067341
  H      -0.748966      0.579088      7.379083
  H      -0.218915      3.364137      6.257023
  H      -0.448835      2.882167      7.958630
  H      -3.140942      6.280687      5.739553
  H      -1.945359      5.245529      4.905576
  H      -3.075513      4.876529      7.730059
  H      -1.359289      5.064628      7.293060
  H      -5.207518      2.008672      8.124909
  H      -4.986116      3.628274      7.463954
  H      -2.871475      1.394580      7.751346
  H      -3.012463      2.857559      8.748590
  C      -2.199857     -0.131188      5.082791
  N      -3.388260      0.109411      4.533814
  C      -4.173722     -0.734330      3.764960
  O      -5.063279     -0.284740      3.052830
  C      -3.916551     -2.209638      3.857516
  C      -3.986171     -2.972257      2.683788
  C      -3.779819     -4.348276      2.736866
  C      -3.524711     -4.986629      3.954947
  C      -3.483245     -4.218751      5.116889
  Br     -3.163448     -5.072373      6.796247
  C      -3.670287     -2.838770      5.086906
  C      -5.057223      4.868184      4.907251
  N      -5.470443      6.077452      5.237175
  C      -6.730531      6.398637      4.755274
  O      -7.257437      5.904104      3.748909
  C      -7.466021      7.434445      5.557826
  C      -8.699093      7.904775      5.090415
  C      -9.427931      8.828832      5.835645
  C      -8.945907      9.285755      7.066474
  C      -7.721721      8.800006      7.522131
  Br     -7.062754      9.386210      9.225284
  C      -6.969093      7.890465      6.787523
  C      -6.290571      2.103672      5.687004
  N      -7.204719      2.572761      6.488597
  C      -8.524070      2.555751      6.030324
  O      -9.006814      1.680058      5.310310
  C      -9.328988      3.724737      6.511184
  C      -8.875770      4.570043      7.533981
  C      -9.652188      5.653161      7.942484
  C     -10.874862      5.920581      7.326429
  C     -11.306479      5.078196      6.300494
  Br    -12.966080      5.464923      5.431768
  C     -10.560502      3.980433      5.890755
  H      -1.676889     -1.098416      5.066200
  H      -4.205433     -2.473014      1.739529
  H      -3.822070     -4.940822      1.822179
  H      -3.369453     -6.063936      4.001463
  H      -3.663425     -2.268091      6.014781
  H      -5.755080      4.169544      4.427111
  H      -9.074621      7.524600      4.140782
  H     -10.388872      9.193243      5.470218
  H      -9.512418     10.003284      7.660438
  H      -6.012292      7.518976      7.148734
  H      -6.515396      1.758584      4.666074
  H      -7.914134      4.365503      8.000529
  H      -9.299918      6.313447      8.735718
  H     -11.477929      6.775962      7.629465
  H     -10.901010      3.320267      5.094488
  N      -2.900877      2.599850      3.348836
72
Coordinates from ORCA-job orca E -13783.057914864172
  N      -1.705676      1.010705      5.533772
  Mo     -3.232088      2.339135      4.936949
  N      -4.985971      2.067277      6.012091
  C      -4.651308      2.561282      7.360230
  C      -3.160964      2.422448      7.724938
  N      -2.223643      3.160688      6.798794
  C      -0.805154      2.715508      6.926437
  C      -0.646549      1.254408      6.486544
  C      -2.337420      4.651179      6.983175
  C      -2.776821      5.252091      5.662813
  N      -3.838119      4.398001      5.159250
  H       0.353386      1.105096      6.047873
  H      -0.740751      0.567050      7.342456
  H      -0.224680      3.373973      6.266601
  H      -0.452682      2.863087      7.960390
  H      -3.142388      6.282851      5.783906
  H      -1.936881      5.262325      4.945079
  H      -3.098920      4.846913      7.748884
  H      -1.376939      5.046068      7.340440
  H      -5.212571      1.975388      8.104732
  H      -4.984484      3.606036      7.472669
  H      -2.873600      1.363253      7.717120
  H      -3.012547      2.803491      8.747861
  C      -2.193777     -0.121719      5.062727
  N      -3.386594      0.118478      4.523036
  C      -4.178483     -0.730993      3.765958
  O      -5.074876     -0.286655      3.058901
  C      -3.920102     -2.206232      3.864196
  C      -3.997625     -2.974824      2.694911
  C      -3.790876     -4.350428      2.753452
  C      -3.527801     -4.981926      3.973154
  C      -3.478357     -4.208212      5.131177
  Br     -3.146839     -5.053323      6.812006
  C      -3.665147     -2.828757      5.095228
  C      -5.046444      4.883335      4.906420
  N      -5.462442      6.091227      5.237901
  C      -6.716641      6.414773      4.744166
  O      -7.232679      5.925350      3.729895
  C      -7.463133      7.443392      5.545442
  C      -8.697641      7.906496      5.072562
  C      -9.438681      8.819733      5.817984
  C      -8.967750      9.273692      7.053788
  C      -7.741446      8.796474      7.514451
  Br     -7.098703      9.376705      9.225881
  C      -6.977109      7.897604      6.780080
  C      -6.291169      2.111876      5.670758
  N      -7.202523      2.566769      6.482718
  C      -8.523950      2.552157      6.034175
  O      -9.014823      1.676738      5.319617
  C      -9.323622      3.724854      6.516752
  C      -8.860481      4.573474      7.533093
  C      -9.630821      5.660577      7.943641
  C     -10.857508      5.928299      7.335539
  C     -11.299354      5.082630      6.315614
  Br    -12.963236      5.470746      5.456328
  C     -10.559027      3.981148      5.904731
  H      -1.673625     -1.090698      5.051701
  H      -4.222760     -2.480327      1.749493
  H      -3.838575     -4.947881      1.841886
  H      -3.372145     -6.058639      4.024000
  H      -3.651246     -2.252432      6.019834
  H      -5.740647      4.190268      4.412376
  H      -9.066405      7.527309      4.119468
  H     -10.401508      9.176692      5.448402
  H      -9.544548      9.981723      7.647440
  H      -6.019688      7.531306      7.146328
  H      -6.517271      1.779802      4.646273
  H      -7.895194      4.369503      7.992691
  H      -9.270235      6.323906      8.731890
  H     -11.455306      6.786984      7.641051
  H     -10.905992      3.319462      5.111623
  N      -2.921321      2.615624      3.338267
72
Coordinates from ORCA-job orca E -13783.058101902536
  N      -1.682041      1.027553      5.493512
  Mo     -3.229449      2.349787      4.923335
  N      -4.982486      2.064925      5.999025
  C      -4.649809      2.535139      7.355102
  C      -3.158796      2.395074      7.716401
  N      -2.228314      3.152655      6.799137
  C      -0.805737      2.718020      6.920326
  C      -0.634833      1.264930      6.461864
  C      -2.352289      4.639840      7.003790
  C      -2.781714      5.259424      5.688723
  N      -3.835188      4.407605      5.162985
  H       0.369971      1.131956      6.028094
  H      -0.728811      0.562613      7.305772
  H      -0.232981      3.389289      6.266137
  H      -0.453536      2.857984      7.955255
  H      -3.154775      6.285670      5.823503
  H      -1.934314      5.284375      4.980424
  H      -3.121934      4.820767      7.764619
  H      -1.397397      5.033382      7.377297
  H      -5.210127      1.938799      8.092090
  H      -4.983660      3.578445      7.480848
  H      -2.867903      1.336938      7.683547
  H      -3.006638      2.754975      8.746136
  C      -2.181049     -0.107461      5.041175
  N      -3.376505      0.132698      4.506505
  C      -4.173787     -0.723196      3.761271
  O      -5.074111     -0.283324      3.056479
  C      -3.917668     -2.198743      3.870585
  C      -4.005934     -2.976902      2.708992
  C      -3.811516     -4.354565      2.778583
  C      -3.549542     -4.977006      4.002711
  C      -3.487096     -4.193207      5.153181
  Br     -3.157005     -5.027625      6.839240
  C      -3.661195     -2.811873      5.105610
  C      -5.042697      4.892960      4.905235
  N      -5.462169      6.098652      5.238176
  C      -6.714927      6.423045      4.740453
  O      -7.227546      5.938448      3.722587
  C      -7.463321      7.449888      5.542928
  C      -8.697255      7.914068      5.069848
  C      -9.438870      8.825898      5.817664
  C      -8.970179      9.278585      7.054415
  C      -7.744117      8.800727      7.514858
  Br     -7.104430      9.379173      9.228599
  C      -6.979665      7.903173      6.778487
  C      -6.287385      2.108899      5.658062
  N      -7.198393      2.555342      6.474540
  C      -8.517917      2.544136      6.027786
  O      -9.013306      1.670220      5.315142
  C      -9.318121      3.717601      6.511443
  C      -8.853394      4.564451      7.527773
  C      -9.623563      5.649845      7.941270
  C     -10.851711      5.917702      7.334333
  C     -11.294260      5.075197      6.313357
  Br    -12.959353      5.462925      5.454029
  C     -10.553850      3.975192      5.900558
  H      -1.664025     -1.078293      5.040368
  H      -4.232152     -2.488616      1.761054
  H      -3.869140     -4.960038      1.873178
  H      -3.405319     -6.055713      4.062485
  H      -3.638655     -2.226421      6.024367
  H      -5.735180      4.203836      4.400004
  H      -9.064044      7.537403      4.115488
  H     -10.400658      9.183575      5.446976
  H      -9.548297      9.986042      7.648869
  H      -6.022679      7.536714      7.145432
  H      -6.513219      1.784431      4.629890
  H      -7.887182      4.359324      7.985660
  H      -9.262336      6.309827      8.730924
  H     -11.449940      6.774145      7.642786
  H     -10.899973      3.316102      5.104718
  N      -2.925496      2.636923      3.326008
72
Coordinates from ORCA-job orca E -13783.058229491113
  N      -1.664878      1.041043      5.461294
  Mo     -3.227755      2.359779      4.909942
  N      -4.979688      2.066119      5.978216
  C      -4.648673      2.517090      7.340910
  C      -3.158119      2.374536      7.702902
  N      -2.228922      3.146688      6.796775
  C      -0.804687      2.718697      6.914108
  C      -0.627333      1.272200      6.442148
  C      -2.358858      4.630761      7.016596
  C      -2.782362      5.263972      5.706408
  N      -3.831997      4.416390      5.166049
  H       0.381115      1.149766      6.014186
  H      -0.724041      0.559527      7.276442
  H      -0.235658      3.397915      6.265165
  H      -0.452911      2.852578      7.949536
  H      -3.159148      6.287577      5.849749
  H      -1.931086      5.297854      5.003304
  H      -3.131143      4.801190      7.777107
  H      -1.406808      5.024005      7.398277
  H      -5.210032      1.911227      8.069495
  H      -4.983735      3.558953      7.477602
  H      -2.865839      1.317192      7.654894
  H      -3.008394      2.720379      8.737764
  C      -2.173229     -0.095607      5.023266
  N      -3.370810      0.144874      4.491713
  C      -4.172397     -0.715734      3.756097
  O      -5.074421     -0.279747      3.051387
  C      -3.919500     -2.190867      3.878403
  C      -4.002767     -2.977451      2.722122
  C      -3.815173     -4.355147      2.803528
  C      -3.566564     -4.968680      4.034918
  C      -3.508868     -4.176367      5.179967
  Br     -3.196917     -4.999174      6.875076
  C      -3.675391     -2.794878      5.120312
  C      -5.037024      4.904569      4.905242
  N      -5.455839      6.109124      5.241332
  C      -6.706085      6.437155      4.739797
  O      -7.214640      5.957993      3.718062
  C      -7.458911      7.458489      5.546149
  C      -8.697629      7.915578      5.076921
  C      -9.444932      8.817084      5.830793
  C      -8.977447      9.268444      7.068435
  C      -7.745658      8.799527      7.524124
  Br     -7.107522      9.376637      9.238996
  C      -6.975968      7.911359      6.782240
  C      -6.285021      2.107710      5.639132
  N      -7.195501      2.546740      6.460604
  C      -8.517095      2.532661      6.019765
  O      -9.015697      1.656711      5.312032
  C      -9.316503      3.706808      6.505085
  C      -8.845426      4.557386      7.515820
  C      -9.610733      5.646889      7.928086
  C     -10.840409      5.915212      7.324341
  C     -11.290700      5.067134      6.310352
  Br    -12.957497      5.454674      5.454378
  C     -10.555706      3.962512      5.899385
  H      -1.661123     -1.069081      5.033192
  H      -4.219302     -2.495269      1.768654
  H      -3.868445     -4.967275      1.902278
  H      -3.429027     -6.047278      4.103910
  H      -3.656836     -2.201906      6.034367
  H      -5.728201      4.220662      4.391806
  H      -9.063940      7.538827      4.121615
  H     -10.411061      9.167652      5.463210
  H      -9.561529      9.966084      7.667788
  H      -6.015317      7.550812      7.146357
  H      -6.512204      1.788462      4.610587
  H      -7.876764      4.352442      7.969446
  H      -9.243431      6.310571      8.712626
  H     -11.433425      6.776866      7.629572
  H     -10.907263      3.300045      5.108160
  N      -2.936096      2.655638      3.311712
72
Coordinates from ORCA-job orca E -13783.058339173900
  N      -1.649634      1.050221      5.438543
  Mo     -3.223996      2.367282      4.897587
  N      -4.976821      2.064056      5.964923
  C      -4.645308      2.505396      7.330820
  C      -3.154438      2.361848      7.691594
  N      -2.226206      3.143655      6.793319
  C      -0.800688      2.719870      6.907371
  C      -0.619480      1.276677      6.428722
  C      -2.360919      4.625493      7.023048
  C      -2.783829      5.266495      5.717137
  N      -3.830869      4.420681      5.168722
  H       0.392152      1.158854      6.006556
  H      -0.720770      0.558326      7.257769
  H      -0.233712      3.403093      6.260744
  H      -0.448438      2.851063      7.942984
  H      -3.163829      6.288241      5.865365
  H      -1.931403      5.306669      5.015752
  H      -3.132270      4.788403      7.786253
  H      -1.410093      5.020506      7.406554
  H      -5.205971      1.893963      8.055544
  H      -4.982153      3.546019      7.473640
  H      -2.860807      1.305231      7.636046
  H      -3.007491      2.700450      8.729412
  C      -2.165814     -0.087251      5.011442
  N      -3.362841      0.154938      4.479087
  C      -4.170913     -0.707981      3.752765
  O      -5.074976     -0.273186      3.049588
  C      -3.922155     -2.183028      3.884917
  C      -4.005101     -2.977166      2.733495
  C      -3.824026     -4.355183      2.824443
  C      -3.583015     -4.961211      4.060739
  C      -3.524890     -4.161100      5.200477
  Br     -3.222754     -4.973426      6.901773
  C      -3.684454     -2.779032      5.131380
  C      -5.035792      4.908600      4.906736
  N      -5.455078      6.112235      5.245804
  C      -6.704159      6.443321      4.742763
  O      -7.211120      5.968005      3.718755
  C      -7.457716      7.462671      5.551743
  C      -8.697872      7.918220      5.084656
  C      -9.447171      8.814874      5.842207
  C      -8.980126      9.264084      7.080691
  C      -7.746064      8.797948      7.533468
  Br     -7.107579      9.374081      9.248149
  C      -6.974587      7.913880      6.788230
  C      -6.282221      2.103704      5.626119
  N      -7.193130      2.540609      6.448601
  C      -8.515246      2.526438      6.007770
  O      -9.012935      1.651128      5.298729
  C      -9.314934      3.699590      6.495972
  C      -8.843655      4.548349      7.507759
  C      -9.608170      5.637852      7.920955
  C     -10.837314      5.908082      7.316678
  C     -11.287943      5.061219      6.302567
  Br    -12.954774      5.450103      5.446245
  C     -10.554060      3.956526      5.890233
  H      -1.660888     -1.064615      5.034007
  H      -4.216382     -2.500431      1.776229
  H      -3.877189     -4.973263      1.927227
  H      -3.451616     -6.040065      4.136989
  H      -3.665269     -2.179499      6.041158
  H      -5.725412      4.225843      4.389888
  H      -9.063191      7.542571      4.128428
  H     -10.414789      9.163644      5.476497
  H      -9.566535      9.956923      7.683442
  H      -6.012458      7.555065      7.150374
  H      -6.509864      1.788815      4.596553
  H      -7.875396      4.341189      7.961319
  H      -9.240163      6.300425      8.705766
  H     -11.429319      6.770662      7.620531
  H     -10.906953      3.294570      5.099626
  N      -2.937916      2.672089      3.300634
72
Coordinates from ORCA-job orca E -13783.058436855546
  N      -1.639926      1.055883      5.428147
  Mo     -3.219259      2.373150      4.886685
  N      -4.972155      2.061607      5.952195
  C      -4.641841      2.502651      7.318938
  C      -3.151293      2.360200      7.681377
  N      -2.221415      3.145371      6.788803
  C      -0.795816      2.722336      6.902208
  C      -0.614124      1.279449      6.423741
  C      -2.358007      4.626106      7.021561
  C      -2.785353      5.267936      5.718162
  N      -3.831947      4.421739      5.169392
  H       0.399474      1.159637      6.007346
  H      -0.721659      0.561155      7.251920
  H      -0.228573      3.405161      6.255554
  H      -0.442553      2.853757      7.937688
  H      -3.166719      6.289252      5.866822
  H      -1.934617      5.310274      5.014683
  H      -3.124943      4.786703      7.789971
  H      -1.406193      5.024065      7.399987
  H      -5.202285      1.888413      8.041411
  H      -4.981264      3.541939      7.463261
  H      -2.856631      1.304067      7.627890
  H      -3.010334      2.699021      8.720200
  C      -2.161189     -0.081471      5.007024
  N      -3.354851      0.163019      4.469597
  C      -4.168577     -0.699805      3.749817
  O      -5.070712     -0.264727      3.044626
  C      -3.925628     -2.174822      3.889612
  C      -4.002586     -2.974580      2.741235
  C      -3.828213     -4.352860      2.840580
  C      -3.600535     -4.953757      4.081877
  C      -3.548340     -4.147898      5.217981
  Br     -3.265425     -4.952536      6.926075
  C      -3.700838     -2.765226      5.140950
  C      -5.037367      4.909452      4.908028
  N      -5.456480      6.112137      5.251409
  C      -6.705408      6.446270      4.749725
  O      -7.213209      5.974170      3.724604
  C      -7.456955      7.464650      5.561869
  C      -8.697862      7.920666      5.098063
  C      -9.445861      8.816055      5.858610
  C      -8.976014      9.263724      7.096861
  C      -7.740695      8.797638      7.545797
  Br     -7.096744      9.374650      9.257770
  C      -6.970654      7.914196      6.797716
  C      -6.277744      2.097367      5.613774
  N      -7.189239      2.534893      6.436033
  C      -8.512480      2.517859      5.994627
  O      -9.006373      1.642549      5.282778
  C      -9.313513      3.688275      6.485869
  C      -8.843540      4.536741      7.498637
  C      -9.609039      5.625554      7.911701
  C     -10.838100      5.895277      7.307003
  C     -11.287664      5.047926      6.293189
  Br    -12.955245      5.435633      5.437234
  C     -10.552880      3.944118      5.879930
  H      -1.665058     -1.062828      5.042617
  H      -4.204239     -2.502055      1.779875
  H      -3.876861     -4.975430      1.946124
  H      -3.475206     -6.032897      4.164266
  H      -3.686061     -2.161094      6.047887
  H      -5.725897      4.226177      4.391729
  H      -9.063724      7.546232      4.141742
  H     -10.414197      9.165532      5.495983
  H      -9.561144      9.955474      7.702689
  H      -6.007423      7.555438      7.156530
  H      -6.506848      1.782438      4.584543
  H      -7.875567      4.329424      7.952496
  H      -9.241721      6.288349      8.696398
  H     -11.430976      6.757755      7.608944
  H     -10.906450      3.281317      5.090859
  N      -2.934132      2.685469      3.290780
72
Coordinates from ORCA-job orca E -13783.058499140490
  N      -1.630606      1.059802      5.420934
  Mo     -3.210886      2.379135      4.878015
  N      -4.965204      2.058353      5.945690
  C      -4.634902      2.501867      7.311892
  C      -3.144196      2.359944      7.674356
  N      -2.213261      3.146890      6.785685
  C      -0.788026      2.722615      6.898594
  C      -0.607251      1.279508      6.419955
  C      -2.350326      4.626751      7.021274
  C      -2.783588      5.269220      5.720459
  N      -3.830092      4.422132      5.173129
  H       0.407509      1.156022      6.007924
  H      -0.720715      0.561921      7.247955
  H      -0.219959      3.405152      6.252359
  H      -0.433652      2.852707      7.934108
  H      -3.165425      6.290237      5.870139
  H      -1.935010      5.313437      5.014259
  H      -3.112997      4.785843      7.794368
  H      -1.396980      5.026077      7.394402
  H      -5.194169      1.886596      8.034350
  H      -4.975840      3.540362      7.457085
  H      -2.848832      1.304082      7.622648
  H      -3.006677      2.698498      8.714011
  C      -2.157600     -0.076668      5.004008
  N      -3.346766      0.172382      4.460138
  C      -4.168543     -0.687919      3.746365
  O      -5.070663     -0.249815      3.042731
  C      -3.934449     -2.163675      3.891841
  C      -4.010368     -2.968312      2.746635
  C      -3.842094     -4.346837      2.853119
  C      -3.621912     -4.943435      4.097971
  C      -3.571287     -4.132610      5.230571
  Br     -3.299565     -4.930374      6.943752
  C      -3.717379     -2.749492      5.146746
  C      -5.036358      4.908530      4.911021
  N      -5.457703      6.109780      5.257747
  C      -6.705497      6.444815      4.753976
  O      -7.210062      5.975424      3.725824
  C      -7.459361      7.460844      5.566541
  C      -8.699179      7.916930      5.100434
  C      -9.450063      8.810494      5.860274
  C      -8.983532      9.255617      7.100535
  C      -7.748986      8.789784      7.551585
  Br     -7.108677      9.365308      9.264616
  C      -6.976081      7.908012      6.804244
  C      -6.270704      2.092867      5.607146
  N      -7.182852      2.531100      6.428886
  C      -8.505569      2.514907      5.984121
  O      -8.995543      1.642656      5.265713
  C      -9.308344      3.681513      6.479896
  C      -8.841900      4.525922      7.497561
  C      -9.608839      5.613102      7.912398
  C     -10.835981      5.885264      7.305682
  C     -11.282401      5.041296      6.287975
  Br    -12.948065      5.432393      5.430307
  C     -10.546012      3.939338      5.871950
  H      -1.672318     -1.062922      5.050130
  H      -4.205960     -2.499512      1.782096
  H      -3.889553     -4.973351      1.961259
  H      -3.501224     -6.022726      4.185503
  H      -3.703352     -2.141457      6.051111
  H      -5.722164      4.223680      4.393479
  H      -9.061634      7.543547      4.142632
  H     -10.417922      9.160087      5.496717
  H      -9.570455      9.945688      7.706473
  H      -6.013475      7.549046      7.164240
  H      -6.500111      1.779431      4.577309
  H      -7.875175      4.317215      7.952934
  H      -9.243730      6.273601      8.699961
  H     -11.430078      6.747003      7.607907
  H     -10.897718      3.279345      5.080205
  N      -2.924607      2.699345      3.284153
72
Coordinates from ORCA-job orca E -13783.058531660174
  N      -1.623506      1.064509      5.414487
  Mo     -3.203514      2.385057      4.869376
  N      -4.957567      2.058117      5.934385
  C      -4.630559      2.503815      7.300729
  C      -3.140676      2.363258      7.666586
  N      -2.207663      3.150355      6.781307
  C      -0.783287      2.724460      6.896380
  C      -0.603288      1.281049      6.417688
  C      -2.344419      4.629937      7.017512
  C      -2.782438      5.271981      5.717675
  N      -3.829109      4.423512      5.172651
  H       0.412742      1.154223      6.010173
  H      -0.722314      0.564211      7.245611
  H      -0.213833      3.406753      6.250905
  H      -0.429359      2.853195      7.932467
  H      -3.164418      6.292858      5.868144
  H      -1.935501      5.317288      5.009411
  H      -3.104669      4.789364      7.792988
  H      -1.389843      5.029547      7.386859
  H      -5.190250      1.887291      8.021767
  H      -4.972853      3.541523      7.446172
  H      -2.844718      1.307551      7.616402
  H      -3.006868      2.701028      8.707031
  C      -2.155838     -0.071480      5.002726
  N      -3.340763      0.181337      4.452559
  C      -4.168713     -0.677417      3.745063
  O      -5.068965     -0.238170      3.040372
  C      -3.941884     -2.153415      3.896365
  C      -4.014826     -2.962737      2.754538
  C      -3.852780     -4.341360      2.868532
  C      -3.641848     -4.933436      4.117206
  C      -3.594634     -4.117827      5.246346
  Br     -3.336975     -4.908974      6.964901
  C      -3.734289     -2.734600      5.155188
  C      -5.035339      4.910624      4.910799
  N      -5.456312      6.110531      5.261862
  C      -6.704242      6.447677      4.760282
  O      -7.210199      5.981990      3.730600
  C      -7.455731      7.461954      5.576645
  C      -8.695600      7.920510      5.113717
  C      -9.442764      8.815451      5.875963
  C      -8.971773      9.259224      7.115642
  C      -7.737707      8.790106      7.563765
  Br     -7.091163      9.363916      9.275446
  C      -6.968767      7.906721      6.814118
  C      -6.263155      2.089710      5.596029
  N      -7.176246      2.525812      6.418062
  C      -8.499238      2.504422      5.972507
  O      -8.984772      1.632472      5.250378
  C      -9.306344      3.667801      6.468169
  C      -8.844408      4.514211      7.486746
  C      -9.617930      5.596142      7.902247
  C     -10.847539      5.860900      7.296317
  C     -11.288900      5.015903      6.277225
  Br    -12.958277      5.397106      5.421490
  C     -10.545454      3.919306      5.860082
  H      -1.681868     -1.062639      5.057703
  H      -4.203366     -2.497894      1.786729
  H      -3.897855     -4.971820      1.979428
  H      -3.525883     -6.012763      4.210334
  H      -3.723101     -2.122629      6.056888
  H      -5.720769      4.226305      4.392328
  H      -9.060215      7.549286      4.155952
  H     -10.410392      9.167889      5.515260
  H      -9.554300      9.952161      7.723069
  H      -6.006114      7.545594      7.171279
  H      -6.493021      1.774629      4.567407
  H      -7.876849      4.310483      7.942544
  H      -9.257197      6.257273      8.690929
  H     -11.448255      6.716876      7.600440
  H     -10.893581      3.257811      5.067527
  N      -2.918844      2.708455      3.275603
72
Coordinates from ORCA-job orca E -13783.058555223204
  N      -1.621559      1.063743      5.418958
  Mo     -3.194734      2.387568      4.867551
  N      -4.950583      2.054577      5.936109
  C      -4.624908      2.504294      7.301345
  C      -3.135104      2.365674      7.668023
  N      -2.201810      3.151098      6.781662
  C      -0.777915      2.722885      6.898558
  C      -0.600676      1.278379      6.421547
  C      -2.337694      4.630941      7.016228
  C      -2.780448      5.271905      5.717055
  N      -3.826920      4.421391      5.175055
  H       0.414708      1.147836      6.014417
  H      -0.721699      0.563717      7.250643
  H      -0.207040      3.403665      6.252894
  H      -0.424342      2.851257      7.934696
  H      -3.162933      6.292328      5.868423
  H      -1.935061      5.317966      5.007016
  H      -3.096130      4.791255      7.793259
  H      -1.381815      5.030306      7.382287
  H      -5.183772      1.888736      8.023704
  H      -4.968024      3.541945      7.445368
  H      -2.838717      1.310011      7.619312
  H      -3.000672      2.704120      8.708151
  C      -2.155686     -0.070597      5.005850
  N      -3.336217      0.187453      4.448136
  C      -4.169597     -0.667426      3.742669
  O      -5.067776     -0.223914      3.037939
  C      -3.949721     -2.144495      3.894432
  C      -4.024142     -2.954558      2.753225
  C      -3.866027     -4.333715      2.868794
  C      -3.657222     -4.925449      4.118197
  C      -3.609102     -4.109003      5.246883
  Br     -3.354758     -4.899308      6.966643
  C      -3.745123     -2.725468      5.154186
  C      -5.034016      4.906859      4.912276
  N      -5.458144      6.105740      5.262804
  C      -6.705265      6.440361      4.757311
  O      -7.205271      5.975378      3.724657
  C      -7.463421      7.450636      5.572157
  C      -8.702179      7.907241      5.103826
  C      -9.455372      8.799295      5.863126
  C      -8.991697      9.241294      7.105617
  C      -7.758920      8.774042      7.559645
  Br     -7.122776      9.345134      9.275731
  C      -6.983876      7.893932      6.812804
  C      -6.255577      2.088725      5.596945
  N      -7.168568      2.526528      6.418763
  C      -8.489393      2.511268      5.968685
  O      -8.975066      1.644758      5.239907
  C      -9.296821      3.671968      6.470096
  C      -8.835215      4.512639      7.493434
  C      -9.606831      5.594822      7.912910
  C     -10.834535      5.865102      7.307007
  C     -11.276289      5.025250      6.283327
  Br    -12.942505      5.414896      5.427408
  C     -10.534276      3.928908      5.861992
  H      -1.687987     -1.064279      5.065621
  H      -4.210481     -2.490218      1.784601
  H      -3.912022     -4.964954      1.980104
  H      -3.543559     -6.005053      4.212503
  H      -3.733520     -2.112783      6.055606
  H      -5.717005      4.221597      4.391346
  H      -9.061702      7.536681      4.144116
  H     -10.422236      9.150077      5.498524
  H      -9.579026      9.931642      7.710721
  H      -6.022292      7.533880      7.174259
  H      -6.485826      1.773549      4.567303
  H      -7.867991      4.306295      7.948546
  H      -9.245473      6.252928      8.704541
  H     -11.433106      6.722219      7.614235
  H     -10.880804      3.273155      5.064122
  N      -2.900638      2.715683      3.276222
72
Coordinates from ORCA-job orca E -13783.058573060822
  N      -1.622575      1.063379      5.421325
  Mo     -3.190716      2.388539      4.868367
  N      -4.947156      2.055246      5.936581
  C      -4.622538      2.506593      7.301443
  C      -3.133034      2.368730      7.669035
  N      -2.199268      3.152359      6.781090
  C      -0.776103      2.722604      6.900123
  C      -0.600773      1.277617      6.423125
  C      -2.334112      4.632763      7.013982
  C      -2.778144      5.272935      5.714336
  N      -3.825113      4.421888      5.174350
  H       0.414079      1.146286      6.014689
  H      -0.721305      0.563178      7.252607
  H      -0.203619      3.402837      6.255212
  H      -0.424236      2.850334      7.936859
  H      -3.160464      6.293306      5.866202
  H      -1.933266      5.318753      5.003730
  H      -3.092962      4.794094      7.790333
  H      -1.377910      5.031231      7.379850
  H      -5.181568      1.891869      8.024555
  H      -4.965685      3.544524      7.444173
  H      -2.836866      1.312872      7.620310
  H      -2.997089      2.707437      8.708752
  C      -2.156975     -0.070539      5.007333
  N      -3.336338      0.189440      4.447171
  C      -4.171413     -0.664400      3.742732
  O      -5.070537     -0.219548      3.039776
  C      -3.953931     -2.141840      3.895243
  C      -4.030983     -2.952190      2.754735
  C      -3.873753     -4.331470      2.870762
  C      -3.663008     -4.922822      4.120038
  C      -3.612397     -4.106038      5.248275
  Br     -3.354743     -4.895872      6.967853
  C      -3.747869     -2.722586      5.154951
  C      -5.031976      4.907419      4.911309
  N      -5.456067      6.106172      5.261452
  C      -6.703398      6.440187      4.756028
  O      -7.202816      5.975814      3.722713
  C      -7.462473      7.449066      5.571815
  C      -8.701089      7.906265      5.103367
  C      -9.454317      8.797662      5.863277
  C      -8.991092      9.238461      7.106440
  C      -7.758906      8.770100      7.560999
  Br     -7.124604      9.337192      9.279482
  C      -6.983809      7.890830      6.813540
  C      -6.251789      2.091197      5.596193
  N      -7.165846      2.527697      6.417274
  C      -8.485632      2.512490      5.965063
  O      -8.970268      1.647823      5.233397
  C      -9.295379      3.671776      6.466714
  C      -8.835918      4.511444      7.491749
  C      -9.610688      5.590292      7.913699
  C     -10.839138      5.858554      7.308271
  C     -11.278576      5.020301      6.282069
  Br    -12.946115      5.406558      5.427209
  C     -10.533525      3.926917      5.858881
  H      -1.689550     -1.064234      5.068031
  H      -4.218353     -2.488125      1.786119
  H      -3.921676     -4.962949      1.982475
  H      -3.549473     -6.002383      4.214923
  H      -3.734712     -2.109573      6.055982
  H      -5.715386      4.222753      4.389551
  H      -9.060977      7.536941      4.143038
  H     -10.420990      9.148872      5.498344
  H      -9.578440      9.928625      7.711490
  H      -6.022667      7.529934      7.175482
  H      -6.480576      1.775631      4.566891
  H      -7.868381      4.306626      7.946932
  H      -9.251651      6.246922      8.707374
  H     -11.440256      6.712578      7.618779
  H     -10.877817      3.271975      5.058818
  N      -2.896199      2.714991      3.276939
72
Coordinates from ORCA-job orca E -13783.058582364529
  N      -1.622419      1.064424      5.419279
  Mo     -3.189148      2.389124      4.868354
  N      -4.944982      2.054920      5.935482
  C      -4.622061      2.504635      7.301160
  C      -3.132945      2.367062      7.669195
  N      -2.199619      3.151631      6.780992
  C      -0.776586      2.722263      6.901347
  C      -0.600705      1.278186      6.421494
  C      -2.335139      4.632105      7.014464
  C      -2.778815      5.273067      5.714689
  N      -3.825521      4.422096      5.174025
  H       0.413907      1.149495      6.011573
  H      -0.719356      0.561463      7.249187
  H      -0.203277      3.403741      6.258601
  H      -0.426922      2.848367      7.938896
  H      -3.161982      6.292941      5.867806
  H      -1.933647      5.319972      5.004552
  H      -3.095151      4.792612      7.789851
  H      -1.379420      5.030313      7.381726
  H      -5.181830      1.889346      8.023213
  H      -4.965232      3.542596      7.444148
  H      -2.836812      1.311280      7.617800
  H      -2.995222      2.704172      8.709046
  C      -2.157140     -0.069767      5.005889
  N      -3.336037      0.190823      4.444298
  C      -4.173323     -0.663716      3.744016
  O      -5.073583     -0.219569      3.042249
  C      -3.955479     -2.140959      3.897638
  C      -4.035847     -2.952070      2.757996
  C      -3.878612     -4.331317      2.874587
  C      -3.664222     -4.921611      4.123732
  C      -3.610163     -4.104058      5.251260
  Br     -3.346757     -4.892632      6.970712
  C      -3.746086     -2.720786      5.157218
  C      -5.031679      4.908431      4.909966
  N      -5.455417      6.107185      5.259970
  C      -6.702915      6.441234      4.754701
  O      -7.202271      5.977367      3.721177
  C      -7.462379      7.448957      5.571721
  C      -8.700983      7.906867      5.103919
  C      -9.453873      8.797464      5.865165
  C      -8.990742      9.236840      7.108894
  C      -7.758842      8.767312      7.563058
  Br     -7.125314      9.330842      9.283471
  C      -6.984032      7.889058      6.814243
  C      -6.249042      2.093912      5.593238
  N      -7.164053      2.528682      6.414096
  C      -8.483176      2.514101      5.960619
  O      -8.967800      1.650516      5.227665
  C      -9.293889      3.672793      6.462930
  C      -8.834361      4.512132      7.488204
  C      -9.610269      5.589371      7.912256
  C     -10.839910      5.856196      7.308269
  C     -11.279034      5.018941      6.281022
  Br    -12.947534      5.403724      5.427450
  C     -10.532863      3.927192      5.856238
  H      -1.690245     -1.063602      5.066728
  H      -4.225980     -2.488723      1.789611
  H      -3.929434     -4.963338      1.986923
  H      -3.550435     -6.001067      4.219401
  H      -3.730926     -2.107196      6.057796
  H      -5.715601      4.225198      4.386884
  H      -9.061328      7.539429      4.142995
  H     -10.420252      9.149387      5.500139
  H      -9.578081      9.926639      7.714497
  H      -6.023041      7.527547      7.176062
  H      -6.476797      1.779248      4.563349
  H      -7.866107      4.308170      7.942486
  H      -9.251439      6.245519      8.706645
  H     -11.441770      6.708660      7.621260
  H     -10.876544      3.272845      5.055423
  N      -2.894403      2.716328      3.277063
72
Coordinates from ORCA-job orca E -13783.058587625997
  N      -1.621617      1.064771      5.419898
  Mo     -3.185498      2.390730      4.867419
  N      -4.942524      2.056035      5.933695
  C      -4.620724      2.506486      7.299501
  C      -3.132093      2.368975      7.668519
  N      -2.197869      3.152712      6.779967
  C      -0.775194      2.722220      6.902043
  C      -0.600101      1.277867      6.422431
  C      -2.332875      4.633514      7.012761
  C      -2.777188      5.274289      5.713217
  N      -3.823730      4.423220      5.172354
  H       0.414444      1.149113      6.012145
  H      -0.718799      0.560743      7.249841
  H      -0.200119      3.402946      6.260088
  H      -0.427189      2.848343      7.940112
  H      -3.161130      6.293846      5.866746
  H      -1.932295      5.321827      5.002855
  H      -3.092029      4.794358      7.788909
  H      -1.376777      5.031745      7.378995
  H      -5.181360      1.891798      8.021430
  H      -4.964090      3.544574      7.441221
  H      -2.836343      1.313073      7.617781
  H      -2.994302      2.707236      8.707947
  C      -2.157069     -0.068894      5.006251
  N      -3.334329      0.193188      4.441628
  C      -4.172784     -0.661149      3.742437
  O      -5.071989     -0.216505      3.039535
  C      -3.957521     -2.138531      3.898649
  C      -4.038121     -2.950825      2.759812
  C      -3.883512     -4.330218      2.878086
  C      -3.671486     -4.919364      4.128160
  C      -3.617055     -4.100613      5.254794
  Br     -3.356145     -4.887554      6.975364
  C      -3.750611     -2.717202      5.159104
  C      -5.029876      4.909250      4.908185
  N      -5.453651      6.107929      5.258333
  C      -6.701429      6.441970      4.753610
  O      -7.200635      5.978984      3.719777
  C      -7.461230      7.448337      5.572074
  C      -8.700543      7.905687      5.105594
  C      -9.453926      8.794197      5.868803
  C      -8.990706      9.232263      7.113024
  C      -7.757958      8.763433      7.565697
  Br     -7.124353      9.324757      9.286961
  C      -6.982656      7.887217      6.814997
  C      -6.246346      2.095427      5.590439
  N      -7.162210      2.529564      6.410653
  C      -8.481286      2.513689      5.956995
  O      -8.964915      1.649968      5.223616
  C      -9.293375      3.671189      6.460127
  C      -8.834617      4.510296      7.485905
  C      -9.611949      5.586009      7.911327
  C     -10.841994      5.851871      7.307686
  C     -11.280364      5.014807      6.279902
  Br    -12.949864      5.397639      5.427007
  C     -10.533065      3.924246      5.854100
  H      -1.690824     -1.062909      5.068326
  H      -4.226348     -2.488201      1.790699
  H      -3.934633     -4.963078      1.991049
  H      -3.559721     -5.998881      4.225287
  H      -3.735458     -2.102656      6.059014
  H      -5.713942      4.226179      4.385179
  H      -9.061294      7.539344      4.144271
  H     -10.420874      9.145499      5.504556
  H      -9.578760      9.920163      7.720108
  H      -6.021085      7.526283      7.175903
  H      -6.473166      1.780803      4.560587
  H      -7.866123      4.306950      7.939925
  H      -9.254031      6.241543      8.706454
  H     -11.444785      6.703210      7.621817
  H     -10.876685      3.269403      5.053540
  N      -2.888198      2.719174      3.276789
72
Coordinates from ORCA-job orca E -13783.058593599981
  N      -1.618457      1.066332      5.417036
  Mo     -3.181051      2.393498      4.865095
  N      -4.938989      2.056313      5.929339
  C      -4.618754      2.506048      7.296011
  C      -3.130584      2.368467      7.665931
  N      -2.195654      3.153107      6.778272
  C      -0.773191      2.721959      6.901875
  C      -0.597646      1.278043      6.420661
  C      -2.330898      4.633833      7.012344
  C      -2.776254      5.275699      5.713958
  N      -3.822470      4.424983      5.171614
  H       0.417062      1.150907      6.009992
  H      -0.715846      0.558926      7.246487
  H      -0.196379      3.402927      6.261833
  H      -0.427297      2.847281      7.940701
  H      -3.161490      6.294607      5.868873
  H      -1.931763      5.325067      5.003266
  H      -3.088452      4.793644      7.790293
  H      -1.374386      5.032407      7.377215
  H      -5.180448      1.890915      8.016695
  H      -4.962641      3.543985      7.437581
  H      -2.834672      1.312686      7.614914
  H      -2.993250      2.707319      8.705227
  C      -2.155337     -0.066748      5.003323
  N      -3.330390      0.197062      4.435014
  C      -4.171546     -0.657904      3.739721
  O      -5.070411     -0.213715      3.036004
  C      -3.959564     -2.135266      3.901019
  C      -4.041483     -2.950561      2.764279
  C      -3.891117     -4.330028      2.886363
  C      -3.682142     -4.916227      4.138282
  C      -3.626075     -4.094475      5.262602
  Br     -3.368914     -4.877254      6.985612
  C      -3.755430     -2.710857      5.163146
  C      -5.028457      4.910940      4.907054
  N      -5.452471      6.109424      5.257998
  C      -6.700251      6.443862      4.753459
  O      -7.199326      5.981827      3.719217
  C      -7.460587      7.448692      5.573472
  C      -8.700182      7.905943      5.107894
  C      -9.454917      8.791390      5.873526
  C      -8.992911      9.226585      7.119138
  C      -7.759439      8.758327      7.570437
  Br     -7.127082      9.315976      9.293283
  C      -6.982738      7.885188      6.817425
  C      -6.242365      2.097016      5.584029
  N      -7.159371      2.530073      6.403524
  C      -8.478388      2.513496      5.949391
  O      -8.960511      1.650316      5.214451
  C      -9.291847      3.668859      6.455234
  C      -8.833799      4.506729      7.482199
  C      -9.612334      5.580733      7.909899
  C     -10.842798      5.846282      7.306905
  C     -11.280394      5.010350      6.278150
  Br    -12.950399      5.392957      5.425789
  C     -10.532098      3.921349      5.850169
  H      -1.690717     -1.061445      5.066428
  H      -4.227512     -2.489985      1.793813
  H      -3.943510     -4.965096      2.000980
  H      -3.574017     -5.995825      4.238551
  H      -3.739262     -2.093928      6.061404
  H      -5.712438      4.228264      4.383657
  H      -9.060313      7.541724      4.145572
  H     -10.422147      9.142306      5.509661
  H      -9.582518      9.911436      7.728286
  H      -6.020809      7.524672      7.177706
  H      -6.467709      1.784036      4.553336
  H      -7.864885      4.303604      7.935485
  H      -9.254835      6.235390      8.705984
  H     -11.446233      6.696647      7.622435
  H     -10.875730      3.266965      5.049629
  N      -2.881677      2.726252      3.275864
72
Coordinates from ORCA-job orca E -13783.058596763874
  N      -1.617051      1.066616      5.416918
  Mo     -3.177908      2.395318      4.863695
  N      -4.937113      2.057503      5.926923
  C      -4.617754      2.507778      7.293735
  C      -3.129947      2.369840      7.664618
  N      -2.193995      3.153928      6.777388
  C      -0.771908      2.721534      6.902282
  C      -0.596740      1.277392      6.421218
  C      -2.328494      4.634770      7.011476
  C      -2.774521      5.277047      5.713634
  N      -3.820418      4.426384      5.170493
  H       0.418107      1.149848      6.011002
  H      -0.715636      0.558104      7.246810
  H      -0.193811      3.401975      6.262853
  H      -0.426921      2.846724      7.941450
  H      -3.160232      6.295730      5.869009
  H      -1.930270      5.327210      5.002704
  H      -3.084630      4.794843      7.790782
  H      -1.371325      5.033184      7.374883
  H      -5.180215      1.892948      8.014043
  H      -4.961693      3.545739      7.434815
  H      -2.834137      1.314020      7.614724
  H      -2.993513      2.709698      8.703734
  C      -2.154727     -0.065659      5.002136
  N      -3.328199      0.199496      4.431411
  C      -4.170162     -0.655421      3.736888
  O      -5.067241     -0.211226      3.030961
  C      -3.960760     -2.132843      3.901020
  C      -4.042046     -2.949794      2.765295
  C      -3.894767     -4.329329      2.889727
  C      -3.689644     -4.914032      4.142994
  C      -3.634116     -4.090626      5.266141
  Br     -3.382627     -4.871190      6.990962
  C      -3.760223     -2.706833      5.164404
  C      -5.026659      4.911816      4.906127
  N      -5.451272      6.109914      5.257863
  C      -6.699081      6.444229      4.753450
  O      -7.197767      5.982982      3.718751
  C      -7.460068      7.447906      5.574247
  C      -8.700091      7.904428      5.109157
  C      -9.455779      8.788294      5.875803
  C      -8.994160      9.222713      7.121896
  C      -7.760046      8.755465      7.572411
  Br     -7.127700      9.312892      9.295291
  C      -6.982462      7.883747      6.818500
  C      -6.240465      2.097545      5.581180
  N      -7.157751      2.530317      6.400534
  C      -8.477137      2.512160      5.947374
  O      -8.958571      1.648175      5.212952
  C      -9.291297      3.666604      6.454060
  C      -8.833618      4.504726      7.481094
  C      -9.612844      5.578056      7.909253
  C     -10.843710      5.842782      7.306644
  C     -11.280953      5.006484      6.278082
  Br    -12.951668      5.387994      5.426279
  C     -10.531977      3.918080      5.849512
  H      -1.690822     -1.060675      5.065979
  H      -4.225266     -2.490287      1.793804
  H      -3.946721     -4.965660      2.005168
  H      -3.584187     -5.993721      4.245055
  H      -3.744381     -2.088568      6.061808
  H      -5.710105      4.228884      4.382533
  H      -9.059703      7.540759      4.146484
  H     -10.423367      9.138564      5.512352
  H      -9.584462      9.906220      7.732031
  H      -6.020071      7.524039      7.178294
  H      -6.465345      1.785012      4.550245
  H      -7.864415      4.302250      7.933975
  H      -9.255659      6.232763      8.705394
  H     -11.447826      6.692633      7.622296
  H     -10.875745      3.263255      5.049422
  N      -2.875107      2.730862      3.275582
72
Coordinates from ORCA-job orca E -13783.058599229567
  N      -1.615014      1.067269      5.414916
  Mo     -3.175712      2.397110      4.862365
  N      -4.935560      2.058044      5.924073
  C      -4.616861      2.507762      7.291271
  C      -3.129165      2.369557      7.662786
  N      -2.192581      3.154068      6.776625
  C      -0.770744      2.720937      6.902119
  C      -0.595304      1.277044      6.419990
  C      -2.326747      4.634748      7.011855
  C      -2.773366      5.278247      5.714804
  N      -3.818967      4.427891      5.170553
  H       0.419790      1.149791      6.010313
  H      -0.714633      0.557053      7.244946
  H      -0.192096      3.401764      6.263562
  H      -0.426226      2.845243      7.941567
  H      -3.159223      6.296726      5.871143
  H      -1.929223      5.329422      5.003790
  H      -3.081856      4.794389      7.792270
  H      -1.369101      5.032830      7.374422
  H      -5.179620      1.892370      8.010863
  H      -4.960896      3.545555      7.433075
  H      -2.832984      1.313844      7.613050
  H      -2.993765      2.709236      8.702132
  C      -2.153346     -0.064273      4.998755
  N      -3.325821      0.201907      4.426775
  C      -4.168885     -0.653338      3.733890
  O      -5.065496     -0.209636      3.027047
  C      -3.961637     -2.130758      3.901151
  C      -4.043468     -2.949989      2.767055
  C      -3.898877     -4.329491      2.894466
  C      -3.696162     -4.912011      4.149154
  C      -3.640123     -4.086332      5.270600
  Br     -3.392707     -4.863712      6.997363
  C      -3.763170     -2.702467      5.165892
  C      -5.025315      4.913144      4.906309
  N      -5.450594      6.110758      5.259156
  C      -6.698133      6.445118      4.754367
  O      -7.196275      5.984660      3.718986
  C      -7.459925      7.447886      5.575540
  C      -8.699895      7.904193      5.110124
  C      -9.456681      8.786852      5.877142
  C      -8.996054      9.220251      7.123946
  C      -7.761812      8.753544      7.574558
  Br     -7.130479      9.310301      9.297839
  C      -6.983189      7.882927      6.820359
  C      -6.238882      2.097694      5.577805
  N      -7.156349      2.529865      6.397218
  C      -8.475872      2.511084      5.944611
  O      -8.956796      1.647012      5.209969
  C      -9.290567      3.664488      6.452494
  C      -8.833237      4.502366      7.479888
  C      -9.612842      5.575173      7.908535
  C     -10.843954      5.839581      7.306340
  C     -11.280964      5.003346      6.277742
  Br    -12.952034      5.384673      5.426488
  C     -10.531449      3.915532      5.848373
  H      -1.690103     -1.059671      5.062384
  H      -4.225042     -2.492115      1.794490
  H      -3.951141     -4.967625      2.011190
  H      -3.593093     -5.991716      4.253408
  H      -3.746605     -2.082328      6.062029
  H      -5.708065      4.230224      4.381772
  H      -9.058483      7.541025      4.146934
  H     -10.424338      9.136798      5.513639
  H      -9.587065      9.902661      7.734619
  H      -6.020786      7.523493      7.180300
  H      -6.463203      1.786300      4.546385
  H      -7.863745      4.300335      7.932280
  H      -9.255700      6.229863      8.704728
  H     -11.448567      6.689084      7.622140
  H     -10.874999      3.261047      5.047984
  N      -2.871116      2.735685      3.275302
72
Coordinates from ORCA-job orca E -13783.058601982635
  N      -1.613599      1.067463      5.413665
  Mo     -3.173415      2.398869      4.861323
  N      -4.934212      2.059269      5.921322
  C      -4.616118      2.508517      7.288770
  C      -3.128542      2.369925      7.661121
  N      -2.191030      3.154352      6.775986
  C      -0.769616      2.720106      6.902256
  C      -0.594475      1.276309      6.419375
  C      -2.324373      4.634968      7.012012
  C      -2.771491      5.279692      5.715578
  N      -3.816730      4.429619      5.170372
  H       0.420846      1.148699      6.010472
  H      -0.714654      0.556126      7.244066
  H      -0.190325      3.401094      6.264404
  H      -0.425470      2.843405      7.941963
  H      -3.157226      6.298037      5.872920
  H      -1.927331      5.331686      5.004630
  H      -3.078678      4.794595      7.793222
  H      -1.366150      5.032313      7.373855
  H      -5.179112      1.892711      8.007847
  H      -4.959972      3.546254      7.431315
  H      -2.832219      1.314213      7.611628
  H      -2.994158      2.709145      8.700780
  C      -2.152259     -0.063072      4.995222
  N      -3.323804      0.204346      4.422057
  C      -4.167691     -0.650992      3.730325
  O      -5.063387     -0.207621      3.022116
  C      -3.962735     -2.128429      3.900563
  C      -4.045221     -2.950046      2.768226
  C      -3.903188     -4.329493      2.898815
  C      -3.702619     -4.909655      4.154971
  C      -3.646045     -4.081582      5.274658
  Br     -3.402501     -4.855568      7.003427
  C      -3.766172     -2.697730      5.166751
  C      -5.023281      4.914603      4.906511
  N      -5.449409      6.111514      5.260776
  C      -6.696680      6.445792      4.755542
  O      -7.193979      5.986346      3.719227
  C      -7.459572      7.447344      5.577171
  C      -8.699629      7.903165      5.111427
  C      -9.457343      8.784962      5.878495
  C      -8.997374      9.217970      7.125714
  C      -7.763049      8.751858      7.576624
  Br     -7.132405      9.308698      9.300049
  C      -6.983597      7.881955      6.822431
  C      -6.237577      2.097977      5.574923
  N      -7.155143      2.529353      6.394595
  C      -8.474833      2.509426      5.942919
  O      -8.955488      1.644819      5.208705
  C      -9.290221      3.662127      6.451202
  C      -8.833202      4.500417      7.478497
  C      -9.613412      5.572637      7.907283
  C     -10.845114      5.835912      7.305772
  C     -11.281863      4.999267      6.277407
  Br    -12.953721      5.379270      5.427129
  C     -10.531496      3.912165      5.847568
  H      -1.689305     -1.058680      5.058463
  H      -4.225356     -2.493977      1.794539
  H      -3.955783     -4.969593      2.016956
  H      -3.601766     -5.989345      4.261509
  H      -3.748865     -2.075592      6.061530
  H      -5.705179      4.231805      4.380620
  H      -9.057254      7.540192      4.147846
  H     -10.425113      9.134545      5.515015
  H      -9.588772      9.899876      7.736588
  H      -6.021105      7.522902      7.182501
  H      -6.461505      1.787381      4.543192
  H      -7.863245      4.299384      7.930324
  H      -9.256334      6.227779      8.703191
  H     -11.450527      6.684849      7.621608
  H     -10.874596      3.257783      5.046830
  N      -2.866132      2.739898      3.275318
72
Coordinates from ORCA-job orca E -13783.058604702666
  N      -1.612294      1.067726      5.411934
  Mo     -3.171486      2.400526      4.860395
  N      -4.933085      2.060425      5.918476
  C      -4.615476      2.508581      7.286294
  C      -3.127958      2.369670      7.659333
  N      -2.189659      3.154401      6.775417
  C      -0.768581      2.719389      6.902121
  C      -0.593795      1.275833      6.418239
  C      -2.322458      4.634895      7.012590
  C      -2.769796      5.281031      5.716709
  N      -3.814645      4.431311      5.170551
  H       0.421781      1.147974      6.010135
  H      -0.714796      0.555439      7.242649
  H      -0.188877      3.400751      6.265010
  H      -0.424740      2.841437      7.942084
  H      -3.155391      6.299212      5.875288
  H      -1.925463      5.333875      5.006019
  H      -3.076631      4.794166      7.794005
  H      -1.363944      5.031437      7.374475
  H      -5.178483      1.892059      8.004785
  H      -4.959134      3.546232      7.429922
  H      -2.831601      1.313952      7.609330
  H      -2.994311      2.707685      8.699485
  C      -2.151060     -0.061872      4.991192
  N      -3.321963      0.206708      4.417190
  C      -4.166917     -0.648695      3.727032
  O      -5.062297     -0.205599      3.018196
  C      -3.964053     -2.126121      3.900187
  C      -4.048164     -2.950309      2.769869
  C      -3.908136     -4.329675      2.903774
  C      -3.708129     -4.907163      4.161284
  C      -3.650101     -4.076496      5.279029
  Br     -3.407850     -4.846698      7.009625
  C      -3.768028     -2.692756      5.167745
  C      -5.021316      4.916155      4.906982
  N      -5.448206      6.112331      5.262787
  C      -6.695155      6.446747      4.756978
  O      -7.191471      5.988497      3.719560
  C      -7.459040      7.447125      5.579142
  C      -8.699131      7.902655      5.113107
  C      -9.457437      8.783879      5.880133
  C      -8.997942      9.216571      7.127638
  C      -7.763697      8.750690      7.578988
  Br     -7.133839      9.307097      9.302793
  C      -6.983709      7.881290      6.824833
  C      -6.236427      2.098305      5.571947
  N      -7.154241      2.528504      6.391903
  C      -8.473866      2.507786      5.940641
  O      -8.954296      1.642947      5.206548
  C      -9.290095      3.659812      6.449140
  C      -8.833370      4.498390      7.476354
  C      -9.614248      5.569938      7.905427
  C     -10.846513      5.832115      7.304660
  C     -11.283083      4.995150      6.276393
  Br    -12.955877      5.373484      5.427367
  C     -10.531856      3.908831      5.846075
  H      -1.688404     -1.057670      5.053854
  H      -4.227974     -2.496311      1.795128
  H      -3.961786     -4.971938      2.023531
  H      -3.608897     -5.986767      4.270235
  H      -3.749436     -2.068444      6.061009
  H      -5.702465      4.233771      4.379426
  H      -9.056079      7.539826      4.149181
  H     -10.425291      9.133279      5.516690
  H      -9.589564      9.898197      7.738528
  H      -6.021245      7.522307      7.185061
  H      -6.459949      1.788433      4.539956
  H      -7.862996      4.298267      7.927670
  H      -9.257298      6.225397      8.701107
  H     -11.452658      6.680435      7.620761
  H     -10.874459      3.254572      5.044872
  N      -2.862059      2.743323      3.275232
72
Coordinates from ORCA-job orca E -13783.058607054212
  N      -1.611811      1.067696      5.411106
  Mo     -3.169943      2.401790      4.859760
  N      -4.932290      2.061697      5.916289
  C      -4.615004      2.508940      7.284393
  C      -3.127567      2.369738      7.657998
  N      -2.188552      3.154564      6.774937
  C      -0.767730      2.718983      6.901829
  C      -0.593698      1.275474      6.417694
  C      -2.320894      4.635027      7.012864
  C      -2.768169      5.282098      5.717263
  N      -3.812737      4.432654      5.170547
  H       0.422041      1.147008      6.010228
  H      -0.715511      0.555298      7.242184
  H      -0.187647      3.400309      6.265036
  H      -0.424092      2.840306      7.941941
  H      -3.153709      6.300140      5.876793
  H      -1.923645      5.335467      5.006850
  H      -3.075353      4.794049      7.794047
  H      -1.362296      5.030890      7.375182
  H      -5.178032      1.891984      8.002518
  H      -4.958442      3.546592      7.428635
  H      -2.831551      1.313924      7.607431
  H      -2.994248      2.706748      8.698500
  C      -2.150362     -0.061122      4.988312
  N      -3.320759      0.208450      4.413529
  C      -4.166631     -0.646762      3.724500
  O      -5.061646     -0.203595      3.015184
  C      -3.965514     -2.124189      3.899863
  C      -4.051342     -2.950428      2.771207
  C      -3.912561     -4.329728      2.907735
  C      -3.712102     -4.904978      4.166224
  C      -3.652490     -4.072234      5.282396
  Br     -3.409522     -4.839313      7.014305
  C      -3.769269     -2.688644      5.168435
  C      -5.019528      4.917361      4.907296
  N      -5.446911      6.112951      5.264378
  C      -6.693691      6.447619      4.758225
  O      -7.189217      5.990409      3.719921
  C      -7.458229      7.446942      5.581064
  C      -8.698516      7.902147      5.115169
  C      -9.456979      8.783007      5.882317
  C      -8.997461      9.215659      7.129806
  C      -7.763186      8.749886      7.581267
  Br     -7.133528      9.305938      9.305311
  C      -6.983061      7.880835      6.826945
  C      -6.235595      2.098662      5.569808
  N      -7.153774      2.527736      6.389946
  C      -8.473284      2.506130      5.938794
  O      -8.953443      1.640950      5.204910
  C      -9.290385      3.657772      6.446992
  C      -8.833926      4.496869      7.473910
  C      -9.615587      5.567763      7.903164
  C     -10.848427      5.828636      7.303018
  C     -11.284709      4.991279      6.274847
  Br    -12.958341      5.367641      5.426814
  C     -10.532627      3.905683      5.844367
  H      -1.687769     -1.056945      5.050715
  H      -4.231431     -2.498186      1.795675
  H      -3.967439     -4.973740      2.028838
  H      -3.613722     -5.984465      4.277139
  H      -3.749579     -2.062589      6.060460
  H      -5.700285      4.235461      4.378534
  H      -9.055310      7.539470      4.151102
  H     -10.424964      9.132313      5.519086
  H      -9.589112      9.897231      7.740676
  H      -6.020483      7.521948      7.187035
  H      -6.458912      1.788829      4.537789
  H      -7.863165      4.297690      7.924893
  H      -9.258799      6.223740      8.698534
  H     -11.455198      6.676398      7.619334
  H     -10.874790      3.251242      5.043046
  N      -2.858455      2.745203      3.275169
72
Coordinates from ORCA-job orca E -13783.058609213231
  N      -1.611456      1.067831      5.410124
  Mo     -3.168662      2.403011      4.859070
  N      -4.931588      2.062856      5.914303
  C      -4.614518      2.508963      7.282799
  C      -3.127169      2.369405      7.656771
  N      -2.187647      3.154638      6.774525
  C      -0.766925      2.718846      6.901155
  C      -0.593622      1.275410      6.416946
  C      -2.319867      4.635026      7.013442
  C      -2.766694      5.282971      5.718058
  N      -3.811062      4.433866      5.170755
  H       0.422239      1.146418      6.009972
  H      -0.716132      0.555425      7.241483
  H      -0.186657      3.400086      6.264489
  H      -0.423331      2.839752      7.941324
  H      -3.152341      6.300847      5.878426
  H      -1.921945      5.336801      5.007967
  H      -3.074983      4.793494      7.794092
  H      -1.361458      5.030383      7.376738
  H      -5.177603      1.891557      8.000488
  H      -4.957843      3.546596      7.427541
  H      -2.831680      1.313490      7.605288
  H      -2.993923      2.705403      8.697581
  C      -2.149852     -0.060452      4.985943
  N      -3.319867      0.209923      4.410561
  C      -4.166903     -0.645003      3.722808
  O      -5.061785     -0.201597      3.013423
  C      -3.967270     -2.122426      3.900022
  C      -4.055267     -2.950457      2.772859
  C      -3.917218     -4.329701      2.911569
  C      -3.715187     -4.902947      4.170750
  C      -3.653490     -4.068393      5.285500
  Br     -3.407704     -4.832651      7.018367
  C      -3.769868     -2.684953      5.169315
  C      -5.017904      4.918491      4.907584
  N      -5.445592      6.113653      5.265705
  C      -6.692259      6.448717      4.759270
  O      -7.187074      5.992499      3.720191
  C      -7.457201      7.447122      5.582831
  C      -8.697721      7.902038      5.117293
  C      -9.456240      8.782470      5.884790
  C      -8.996623      9.214998      7.132236
  C      -7.762230      8.749285      7.583560
  Br     -7.132689      9.304683      9.307916
  C      -6.982038      7.880698      6.828843
  C      -6.234818      2.098973      5.567858
  N      -7.153491      2.526833      6.388097
  C      -8.472810      2.504557      5.936620
  O      -8.952529      1.639161      5.202705
  C      -9.290738      3.655861      6.444498
  C      -8.834572      4.495386      7.471158
  C      -9.617008      5.565681      7.900635
  C     -10.850201      5.825525      7.300834
  C     -11.286203      4.987789      6.272726
  Br    -12.960561      5.362241      5.425436
  C     -10.533419      3.902744      5.842236
  H      -1.687501     -1.056346      5.048364
  H      -4.236333     -2.499812      1.796741
  H      -3.973799     -4.975209      2.033867
  H      -3.617107     -5.982304      4.283393
  H      -3.748907     -2.057396      6.060252
  H      -5.698519      4.237090      4.377976
  H      -9.054662      7.539592      4.153147
  H     -10.424378      9.131678      5.521804
  H      -9.588418      9.896351      7.743167
  H      -6.019304      7.521909      7.188662
  H      -6.458002      1.788966      4.535846
  H      -7.863620      4.296885      7.922049
  H      -9.260576      6.221925      8.695867
  H     -11.457435      6.672828      7.617416
  H     -10.875397      3.247787      5.041196
  N      -2.855741      2.746542      3.274787
72
Coordinates from ORCA-job orca E -13783.058611325434
  N      -1.611462      1.067968      5.409630
  Mo     -3.167398      2.404260      4.858293
  N      -4.930830      2.064132      5.912535
  C      -4.614026      2.509345      7.281440
  C      -3.126826      2.369380      7.655793
  N      -2.186878      3.154906      6.774082
  C      -0.766171      2.718997      6.900226
  C      -0.593691      1.275479      6.416534
  C      -2.319054      4.635248      7.013844
  C      -2.765164      5.283815      5.718573
  N      -3.809444      4.435016      5.170754
  H       0.422217      1.145759      6.009879
  H      -0.716849      0.555864      7.241286
  H      -0.185811      3.399837      6.263272
  H      -0.422404      2.840111      7.940311
  H      -3.151037      6.301541      5.879472
  H      -1.920235      5.337915      5.008754
  H      -3.074890      4.793180      7.793889
  H      -1.360942      5.030242      7.378284
  H      -5.177370      1.891693      7.998689
  H      -4.957339      3.546971      7.426294
  H      -2.832002      1.313346      7.603600
  H      -2.993570      2.704890      8.696727
  C      -2.149613     -0.059920      4.984339
  N      -3.319153      0.211111      4.408251
  C      -4.167376     -0.643378      3.721509
  O      -5.061913     -0.199524      3.011962
  C      -3.969275     -2.120814      3.900387
  C      -4.059525     -2.950393      2.774532
  C      -3.922063     -4.329581      2.915074
  C      -3.718105     -4.901089      4.174774
  C      -3.654202     -4.064986      5.288242
  Br     -3.404755     -4.826698      7.021881
  C      -3.770486     -2.681682      5.170207
  C      -5.016337      4.919572      4.907632
  N      -5.444088      6.114488      5.266494
  C      -6.690792      6.449981      4.760100
  O      -7.185278      5.994550      3.720557
  C      -7.455826      7.447552      5.584530
  C      -8.696712      7.902154      5.119749
  C      -9.455210      8.781932      5.888004
  C      -8.995288      9.214182      7.135370
  C      -7.760544      8.748645      7.586040
  Br     -7.130663      9.303351      9.310551
  C      -6.980363      7.880749      6.830552
  C      -6.234021      2.099134      5.566213
  N      -7.153250      2.525874      6.386462
  C      -8.472422      2.502742      5.934464
  O      -8.951424      1.637028      5.200463
  C      -9.291235      3.653668      6.441948
  C      -8.835522      4.493783      7.468274
  C      -9.618847      5.563509      7.897788
  C     -10.852315      5.822208      7.298049
  C     -11.287782      4.984004      6.270059
  Br    -12.962513      5.356714      5.422874
  C     -10.534231      3.899452      5.839817
  H      -1.687313     -1.055763      5.047252
  H      -4.241695     -2.501155      1.797950
  H      -3.980514     -4.976317      2.038393
  H      -3.620095     -5.980310      4.288967
  H      -3.748275     -2.052861      6.060207
  H      -5.697084      4.238576      4.377747
  H      -9.054099      7.540138      4.155616
  H     -10.423579      9.130987      5.525438
  H      -9.587268      9.895090      7.746613
  H      -6.017310      7.522210      7.189794
  H      -6.457193      1.788538      4.534322
  H      -7.864387      4.296099      7.919221
  H      -9.262826      6.220279      8.692830
  H     -11.459989      6.669159      7.614706
  H     -10.875962      3.243769      5.039378
  N      -2.853002      2.747653      3.274275
72
Coordinates from ORCA-job orca E -13783.058614760814
  N      -1.611173      1.068608      5.408339
  Mo     -3.166034      2.405981      4.857200
  N      -4.929745      2.065404      5.910613
  C      -4.613251      2.509343      7.280134
  C      -3.126211      2.368786      7.654772
  N      -2.186034      3.155045      6.773726
  C      -0.765223      2.719192      6.898892
  C      -0.593325      1.275767      6.415365
  C      -2.318340      4.635217      7.014938
  C      -2.763332      5.284779      5.719909
  N      -3.807606      4.436501      5.171179
  H       0.422570      1.145620      6.008801
  H      -0.716935      0.556135      7.240005
  H      -0.185075      3.399834      6.261584
  H      -0.420929      2.840588      7.938766
  H      -3.149447      6.302355      5.881328
  H      -1.918177      5.339202      5.010415
  H      -3.075003      4.792250      7.794340
  H      -1.360666      5.029843      7.380947
  H      -5.177008      1.891249      7.996632
  H      -4.956685      3.546881      7.425316
  H      -2.831979      1.312692      7.601571
  H      -2.992970      2.703774      8.695851
  C      -2.149360     -0.059071      4.982468
  N      -3.318465      0.212482      4.405910
  C      -4.168429     -0.641576      3.720716
  O      -5.062812     -0.197248      3.011313
  C      -3.971927     -2.119027      3.901363
  C      -4.065533     -2.950273      2.776956
  C      -3.928652     -4.329396      2.919284
  C      -3.721544     -4.899132      4.179345
  C      -3.654339     -4.061384      5.291364
  Br     -3.399394     -4.820318      7.025682
  C      -3.770616     -2.678186      5.171537
  C      -5.014450      4.921104      4.907825
  N      -5.442238      6.115868      5.267260
  C      -6.688960      6.451751      4.760858
  O      -7.183032      5.997170      3.720824
  C      -7.454262      7.448352      5.586157
  C      -8.695474      7.902590      5.122031
  C      -9.454388      8.781236      5.891280
  C      -8.994617      9.212805      7.138873
  C      -7.759436      8.747648      7.588822
  Br     -7.129606      9.301423      9.313656
  C      -6.978852      7.880895      6.832392
  C      -6.232895      2.099210      5.564303
  N      -7.152771      2.524608      6.384562
  C      -8.471774      2.500784      5.931697
  O      -8.949737      1.634923      5.197200
  C      -9.291439      3.651243      6.438973
  C      -8.836364      4.491910      7.465080
  C      -9.620604      5.561100      7.894529
  C     -10.854119      5.818867      7.294488
  C     -11.288940      4.980112      6.266661
  Br    -12.963955      5.351167      5.419239
  C     -10.534644      3.895919      5.836805
  H      -1.687252     -1.054924      5.046173
  H      -4.249650     -2.502495      1.800044
  H      -3.989923     -4.977346      2.043669
  H      -3.623486     -5.978217      4.295143
  H      -3.746329     -2.048086      6.060576
  H      -5.695385      4.240450      4.377809
  H      -9.053103      7.541262      4.157756
  H     -10.422967      9.129986      5.528969
  H      -9.587198      9.892792      7.750604
  H      -6.015467      7.522773      7.191133
  H      -6.455985      1.788280      4.532391
  H      -7.865251      4.294917      7.916333
  H      -9.265325      6.218109      8.689605
  H     -11.462267      6.665471      7.611184
  H     -10.876224      3.239217      5.037218
  N      -2.850880      2.749516      3.273324
72
Coordinates from ORCA-job orca E -13783.058619153897
  N      -1.610892      1.069721      5.406858
  Mo     -3.164332      2.408260      4.855598
  N      -4.928229      2.067009      5.908254
  C      -4.612376      2.509662      7.278539
  C      -3.125596      2.368449      7.653716
  N      -2.185236      3.155445      6.773276
  C      -0.764272      2.719618      6.897361
  C      -0.592789      1.276305      6.413968
  C      -2.317643      4.635408      7.016040
  C      -2.761190      5.286106      5.721272
  N      -3.805478      4.438388      5.171310
  H       0.423036      1.145802      6.007276
  H      -0.716715      0.556464      7.238391
  H      -0.184528      3.400076      6.259480
  H      -0.419151      2.841578      7.936904
  H      -3.147534      6.303567      5.883008
  H      -1.915758      5.340800      5.012171
  H      -3.075102      4.791543      7.794828
  H      -1.360445      5.029641      7.383792
  H      -5.176882      1.891076      7.993984
  H      -4.956043      3.547055      7.424080
  H      -2.831765      1.312352      7.599709
  H      -2.992599      2.703257      8.694865
  C      -2.149024     -0.057855      4.980489
  N      -3.317495      0.214003      4.403259
  C      -4.169410     -0.639641      3.719755
  O      -5.063355     -0.194802      3.010232
  C      -3.975023     -2.117085      3.902696
  C      -4.072941     -2.950309      2.780059
  C      -3.937127     -4.329320      2.924481
  C      -3.726338     -4.897053      4.184941
  C      -3.654923     -4.057371      5.295156
  Br     -3.393788     -4.812957      7.030323
  C      -3.770707     -2.674288      5.173238
  C      -5.012264      4.923133      4.907760
  N      -5.439901      6.117851      5.267604
  C      -6.686790      6.454071      4.761637
  O      -7.180945      6.000289      3.721372
  C      -7.452158      7.449609      5.588115
  C      -8.693773      7.903615      5.125001
  C      -9.453192      8.780586      5.895846
  C      -8.993529      9.210859      7.143888
  C      -7.757699      8.746189      7.592547
  Br     -7.127594      9.298601      9.317667
  C      -6.976654      7.881068      6.834643
  C      -6.231416      2.099070      5.561968
  N      -7.152007      2.522927      6.382259
  C      -8.470876      2.498120      5.928298
  O      -8.947345      1.632081      5.193063
  C      -9.291693      3.647731      6.435503
  C      -8.837650      4.489136      7.461399
  C      -9.623008      5.557760      7.890425
  C     -10.856531      5.814302      7.289781
  C     -11.290282      4.974820      6.262228
  Br    -12.965171      5.344391      5.413817
  C     -10.534940      3.891083      5.832972
  H      -1.686544     -1.053422      5.045723
  H      -4.259365     -2.504174      1.802812
  H      -4.001996     -4.978608      2.050107
  H      -3.628524     -5.975976      4.302650
  H      -3.743587     -2.042761      6.061166
  H      -5.693488      4.242734      4.377896
  H      -9.051727      7.543420      4.160489
  H     -10.422064      9.128996      5.534020
  H      -9.586762      9.889429      7.756614
  H      -6.012823      7.523424      7.192601
  H      -6.454355      1.787887      4.530012
  H      -7.866475      4.293265      7.913038
  H      -9.268537      6.215475      8.685412
  H     -11.465329      6.660592      7.606209
  H     -10.875904      3.233422      5.034156
  N      -2.848344      2.752408      3.272006
72
Coordinates from ORCA-job orca E -13783.058626054719
  N      -1.609640      1.072289      5.402845
  Mo     -3.162332      2.411764      4.853056
  N      -4.925925      2.068661      5.904909
  C      -4.610984      2.508885      7.276390
  C      -3.124445      2.366853      7.652072
  N      -2.184189      3.155554      6.772867
  C      -0.762930      2.719963      6.895266
  C      -0.591151      1.277416      6.410204
  C      -2.316852      4.635013      7.018465
  C      -2.758423      5.287951      5.724334
  N      -3.802718      4.441281      5.172143
  H       0.424540      1.147637      6.002924
  H      -0.714819      0.556146      7.233416
  H      -0.184116      3.401186      6.257297
  H      -0.416532      2.841648      7.934416
  H      -3.144782      6.305307      5.886711
  H      -1.912493      5.343231      5.015890
  H      -3.075259      4.789645      7.796612
  H      -1.360263      5.028610      7.388601
  H      -5.176408      1.889071      7.990019
  H      -4.955029      3.545936      7.423327
  H      -2.830480      1.310932      7.596513
  H      -2.991981      2.700752      8.693580
  C      -2.148130     -0.055464      4.976684
  N      -3.316111      0.216331      4.399226
  C      -4.170985     -0.637274      3.718996
  O      -5.064962     -0.192247      3.009777
  C      -3.979145     -2.114635      3.905254
  C      -4.084217     -2.950751      2.785300
  C      -3.950077     -4.329582      2.932626
  C      -3.733344     -4.894516      4.193492
  C      -3.654966     -4.052018      5.301013
  Br     -3.384819     -4.802854      7.037241
  C      -3.769538     -2.669057      5.176172
  C      -5.009281      4.926508      4.908224
  N      -5.436858      6.121109      5.268617
  C      -6.683764      6.457603      4.762947
  O      -7.177702      6.005069      3.722138
  C      -7.449823      7.451524      5.590764
  C      -8.691571      7.905539      5.128166
  C      -9.452332      8.779936      5.900904
  C      -8.993824      9.207769      7.150208
  C      -7.757491      8.743593      7.597875
  Br     -7.128209      9.293690      9.323912
  C      -6.975209      7.880910      6.838281
  C      -6.229108      2.098840      5.558238
  N      -7.150638      2.520353      6.378673
  C      -8.469253      2.494889      5.923009
  O      -8.943700      1.629213      5.186035
  C      -9.291338      3.643389      6.430524
  C      -8.838680      4.485418      7.456515
  C      -9.625209      5.553441      7.884912
  C     -10.858526      5.808932      7.283285
  C     -11.291009      4.968654      6.256007
  Br    -12.965853      5.336653      5.406410
  C     -10.534485      3.885388      5.827362
  H      -1.685026     -1.050620      5.044128
  H      -4.274738     -2.506862      1.807782
  H      -4.020772     -4.980776      2.060090
  H      -3.636195     -5.973250      4.313798
  H      -3.737309     -2.035540      6.062518
  H      -5.690651      4.246419      4.378132
  H      -9.049025      7.547250      4.162837
  H     -10.421306      9.128061      5.539173
  H      -9.588288      9.884158      7.764281
  H      -6.011100      7.523695      7.195825
  H      -6.451445      1.788616      4.525767
  H      -7.867692      4.290571      7.908836
  H      -9.272030      6.211432      8.680124
  H     -11.468208      6.654761      7.599395
  H     -10.874619      3.226747      5.029065
  N      -2.847124      2.757565      3.269614
72
Coordinates from ORCA-job orca E -13783.058648244931
  N      -1.608608      1.077511      5.396116
  Mo     -3.161559      2.416292      4.849111
  N      -4.924309      2.068868      5.899739
  C      -4.610981      2.504891      7.273130
  C      -3.124759      2.362758      7.649595
  N      -2.185304      3.155193      6.772786
  C      -0.763338      2.721272      6.892841
  C      -0.589977      1.280526      6.404178
  C      -2.319055      4.633627      7.023135
  C      -2.756889      5.290027      5.729899
  N      -3.800548      4.444753      5.173954
  H       0.425721      1.152974      5.996109
  H      -0.712802      0.556424      7.225076
  H      -0.186349      3.404672      6.255425
  H      -0.415475      2.841883      7.931645
  H      -3.143544      6.307117      5.893232
  H      -1.909756      5.346431      5.023021
  H      -3.079646      4.785505      7.799656
  H      -1.363802      5.026410      7.397719
  H      -5.177366      1.882584      7.983773
  H      -4.956162      3.541176      7.422640
  H      -2.829711      1.307354      7.591092
  H      -2.993342      2.694589      8.691882
  C      -2.145701     -0.051369      4.970867
  N      -3.313273      0.218152      4.392500
  C      -4.171243     -0.636664      3.717288
  O      -5.064477     -0.192413      3.006774
  C      -3.981534     -2.113705      3.907958
  C      -4.091483     -2.952794      2.790652
  C      -3.959221     -4.331351      2.941072
  C      -3.739413     -4.893523      4.202656
  C      -3.656444     -4.048201      5.307498
  Br     -3.381941     -4.794238      7.045352
  C      -3.769320     -2.665380      5.179576
  C      -5.006683      4.930688      4.909149
  N      -5.434030      6.125296      5.269665
  C      -6.680252      6.462817      4.763083
  O      -7.173100      6.012115      3.721089
  C      -7.446378      7.457075      5.590494
  C      -8.686053      7.914285      5.125580
  C      -9.447434      8.788370      5.898291
  C      -8.991707      9.212786      7.149807
  C      -7.757130      8.745806      7.599373
  Br     -7.131060      9.292143      9.327710
  C      -6.974250      7.883373      6.839976
  C      -6.227466      2.097643      5.552735
  N      -7.149979      2.514636      6.374406
  C      -8.468239      2.490452      5.916275
  O      -8.940682      1.627585      5.174803
  C      -9.291461      3.636121      6.428026
  C      -8.839922      4.475487      7.456663
  C      -9.627443      5.541617      7.887886
  C     -10.860810      5.797848      7.286533
  C     -11.292247      4.960091      6.256978
  Br    -12.967310      5.329114      5.407881
  C     -10.534640      3.878711      5.825257
  H      -1.677416     -1.043583      5.046118
  H      -4.284118     -2.511160      1.812585
  H      -4.033989     -4.984296      2.070238
  H      -3.643445     -5.972015      4.325865
  H      -3.734582     -2.030143      6.064507
  H      -5.687873      4.251215      4.378081
  H      -9.041855      7.558866      4.158627
  H     -10.414722      9.138765      5.534276
  H      -9.586968      9.888657      7.763720
  H      -6.011576      7.524156      7.199370
  H      -6.449073      1.791401      4.518924
  H      -7.868959      4.280295      7.908808
  H      -9.275196      6.197659      8.685108
  H     -11.471153      6.642320      7.605117
  H     -10.873904      3.221810      5.025221
  N      -2.848182      2.764955      3.265838
72
Coordinates from ORCA-job orca E -13783.058638624292
  N      -1.611426      1.084401      5.385583
  Mo     -3.169839      2.416227      4.843664
  N      -4.928219      2.064543      5.898953
  C      -4.613956      2.501601      7.271818
  C      -3.127091      2.361682      7.646353
  N      -2.190859      3.156097      6.768112
  C      -0.767792      2.725564      6.885077
  C      -0.591105      1.287061      6.392436
  C      -2.324862      4.633863      7.019718
  C      -2.761765      5.290189      5.726852
  N      -3.805640      4.444548      5.172392
  H       0.423991      1.163850      5.981304
  H      -0.709793      0.559825      7.211315
  H      -0.194276      3.411926      6.247454
  H      -0.417438      2.845561      7.923156
  H      -3.148047      6.307549      5.889146
  H      -1.914979      5.345852      5.019481
  H      -3.085395      4.785336      7.796367
  H      -1.369825      5.026866      7.394781
  H      -5.179410      1.878867      7.982808
  H      -4.960330      3.537414      7.421666
  H      -2.829428      1.306988      7.587630
  H      -2.995096      2.694090      8.688410
  C      -2.144524     -0.048387      4.966952
  N      -3.314531      0.212643      4.390482
  C      -4.172227     -0.647827      3.721751
  O      -5.067952     -0.208738      3.011223
  C      -3.976914     -2.123731      3.914597
  C      -4.084969     -2.963485      2.797759
  C      -3.949704     -4.341422      2.948139
  C      -3.729543     -4.903079      4.209598
  C      -3.648485     -4.057307      5.313959
  Br     -3.375833     -4.802376      7.052108
  C      -3.763182     -2.674719      5.186047
  C      -5.013017      4.930046      4.912233
  N      -5.439616      6.124432      5.273837
  C      -6.689502      6.459846      4.775599
  O      -7.189705      6.007136      3.738065
  C      -7.452629      7.451264      5.609322
  C      -8.695506      7.907950      5.152311
  C      -9.453887      8.779073      5.931416
  C      -8.991914      9.200797      7.181756
  C      -7.754282      8.734331      7.623242
  Br     -7.119113      9.277630      9.349192
  C      -6.974330      7.874908      6.857386
  C      -6.231906      2.093405      5.553239
  N      -7.153007      2.513122      6.375081
  C      -8.471579      2.490785      5.916513
  O      -8.946182      1.625546      5.179285
  C      -9.289164      3.645397      6.416488
  C      -8.833251      4.495091      7.434710
  C      -9.614765      5.570971      7.852035
  C     -10.847136      5.825913      7.247993
  C     -11.283090      4.977413      6.229512
  Br    -12.956576      5.344724      5.376288
  C     -10.530991      3.887015      5.810745
  H      -1.661044     -1.031987      5.059502
  H      -4.278709     -2.522262      1.819943
  H      -4.023043     -4.994248      2.077285
  H      -3.632148     -5.981281      4.333094
  H      -3.730233     -2.039820      6.071120
  H      -5.696016      4.249140      4.385389
  H      -9.055874      7.554826      4.186219
  H     -10.423448      9.129162      5.573241
  H      -9.584347      9.874483      7.800787
  H      -6.009216      7.516253      7.210806
  H      -6.454104      1.789544      4.519058
  H      -7.863027      4.300907      7.888743
  H      -9.258731      6.235549      8.640566
  H     -11.453279      6.677336      7.556065
  H     -10.873062      3.222639      5.018048
  N      -2.865024      2.765801      3.258806
72
Coordinates from ORCA-job orca E -13783.058692174833
  N      -1.613403      1.081075      5.390580
  Mo     -3.174188      2.410821      4.848141
  N      -4.933688      2.060816      5.902903
  C      -4.619113      2.497986      7.275373
  C      -3.132190      2.358059      7.650107
  N      -2.195256      3.151955      6.773013
  C      -0.772606      2.720564      6.894007
  C      -0.594667      1.282361      6.398759
  C      -2.329329      4.629825      7.023071
  C      -2.765970      5.285492      5.729250
  N      -3.809779      4.440253      5.173996
  H       0.420956      1.159960      5.988867
  H      -0.714049      0.554225      7.216701
  H      -0.196889      3.408334      6.259929
  H      -0.425851      2.837233      7.933656
  H      -3.151049      6.303360      5.890887
  H      -1.918049      5.340445      5.023063
  H      -3.090086      4.782622      7.799312
  H      -1.374004      5.022801      7.397312
  H      -5.184064      1.875502      7.987072
  H      -4.964491      3.534059      7.425861
  H      -2.833855      1.303372      7.591744
  H      -3.000693      2.688928      8.692779
  C      -2.147694     -0.052270      4.973092
  N      -3.317380      0.209000      4.395908
  C      -4.168869     -0.651843      3.720618
  O      -5.070893     -0.213850      3.017157
  C      -3.967652     -2.127554      3.907585
  C      -4.074116     -2.963576      2.787904
  C      -3.934400     -4.341600      2.933380
  C      -3.711820     -4.906665      4.192683
  C      -3.631072     -4.064323      5.299941
  Br     -3.356394     -4.815712      7.034236
  C      -3.748689     -2.681582      5.176735
  C      -5.015561      4.927928      4.910699
  N      -5.440657      6.123654      5.269585
  C      -6.687426      6.461722      4.765867
  O      -7.186773      6.005198      3.729401
  C      -7.449575      7.459687      5.592686
  C      -8.689264      7.919074      5.129427
  C      -9.446133      8.797633      5.901218
  C      -8.985750      9.223876      7.150696
  C      -7.751708      8.754351      7.598895
  Br     -7.119836      9.302783      9.324519
  C      -6.973189      7.887541      6.840131
  C      -6.237034      2.096509      5.555456
  N      -7.157315      2.517174      6.377627
  C      -8.475945      2.497855      5.920587
  O      -8.952475      1.635485      5.181273
  C      -9.294416      3.647593      6.430413
  C      -8.839164      4.488024      7.456716
  C      -9.622024      5.558508      7.884808
  C     -10.855137      5.817510      7.284263
  C     -11.290499      4.978324      6.257557
  Br    -12.965341      5.351130      5.409714
  C     -10.537019      3.893268      5.827718
  H      -1.667288     -1.037793      5.062435
  H      -4.270848     -2.519343      1.812034
  H      -4.006126     -4.992151      2.060648
  H      -3.612126     -5.985134      4.311727
  H      -3.712658     -2.048765      6.063363
  H      -5.697559      4.248056      4.380996
  H      -9.047651      7.561843      4.163986
  H     -10.413367      9.150011      5.539007
  H      -9.576445      9.903537      7.764736
  H      -6.010857      7.526180      7.198376
  H      -6.458715      1.794918      4.520648
  H      -7.868484      4.290470      7.908259
  H      -9.266516      6.215544      8.679663
  H     -11.462820      6.664723      7.600550
  H     -10.878252      3.237041      5.027472
  N      -2.869652      2.760269      3.263231
72
Coordinates from ORCA-job orca E -13783.058701771704
  N      -1.613472      1.081067      5.386792
  Mo     -3.174334      2.411847      4.847740
  N      -4.933516      2.060381      5.901296
  C      -4.618002      2.490819      7.275760
  C      -3.130947      2.349963      7.649070
  N      -2.195380      3.148587      6.774786
  C      -0.772121      2.719129      6.892660
  C      -0.594406      1.282018      6.395059
  C      -2.332599      4.625482      7.030220
  C      -2.767666      5.284808      5.737583
  N      -3.809767      4.440313      5.177940
  H       0.421034      1.160431      5.984707
  H      -0.713472      0.552776      7.211938
  H      -0.197789      3.408410      6.259151
  H      -0.424486      2.834397      7.932137
  H      -3.154432      6.301673      5.901655
  H      -1.918582      5.342675      5.033089
  H      -3.096015      4.773868      7.804660
  H      -1.379136      5.018652      7.408948
  H      -5.182511      1.865289      7.985124
  H      -4.963484      3.526288      7.430223
  H      -2.832801      1.295593      7.585356
  H      -2.998736      2.676329      8.693022
  C      -2.148590     -0.052432      4.969658
  N      -3.317482      0.209115      4.391484
  C      -4.172153     -0.652139      3.720901
  O      -5.071084     -0.214376      3.013283
  C      -3.969095     -2.127884      3.906926
  C      -4.074879     -2.963964      2.786986
  C      -3.931392     -4.341921      2.932062
  C      -3.705212     -4.906664      4.191136
  C      -3.626225     -4.064429      5.298760
  Br     -3.344719     -4.815178      7.032806
  C      -3.749010     -2.682000      5.175994
  C      -5.015220      4.927180      4.911443
  N      -5.443670      6.121192      5.272123
  C      -6.688017      6.458967      4.761464
  O      -7.174706      6.013638      3.714137
  C      -7.454171      7.458513      5.582545
  C      -8.686878      7.924064      5.107225
  C      -9.448969      8.802757      5.873596
  C      -9.001099      9.223146      7.129373
  C      -7.773667      8.747706      7.589600
  Br     -7.159294      9.287732      9.324248
  C      -6.989870      7.880837      6.836376
  C      -6.236935      2.098581      5.554766
  N      -7.156270      2.516806      6.379126
  C      -8.474972      2.504067      5.922052
  O      -8.954252      1.647550      5.177842
  C      -9.289540      3.653608      6.438897
  C      -8.830776      4.485735      7.470325
  C      -9.609926      5.555933      7.906173
  C     -10.842219      5.823291      7.307585
  C     -11.280994      4.992505      6.275278
  Br    -12.954936      5.376069      5.430573
  C     -10.531670      3.907499      5.838390
  H      -1.671771     -1.038911      5.065015
  H      -4.273413     -2.520096      1.811117
  H      -4.002345     -4.992503      2.059120
  H      -3.601514     -5.984884      4.310031
  H      -3.715593     -2.049529      6.062986
  H      -5.694764      4.248088      4.377547
  H      -9.036576      7.571044      4.137044
  H     -10.410942      9.159677      5.501847
  H      -9.596761      9.902439      7.738942
  H      -6.032888      7.514727      7.204001
  H      -6.460079      1.799773      4.519304
  H      -7.860785      4.281524      7.920632
  H      -9.251859      6.206486      8.705170
  H     -11.446133      6.670971      7.629622
  H     -10.875900      3.257095      5.034833
  N      -2.871060      2.762107      3.262750
72
Coordinates from ORCA-job orca E -13783.058730446019
  N      -1.613771      1.081005      5.386706
  Mo     -3.177757      2.409029      4.848940
  N      -4.935886      2.059895      5.904760
  C      -4.618844      2.492749      7.277892
  C      -3.131379      2.352063      7.650107
  N      -2.196075      3.149017      6.774576
  C      -0.772890      2.719387      6.893490
  C      -0.594774      1.282215      6.394837
  C      -2.333429      4.626290      7.027439
  C      -2.769875      5.283509      5.733802
  N      -3.812844      4.438387      5.176434
  H       0.420534      1.161139      5.984173
  H      -0.713191      0.552921      7.211729
  H      -0.197886      3.409267      6.261322
  H      -0.426589      2.833159      7.933562
  H      -3.155863      6.300845      5.896662
  H      -1.921054      5.339991      5.028817
  H      -3.096692      4.776217      7.801727
  H      -1.379711      5.020063      7.404809
  H      -5.182429      1.868857      7.989481
  H      -4.963386      3.528795      7.430791
  H      -2.833320      1.297511      7.587719
  H      -2.998419      2.678703      8.693923
  C      -2.151012     -0.054144      4.974489
  N      -3.320624      0.205953      4.397261
  C      -4.173370     -0.657043      3.726628
  O      -5.072067     -0.220721      3.017658
  C      -3.965503     -2.132856      3.907932
  C      -4.058876     -2.964399      2.783534
  C      -3.911778     -4.342547      2.923910
  C      -3.695138     -4.911853      4.182550
  C      -3.629351     -4.074250      5.294698
  Br     -3.362487     -4.832439      7.027529
  C      -3.755424     -2.691702      5.176704
  C      -5.018065      4.925910      4.910259
  N      -5.444788      6.121094      5.269222
  C      -6.689755      6.459188      4.760371
  O      -7.183720      6.003889      3.720644
  C      -7.454412      7.458713      5.582863
  C      -8.692525      7.917104      5.114571
  C      -9.451994      8.796904      5.882052
  C      -8.995899      9.225447      7.132096
  C      -7.763439      8.756757      7.585732
  Br     -7.138350      9.306902      9.313411
  C      -6.982290      7.888793      6.831153
  C      -6.239323      2.100651      5.557821
  N      -7.158061      2.521906      6.381091
  C      -8.476933      2.508246      5.925380
  O      -8.956745      1.650195      5.183308
  C      -9.291742      3.658821      6.439671
  C      -8.834293      4.491191      7.471529
  C      -9.614194      5.561273      7.906272
  C     -10.845694      5.828467      7.306150
  C     -11.283031      4.997632      6.273048
  Br    -12.955780      5.380981      5.426182
  C     -10.533121      3.912631      5.837415
  H      -1.677912     -1.042094      5.072164
  H      -4.250555     -2.516838      1.807955
  H      -3.972336     -4.989887      2.047753
  H      -3.589235     -5.990309      4.297305
  H      -3.732448     -2.062944      6.066642
  H      -5.698394      4.246678      4.377458
  H      -9.047844      7.557679      4.148739
  H     -10.418214      9.148500      5.516267
  H      -9.589042      9.905837      7.742849
  H      -6.021245      7.527847      7.193297
  H      -6.462563      1.798915      4.523274
  H      -7.864943      4.286770      7.923180
  H      -9.257244      6.211717      8.705814
  H     -11.450304      6.676022      7.627012
  H     -10.876246      3.262487      5.033030
  N      -2.879061      2.756220      3.262438
72
Coordinates from ORCA-job orca E -13783.058760346759
  N      -1.612769      1.085733      5.375450
  Mo     -3.183769      2.408366      4.844955
  N      -4.939233      2.055536      5.902667
  C      -4.621881      2.487992      7.275556
  C      -3.133897      2.348281      7.646658
  N      -2.199744      3.147368      6.772371
  C      -0.776176      2.719792      6.890683
  C      -0.594407      1.285499      6.384751
  C      -2.338237      4.623945      7.027221
  C      -2.774631      5.282482      5.734338
  N      -3.817286      4.437836      5.176456
  H       0.421043      1.169444      5.972984
  H      -0.710194      0.552110      7.198421
  H      -0.202010      3.414119      6.262582
  H      -0.431116      2.828623      7.931727
  H      -3.160271      6.299775      5.898056
  H      -1.925564      5.339595      5.029635
  H      -3.101974      4.772596      7.801269
  H      -1.384888      5.017945      7.405268
  H      -5.184281      1.863283      7.987382
  H      -4.966908      3.523760      7.429349
  H      -2.834327      1.294134      7.582924
  H      -3.001086      2.672597      8.691292
  C      -2.149587     -0.051517      4.968837
  N      -3.320884      0.203920      4.393069
  C      -4.170625     -0.663243      3.724039
  O      -5.081061     -0.231126      3.027544
  C      -3.959922     -2.138115      3.909359
  C      -4.053172     -2.972751      2.787404
  C      -3.904166     -4.350232      2.931446
  C      -3.686162     -4.915701      4.191430
  C      -3.619945     -4.074969      5.301193
  Br     -3.352342     -4.828773      7.035412
  C      -3.747038     -2.692908      5.179399
  C      -5.022498      4.926274      4.912001
  N      -5.448361      6.121061      5.273219
  C      -6.695013      6.459580      4.769020
  O      -7.194665      6.002263      3.732794
  C      -7.455757      7.459628      5.594484
  C      -8.696665      7.917095      5.132535
  C      -9.451419      8.798709      5.902499
  C      -8.987617      9.229801      7.148918
  C      -7.752769      8.761712      7.596472
  Br     -7.117528      9.314806      9.319488
  C      -6.976273      7.891965      6.839227
  C      -6.242533      2.098173      5.554656
  N      -7.161061      2.521981      6.376482
  C      -8.479586      2.508827      5.920226
  O      -8.960576      1.648158      5.181958
  C      -9.293487      3.661826      6.430150
  C      -8.836418      4.496523      7.460325
  C      -9.615531      5.568850      7.890821
  C     -10.846068      5.835592      7.288685
  C     -11.282938      5.002466      6.257202
  Br    -12.953520      5.386266      5.406554
  C     -10.533623      3.915567      5.825418
  H      -1.675331     -1.037855      5.077347
  H      -4.246688     -2.527991      1.811022
  H      -3.964646     -5.000268      2.057393
  H      -3.579501     -5.993736      4.308682
  H      -3.722997     -2.061501      6.067451
  H      -5.703360      4.247796      4.378940
  H      -9.057162      7.555765      4.169322
  H     -10.419788      9.149876      5.542055
  H      -9.576510      9.911832      7.761951
  H      -6.013187      7.531472      7.196398
  H      -6.464698      1.796925      4.519845
  H      -7.867697      4.292300      7.913382
  H      -9.258691      6.221170      8.689011
  H     -11.450490      6.684559      7.606150
  H     -10.876092      3.264365      5.021557
  N      -2.893642      2.757080      3.257241
72
Coordinates from ORCA-job orca E -13783.058783652448
  N      -1.613807      1.086595      5.368699
  Mo     -3.186815      2.409381      4.842894
  N      -4.941188      2.055556      5.900312
  C      -4.623441      2.483649      7.274457
  C      -3.135376      2.342571      7.644588
  N      -2.201657      3.144583      6.772500
  C      -0.777963      2.717835      6.888467
  C      -0.595698      1.285245      6.378912
  C      -2.340741      4.620416      7.031368
  C      -2.774430      5.282074      5.739428
  N      -3.816476      4.439347      5.178232
  H       0.419753      1.171033      5.966643
  H      -0.710877      0.549720      7.190742
  H      -0.204614      3.414132      6.261822
  H      -0.432263      2.824222      7.929574
  H      -3.159839      6.299237      5.904553
  H      -1.924229      5.340035      5.036166
  H      -3.106137      4.766754      7.804188
  H      -1.388326      5.013589      7.412651
  H      -5.185947      1.857093      7.984545
  H      -4.968230      3.519091      7.430887
  H      -2.836239      1.288511      7.577265
  H      -3.002177      2.663601      8.690184
  C      -2.151921     -0.050628      4.965413
  N      -3.323274      0.204010      4.389214
  C      -4.175533     -0.665077      3.725936
  O      -5.086953     -0.235196      3.029407
  C      -3.960729     -2.139344      3.911156
  C      -4.054630     -2.975091      2.790060
  C      -3.901349     -4.352070      2.934870
  C      -3.677504     -4.915832      4.194677
  C      -3.610085     -4.073981      5.303494
  Br     -3.333114     -4.825200      7.037616
  C      -3.741986     -2.692430      5.180917
  C      -5.020575      4.929218      4.911086
  N      -5.446455      6.123961      5.272509
  C      -6.691153      6.464208      4.764258
  O      -7.187856      6.007858      3.726214
  C      -7.455246      7.461495      5.589890
  C      -8.695038      7.919065      5.125167
  C      -9.453114      8.797916      5.895101
  C      -8.993891      9.226081      7.144171
  C      -7.759990      8.757997      7.594398
  Br     -7.130727      9.307472      9.320742
  C      -6.980183      7.891082      6.837268
  C      -6.244450      2.099702      5.552418
  N      -7.162574      2.521799      6.375438
  C      -8.481007      2.512485      5.918559
  O      -8.962666      1.656258      5.175588
  C      -9.292668      3.665488      6.431924
  C      -8.835389      4.494094      7.466868
  C      -9.612655      5.566322      7.901157
  C     -10.841258      5.839130      7.297790
  C     -11.278162      5.012239      6.261326
  Br    -12.945692      5.404769      5.408769
  C     -10.530856      3.925417      5.825924
  H      -1.682351     -1.038120      5.083645
  H      -4.252317     -2.531820      1.813814
  H      -3.962936     -5.003016      2.061566
  H      -3.566874     -5.993409      4.312614
  H      -3.717086     -2.060191      6.068400
  H      -5.700686      4.252237      4.375225
  H      -9.052228      7.560072      4.159882
  H     -10.420594      9.149164      5.532352
  H      -9.585638      9.905867      7.756978
  H      -6.017875      7.530623      7.196526
  H      -6.466985      1.800894      4.516917
  H      -7.868099      4.285188      7.920878
  H      -9.255717      6.213892      8.703229
  H     -11.443977      6.688194      7.618280
  H     -10.873558      3.278724      5.018686
  N      -2.900574      2.758525      3.254614
72
Coordinates from ORCA-job orca E -13783.058784090035
  N      -1.614466      1.082089      5.366401
  Mo     -3.190766      2.403003      4.844790
  N      -4.944096      2.052869      5.904462
  C      -4.624204      2.482202      7.277448
  C      -3.135707      2.340847      7.645310
  N      -2.203464      3.141841      6.771820
  C      -0.779987      2.714593      6.888410
  C      -0.597851      1.281312      6.378210
  C      -2.345810      4.617909      7.027614
  C      -2.785369      5.276908      5.735363
  N      -3.828406      4.431588      5.176470
  H       0.417806      1.167135      5.966397
  H      -0.713204      0.546194      7.190406
  H      -0.204944      3.411312      6.263895
  H      -0.436001      2.818492      7.930401
  H      -3.172308      6.293340      5.901476
  H      -1.936815      5.336406      5.030098
  H      -3.110678      4.764301      7.800966
  H      -1.393489      5.013516      7.406508
  H      -5.184868      1.856811      7.990021
  H      -4.968194      3.518067      7.432702
  H      -2.836968      1.286477      7.578058
  H      -3.001029      2.660962      8.691038
  C      -2.160394     -0.056891      4.972340
  N      -3.331115      0.198553      4.396854
  C      -4.183455     -0.672791      3.737113
  O      -5.094791     -0.246400      3.038344
  C      -3.955638     -2.146382      3.911715
  C      -4.031825     -2.975007      2.784253
  C      -3.867981     -4.351595      2.921676
  C      -3.650181     -4.921409      4.179722
  C      -3.598956     -4.086430      5.294624
  Br     -3.329522     -4.847146      7.025555
  C      -3.741507     -2.705329      5.179597
  C      -5.033132      4.920081      4.909932
  N      -5.459670      6.114004      5.273650
  C      -6.704191      6.455266      4.765529
  O      -7.195874      6.008688      3.720906
  C      -7.464682      7.457618      5.588174
  C      -8.699371      7.923770      5.118329
  C      -9.454028      8.808573      5.884716
  C      -8.996489      9.234109      7.135301
  C      -7.768062      8.757001      7.591028
  Br     -7.141730      9.302649      9.319672
  C      -6.991474      7.884292      6.837322
  C      -6.247806      2.100823      5.557810
  N      -7.163050      2.527914      6.381459
  C      -8.483292      2.520305      5.930292
  O      -8.970394      1.662622      5.192388
  C      -9.290088      3.678050      6.440583
  C      -8.829093      4.506813      7.473728
  C      -9.602468      5.582407      7.907061
  C     -10.830558      5.858244      7.304268
  C     -11.270796      5.031726      6.268832
  Br    -12.936458      5.429933      5.416001
  C     -10.527572      3.941667      5.834711
  H      -1.699149     -1.047274      5.099922
  H      -4.225173     -2.527290      1.809180
  H      -3.916495     -4.997854      2.044125
  H      -3.531223     -5.998780      4.291161
  H      -3.727912     -2.077880      6.070833
  H      -5.712957      4.243248      4.373586
  H      -9.054901      7.566732      4.151727
  H     -10.417551      9.166973      5.518458
  H      -9.585202      9.919178      7.745218
  H      -6.033319      7.516685      7.200328
  H      -6.472480      1.799617      4.523435
  H      -7.861983      4.295325      7.926959
  H      -9.242477      6.230005      8.707964
  H     -11.430676      6.709435      7.624080
  H     -10.873560      3.295147      5.028795
  N      -2.911375      2.747143      3.254494
72
Coordinates from ORCA-job orca E -13783.058816660407
  N      -1.609946      1.088632      5.355557
  Mo     -3.189498      2.409441      4.837831
  N      -4.942240      2.055028      5.894715
  C      -4.624262      2.478633      7.270127
  C      -3.135948      2.336323      7.638929
  N      -2.203159      3.141915      6.769652
  C      -0.779122      2.716597      6.883920
  C      -0.594302      1.286250      6.368994
  C      -2.344953      4.616832      7.032071
  C      -2.778205      5.281182      5.741373
  N      -3.819291      4.439095      5.176983
  H       0.421771      1.175630      5.957329
  H      -0.708913      0.547549      7.177994
  H      -0.205977      3.416334      6.261010
  H      -0.434140      2.818309      7.925805
  H      -3.164732      6.297512      5.909109
  H      -1.927459      5.341827      5.038918
  H      -3.111978      4.759970      7.803856
  H      -1.393820      5.010489      7.416074
  H      -5.186241      1.850050      7.978809
  H      -4.969063      3.513664      7.429037
  H      -2.837014      1.282377      7.567341
  H      -3.002365      2.652793      8.685891
  C      -2.154025     -0.049359      4.962698
  N      -3.325135      0.204488      4.384964
  C      -4.180241     -0.668389      3.730268
  O      -5.094473     -0.242774      3.034948
  C      -3.959268     -2.141878      3.915465
  C      -4.039365     -2.977847      2.793596
  C      -3.880648     -4.354126      2.939979
  C      -3.664852     -4.916724      4.201741
  C      -3.611504     -4.074715      5.311156
  Br     -3.344952     -4.824495      7.047692
  C      -3.749452     -2.693857      5.187220
  C      -5.023181      4.928972      4.908652
  N      -5.450382      6.122362      5.273215
  C      -6.695375      6.462730      4.765412
  O      -7.188828      6.012802      3.723095
  C      -7.458792      7.460235      5.591306
  C      -8.697651      7.919651      5.125970
  C      -9.455495      8.798474      5.896246
  C      -8.996905      9.224990      7.146065
  C      -7.763878      8.755126      7.596870
  Br     -7.135656      9.302135      9.324340
  C      -6.984355      7.888154      6.839505
  C      -6.245366      2.101803      5.546064
  N      -7.162853      2.524494      6.369316
  C      -8.481276      2.519658      5.912225
  O      -8.966323      1.663994      5.170742
  C      -9.290450      3.672447      6.429743
  C      -8.832459      4.494607      7.469462
  C      -9.607857      5.566378      7.908618
  C     -10.834712      5.845465      7.304670
  C     -11.271988      5.025461      6.262902
  Br    -12.936230      5.427873      5.408945
  C     -10.526981      3.938774      5.823259
  H      -1.699290     -1.041748      5.096941
  H      -4.230512     -2.535839      1.815433
  H      -3.931638     -5.005608      2.066372
  H      -3.549645     -5.993752      4.320592
  H      -3.736044     -2.061287      6.074742
  H      -5.702606      4.252981      4.370698
  H      -9.054443      7.561899      4.160113
  H     -10.422374      9.151102      5.533241
  H      -9.588572      9.904859      7.758913
  H      -6.022848      7.526011      7.199141
  H      -6.467861      1.804477      4.510060
  H      -7.866241      4.280950      7.923572
  H      -9.250511      6.208577      8.714870
  H     -11.435919      6.694153      7.629035
  H     -10.870600      3.296981      5.012654
  N      -2.912027      2.757216      3.247956
72
Coordinates from ORCA-job orca E -13783.058817025323
  N      -1.607928      1.091407      5.346901
  Mo     -3.191934      2.410590      4.835430
  N      -4.942307      2.053150      5.894526
  C      -4.622851      2.473738      7.270437
  C      -3.133895      2.331924      7.636577
  N      -2.203257      3.140458      6.767893
  C      -0.778828      2.716653      6.879813
  C      -0.592469      1.288042      6.361081
  C      -2.345824      4.614575      7.033519
  C      -2.779940      5.281148      5.744457
  N      -3.820872      4.439951      5.178851
  H       0.423563      1.180209      5.948619
  H      -0.705548      0.546927      7.168072
  H      -0.207162      3.418700      6.258118
  H      -0.432769      2.816133      7.921579
  H      -3.166587      6.297103      5.914157
  H      -1.929556      5.343406      5.041721
  H      -3.112128      4.755714      7.806391
  H      -1.394602      5.008177      7.417395
  H      -5.183353      1.842905      7.978297
  H      -4.968351      3.508051      7.432446
  H      -2.833858      1.278468      7.562129
  H      -2.999083      2.645964      8.684126
  C      -2.153514     -0.046648      4.957725
  N      -3.325459      0.206371      4.381049
  C      -4.181475     -0.667923      3.729487
  O      -5.101567     -0.243876      3.041016
  C      -3.959768     -2.141073      3.916659
  C      -4.040322     -2.978721      2.796139
  C      -3.881355     -4.354716      2.944511
  C      -3.665203     -4.915440      4.206990
  C      -3.611343     -4.071735      5.315063
  Br     -3.344917     -4.818892      7.052608
  C      -3.749148     -2.691030      5.189135
  C      -5.024363      4.930861      4.910567
  N      -5.450993      6.124273      5.275617
  C      -6.694365      6.466647      4.765346
  O      -7.186511      6.017579      3.722028
  C      -7.459634      7.462386      5.591728
  C      -8.696640      7.924135      5.123708
  C      -9.456118      8.801603      5.893881
  C      -9.001148      9.224240      7.146377
  C      -7.769996      8.752030      7.599836
  Br     -7.146749      9.293849      9.330748
  C      -6.988792      7.886462      6.842611
  C      -6.245998      2.099954      5.547791
  N      -7.162503      2.518980      6.373990
  C      -8.481882      2.513112      5.919600
  O      -8.964492      1.663458      5.169720
  C      -9.288819      3.669376      6.432699
  C      -8.832592      4.490386      7.474128
  C      -9.606216      5.564922      7.909466
  C     -10.829499      5.847952      7.300094
  C     -11.264907      5.029158      6.256642
  Br    -12.923996      5.437135      5.395263
  C     -10.521641      3.939820      5.820546
  H      -1.701794     -1.039356      5.099682
  H      -4.232003     -2.538277      1.817400
  H      -3.932617     -5.007488      2.071897
  H      -3.550180     -5.992293      4.327370
  H      -3.734894     -2.056995      6.075605
  H      -5.703362      4.256209      4.370454
  H      -9.050579      7.569364      4.155679
  H     -10.421543      9.156040      5.528763
  H      -9.594091      9.902925      7.759258
  H      -6.028742      7.522496      7.204319
  H      -6.469700      1.805306      4.511366
  H      -7.869121      4.273580      7.932563
  H      -9.250190      6.206158      8.717067
  H     -11.429303      6.698742      7.621500
  H     -10.863840      3.299031      5.008489
  N      -2.919469      2.760844      3.245299
72
Coordinates from ORCA-job orca E -13783.058829823240
  N      -1.605453      1.090283      5.347307
  Mo     -3.188254      2.410834      4.834030
  N      -4.940411      2.055417      5.890911
  C      -4.622492      2.475985      7.267193
  C      -3.134206      2.333017      7.635259
  N      -2.202113      3.140501      6.767368
  C      -0.778172      2.715401      6.881602
  C      -0.592208      1.286126      6.363978
  C      -2.344655      4.614784      7.032005
  C      -2.778537      5.281083      5.742503
  N      -3.819601      4.439736      5.176136
  H       0.424591      1.177109      5.953730
  H      -0.707734      0.545429      7.170998
  H      -0.204830      3.416569      6.260446
  H      -0.433467      2.815053      7.923818
  H      -3.165416      6.296973      5.912117
  H      -1.927939      5.343552      5.040051
  H      -3.111213      4.756497      7.804525
  H      -1.393494      5.008342      7.416098
  H      -5.184427      1.845723      7.974426
  H      -4.967462      3.510575      7.428502
  H      -2.834798      1.279320      7.561526
  H      -3.000445      2.647255      8.682885
  C      -2.154542     -0.047481      4.960338
  N      -3.324646      0.207693      4.381403
  C      -4.182090     -0.665909      3.730930
  O      -5.101171     -0.241491      3.041389
  C      -3.960848     -2.139146      3.917906
  C      -4.038859     -2.976666      2.797148
  C      -3.880729     -4.352706      2.945896
  C      -3.667660     -4.913526      4.208848
  C      -3.615754     -4.069823      5.316999
  Br     -3.353385     -4.816946      7.055147
  C      -3.752697     -2.689047      5.190778
  C      -5.022933      4.930658      4.907333
  N      -5.449797      6.123864      5.272811
  C      -6.692604      6.466765      4.761669
  O      -7.183273      6.019426      3.716941
  C      -7.460048      7.459382      5.589819
  C      -8.696665      7.921524      5.121138
  C      -9.458208      8.795947      5.892739
  C      -9.005784      9.215003      7.147373
  C      -7.775024      8.742383      7.601463
  Br     -7.155145      9.279460      9.335059
  C      -6.991743      7.879905      6.842855
  C      -6.243744      2.103221      5.542889
  N      -7.160398      2.523885      6.368151
  C      -8.479474      2.519995      5.912759
  O      -8.964790      1.667155      5.168258
  C      -9.286809      3.673779      6.430719
  C      -8.828175      4.494318      7.471471
  C      -9.601909      5.567119      7.910823
  C     -10.827976      5.848705      7.306360
  C     -11.265863      5.030371      6.263624
  Br    -12.928778      5.436696      5.408843
  C     -10.522385      3.942783      5.823472
  H      -1.707203     -1.041794      5.105191
  H      -4.228247     -2.536278      1.817940
  H      -3.930289     -5.005448      2.073170
  H      -3.553304     -5.990412      4.329474
  H      -3.739471     -2.054790      6.077147
  H      -5.701626      4.256169      4.366638
  H      -9.048621      7.569499      4.151383
  H     -10.423300      9.150700      5.527047
  H      -9.600339      9.891281      7.761348
  H      -6.032008      7.515607      7.205066
  H      -6.466715      1.809153      4.506166
  H      -7.862543      4.278764      7.925950
  H      -9.243898      6.208092      8.717777
  H     -11.428042      6.698098      7.630959
  H     -10.866552      3.302423      5.011877
  N      -2.914099      2.760388      3.244111
72
Coordinates from ORCA-job orca E -13783.058834047744
  N      -1.603287      1.090528      5.347562
  Mo     -3.185854      2.411525      4.832536
  N      -4.938825      2.056318      5.888609
  C      -4.622503      2.479637      7.264518
  C      -3.134560      2.337364      7.634274
  N      -2.201459      3.142712      6.765296
  C      -0.777758      2.716809      6.881121
  C      -0.591925      1.286576      6.366100
  C      -2.342948      4.617598      7.027302
  C      -2.778454      5.282166      5.737402
  N      -3.820132      4.439733      5.173453
  H       0.425544      1.176366      5.957861
  H      -0.709398      0.546854      7.173721
  H      -0.203778      3.416453      6.258786
  H      -0.433143      2.818437      7.923186
  H      -3.165580      6.298083      5.906339
  H      -1.928964      5.344183      5.033600
  H      -3.108064      4.761028      7.800947
  H      -1.391012      5.011423      7.409222
  H      -5.185251      1.850481      7.972086
  H      -4.967966      3.514384      7.423719
  H      -2.835162      1.283508      7.563161
  H      -3.001571      2.654074      8.681253
  C      -2.154784     -0.046935      4.962936
  N      -3.323595      0.209655      4.381940
  C      -4.183249     -0.663420      3.733718
  O      -5.100219     -0.238580      3.041685
  C      -3.962638     -2.136770      3.920573
  C      -4.037628     -2.973884      2.799311
  C      -3.880632     -4.350026      2.948037
  C      -3.671779     -4.911449      4.211410
  C      -3.622821     -4.068095      5.319944
  Br     -3.366758     -4.815698      7.058779
  C      -3.758448     -2.687161      5.193854
  C      -5.024769      4.929427      4.908496
  N      -5.451121      6.122565      5.274735
  C      -6.698233      6.462614      4.772613
  O      -7.196548      6.012322      3.732791
  C      -7.457299      7.461698      5.600819
  C      -8.698177      7.921176      5.140828
  C      -9.451648      8.801768      5.913370
  C      -8.986528      9.230183      7.160201
  C      -7.751572      8.760293      7.605563
  Br     -7.114361      9.309945      9.328888
  C      -6.976469      7.891334      6.845977
  C      -6.242065      2.100258      5.539790
  N      -7.160581      2.520025      6.363570
  C      -8.479015      2.511317      5.906225
  O      -8.961232      1.654194      5.164676
  C      -9.291080      3.662806      6.421881
  C      -8.836348      4.487194      7.461309
  C      -9.614241      5.558174      7.897598
  C     -10.840694      5.834275      7.291292
  C     -11.274821      5.011985      6.250169
  Br    -12.938568      5.410507      5.393158
  C     -10.527182      3.925976      5.813103
  H      -1.709164     -1.041621      5.110617
  H      -4.223873     -2.533213      1.819622
  H      -3.927839     -5.002316      2.074834
  H      -3.558484     -5.988431      4.332111
  H      -3.747246     -2.053108      6.080415
  H      -5.705281      4.253365      4.372006
  H      -9.059933      7.562138      4.177271
  H     -10.420128      9.154200      5.554467
  H      -9.574663      9.911364      7.774923
  H      -6.013388      7.529262      7.201503
  H      -6.463546      1.804373      4.503315
  H      -7.870388      4.276130      7.917158
  H      -9.259342      6.202000      8.703595
  H     -11.443968      6.682308      7.613489
  H     -10.868276      3.282724      5.002442
  N      -2.910223      2.761222      3.242947
72
Coordinates from ORCA-job orca E -13783.058841161317
  N      -1.598738      1.091371      5.346596
  Mo     -3.179747      2.414301      4.830586
  N      -4.934256      2.058920      5.885084
  C      -4.619026      2.481214      7.261610
  C      -3.131550      2.338686      7.632420
  N      -2.197749      3.143943      6.764008
  C      -0.774371      2.717192      6.881041
  C      -0.589404      1.286412      6.367423
  C      -2.338920      4.618864      7.026201
  C      -2.774685      5.283913      5.736584
  N      -3.816317      4.441722      5.171774
  H       0.428808      1.174777      5.961422
  H      -0.709480      0.547134      7.175054
  H      -0.199533      3.415703      6.258207
  H      -0.430025      2.819721      7.923105
  H      -3.162112      6.299630      5.906099
  H      -1.925260      5.346587      5.032810
  H      -3.103470      4.762344      7.800420
  H      -1.386683      5.012420      7.407629
  H      -5.182530      1.851494      7.968070
  H      -4.964670      3.515802      7.421463
  H      -2.832261      1.284821      7.561335
  H      -2.999029      2.655448      8.679422
  C      -2.152871     -0.045087      4.962395
  N      -3.319712      0.214229      4.378771
  C      -4.181826     -0.656911      3.731208
  O      -5.098539     -0.229880      3.040216
  C      -3.967012     -2.130748      3.921205
  C      -4.042106     -2.969547      2.801234
  C      -3.890435     -4.345983      2.952745
  C      -3.687302     -4.906038      4.217645
  C      -3.638692     -4.060956      5.324863
  Br     -3.390924     -4.806329      7.065842
  C      -3.768916     -2.679737      5.196073
  C      -5.020728      4.931652      4.906432
  N      -5.447489      6.124451      5.273207
  C      -6.692966      6.465687      4.767941
  O      -7.188059      6.017501      3.725675
  C      -7.456513      7.459896      5.597927
  C      -8.695954      7.920261      5.134971
  C      -9.453851      8.795865      5.908816
  C      -8.994797      9.218180      7.159969
  C      -7.761192      8.747437      7.608231
  Br     -7.132074      9.288994      9.337124
  C      -6.981636      7.883560      6.847405
  C      -6.237530      2.101806      5.536591
  N      -7.156320      2.519134      6.361498
  C      -8.474936      2.509781      5.904619
  O      -8.956502      1.653740      5.161432
  C      -9.287734      3.659829      6.422466
  C      -8.832446      4.484000      7.461831
  C      -9.610766      5.553933      7.899816
  C     -10.838437      5.829105      7.295473
  C     -11.273221      5.006939      6.254559
  Br    -12.938999      5.403803      5.400606
  C     -10.525024      3.922044      5.815637
  H      -1.708226     -1.039567      5.114115
  H      -4.223918     -2.530035      1.820190
  H      -3.937427     -4.999474      2.080427
  H      -3.578370     -5.983210      4.340616
  H      -3.758210     -2.044189      6.081536
  H      -5.700557      4.256220      4.368331
  H      -9.053193      7.565870      4.168006
  H     -10.421140      9.148986      5.547368
  H      -9.586497      9.895388      7.775640
  H      -6.019655      7.520856      7.205268
  H      -6.459054      1.807427      4.499725
  H      -7.865632      4.273723      7.916255
  H      -9.255294      6.197789      8.705547
  H     -11.442001      6.676405      7.619045
  H     -10.866567      3.278931      5.005047
  N      -2.900631      2.766164      3.242111
72
Coordinates from ORCA-job orca E -13783.058845844376
  N      -1.592603      1.093208      5.338778
  Mo     -3.177092      2.416584      4.826241
  N      -4.931677      2.059721      5.880226
  C      -4.616631      2.479315      7.257653
  C      -3.129235      2.336243      7.628146
  N      -2.195460      3.143109      6.761213
  C      -0.771925      2.716413      6.877944
  C      -0.586304      1.286367      6.362997
  C      -2.336581      4.617611      7.025925
  C      -2.772335      5.284823      5.737658
  N      -3.813484      4.443753      5.171062
  H       0.432925      1.175194      5.959428
  H      -0.708478      0.545789      7.169138
  H      -0.197229      3.415595      6.255715
  H      -0.427459      2.817899      7.920084
  H      -3.159898      6.300204      5.908960
  H      -1.922746      5.348948      5.034196
  H      -3.100593      4.759776      7.800940
  H      -1.384124      5.010619      7.407359
  H      -5.180284      1.848162      7.962694
  H      -4.962303      3.513581      7.419568
  H      -2.829997      1.282459      7.555168
  H      -2.996404      2.651039      8.675693
  C      -2.152148     -0.042194      4.961139
  N      -3.317210      0.219570      4.373445
  C      -4.184108     -0.651499      3.732366
  O      -5.103549     -0.224345      3.045119
  C      -3.971067     -2.125282      3.924661
  C      -4.045029     -2.965878      2.806040
  C      -3.895041     -4.342225      2.960293
  C      -3.694828     -4.900236      4.226536
  C      -3.647356     -4.053246      5.332348
  Br     -3.403722     -4.795706      7.075124
  C      -3.775811     -2.672112      5.200873
  C      -5.017573      4.934293      4.905466
  N      -5.445110      6.126233      5.274085
  C      -6.688902      6.468916      4.765546
  O      -7.179940      6.024594      3.719682
  C      -7.456653      7.458491      5.597163
  C      -8.693818      7.921202      5.130482
  C      -9.455688      8.792556      5.905194
  C      -9.003093      9.207993      7.160984
  C      -7.771763      8.734825      7.612997
  Br     -7.151334      9.267253      9.347894
  C      -6.988154      7.875363      6.851333
  C      -6.235062      2.102463      5.532369
  N      -7.153698      2.516975      6.358946
  C      -8.472526      2.508172      5.902756
  O      -8.953824      1.654904      5.156238
  C      -9.284603      3.658245      6.421869
  C      -8.828957      4.480678      7.462461
  C      -9.606564      5.550626      7.901686
  C     -10.833994      5.827402      7.297574
  C     -11.269117      5.006975      6.255436
  Br    -12.934582      5.405928      5.401874
  C     -10.521521      3.922248      5.815101
  H      -1.719006     -1.040359      5.121859
  H      -4.224641     -2.528147      1.823799
  H      -3.941128     -4.997174      2.089034
  H      -3.587297     -5.977298      4.351652
  H      -3.765807     -2.034816      6.085089
  H      -5.696467      4.260090      4.364667
  H      -9.046145      7.572126      4.159796
  H     -10.421092      9.147651      5.540648
  H      -9.597910      9.881968      7.777214
  H      -6.027918      7.510893      7.212065
  H      -6.456915      1.810409      4.494931
  H      -7.862443      4.269071      7.916900
  H      -9.250699      6.193259      8.708259
  H     -11.436984      6.674696      7.622239
  H     -10.863311      3.280532      5.003555
  N      -2.898871      2.771814      3.238435
72
Coordinates from ORCA-job orca E -13783.058849924182
  N      -1.591206      1.092953      5.341002
  Mo     -3.173851      2.417258      4.826032
  N      -4.929892      2.060301      5.879091
  C      -4.615785      2.481422      7.256300
  C      -3.128743      2.338746      7.628121
  N      -2.194087      3.144317      6.760790
  C      -0.770841      2.716859      6.879143
  C      -0.586135      1.285882      6.366419
  C      -2.334599      4.619207      7.024092
  C      -2.771192      5.285430      5.735424
  N      -3.812538      4.443769      5.169949
  H       0.433587      1.172985      5.964571
  H      -0.710337      0.546462      7.173320
  H      -0.195430      3.414554      6.255895
  H      -0.426889      2.819977      7.921265
  H      -3.158805      6.300887      5.906179
  H      -1.921922      5.349153      5.031535
  H      -3.097899      4.762355      7.799637
  H      -1.381661      5.012248      7.404274
  H      -5.179997      1.850978      7.961528
  H      -4.961518      3.515843      7.417125
  H      -2.829494      1.284861      7.556810
  H      -2.996541      2.654964      8.675307
  C      -2.151509     -0.042104      4.962573
  N      -3.315074      0.221099      4.373021
  C      -4.183459     -0.648615      3.732214
  O      -5.101950     -0.219874      3.044642
  C      -3.972981     -2.122647      3.924940
  C      -4.049728     -2.963478      2.806676
  C      -3.902021     -4.340043      2.961190
  C      -3.701293     -4.897976      4.227378
  C      -3.650900     -4.050681      5.332850
  Br     -3.406686     -4.793045      7.075550
  C      -3.776975     -2.669367      5.201083
  C      -5.017249      4.933488      4.905851
  N      -5.444996      6.125287      5.274693
  C      -6.689881      6.466926      4.768251
  O      -7.182912      6.021087      3.723960
  C      -7.456092      7.457627      5.599944
  C      -8.694658      7.918878      5.135544
  C      -9.455001      8.791285      5.910576
  C      -8.999349      9.209346      7.164392
  C      -7.766603      8.737704      7.614109
  Br     -7.141965      9.273696      9.346389
  C      -6.984573      7.877090      6.852113
  C      -6.233170      2.101811      5.530925
  N      -7.152546      2.515872      6.357003
  C      -8.471123      2.505420      5.900279
  O      -8.951022      1.651696      5.153362
  C      -9.284979      3.654521      6.418935
  C      -8.830423      4.478304      7.458937
  C      -9.609499      5.547446      7.897458
  C     -10.837402      5.822088      7.293329
  C     -11.271568      5.000164      6.251965
  Br    -12.938002      5.395729      5.398634
  C     -10.522435      3.916248      5.812248
  H      -1.716379     -1.039282      5.124005
  H      -4.229792     -2.525745      1.824523
  H      -3.950302     -4.995159      2.090177
  H      -3.595571     -5.975185      4.352744
  H      -3.764591     -2.031784      6.085071
  H      -5.696411      4.258594      4.366207
  H      -9.049300      7.567784      4.166427
  H     -10.421507      9.145205      5.547820
  H      -9.592882      9.884182      7.780913
  H      -6.023214      7.513849      7.211098
  H      -6.454488      1.809259      4.493526
  H      -7.863572      4.268419      7.913436
  H      -9.254451      6.191211      8.703460
  H     -11.441517      6.668806      7.617412
  H     -10.863329      3.273477      5.001115
  N      -2.891791      2.774286      3.239251
72
Coordinates from ORCA-job orca E -13783.058851641366
  N      -1.589262      1.093495      5.340845
  Mo     -3.171738      2.417972      4.825102
  N      -4.928706      2.060184      5.877639
  C      -4.614992      2.481829      7.254767
  C      -3.128081      2.339486      7.627162
  N      -2.192947      3.144909      6.760088
  C      -0.769801      2.717380      6.879377
  C      -0.585405      1.286129      6.367504
  C      -2.333360      4.619897      7.023362
  C      -2.770282      5.285982      5.734643
  N      -3.811392      4.444135      5.169469
  H       0.434787      1.172435      5.967085
  H      -0.711041      0.547206      7.174641
  H      -0.194093      3.414542      6.255827
  H      -0.426489      2.821103      7.921624
  H      -3.157930      6.301436      5.905337
  H      -1.920950      5.349656      5.030810
  H      -3.096470      4.763051      7.799085
  H      -1.380255      5.012901      7.403119
  H      -5.179252      1.851547      7.960106
  H      -4.960784      3.516280      7.415293
  H      -2.828751      1.285592      7.556308
  H      -2.996218      2.655874      8.674333
  C      -2.150233     -0.041294      4.962673
  N      -3.312705      0.222693      4.371314
  C      -4.183023     -0.646451      3.732428
  O      -5.100986     -0.216751      3.044677
  C      -3.974432     -2.120622      3.925786
  C      -4.051794     -2.961665      2.807716
  C      -3.905685     -4.338380      2.962669
  C      -3.705990     -4.896142      4.229097
  C      -3.655168     -4.048634      5.334418
  Br     -3.412467     -4.790979      7.077334
  C      -3.779715     -2.667240      5.202196
  C      -5.016515      4.933173      4.906081
  N      -5.444871      6.124539      5.275662
  C      -6.690407      6.465404      4.770217
  O      -7.184059      6.019149      3.726379
  C      -7.455833      7.456809      5.601743
  C      -8.695191      7.917085      5.138504
  C      -9.454723      8.790220      5.913510
  C      -8.997375      9.210041      7.166105
  C      -7.763850      8.739379      7.614706
  Br     -7.136978      9.277623      9.345469
  C      -6.982657      7.878003      6.852708
  C      -6.231854      2.101372      5.529166
  N      -7.151694      2.515467      6.354734
  C      -8.469985      2.504318      5.897530
  O      -8.949360      1.650211      5.150666
  C      -9.285069      3.652425      6.416620
  C      -8.831096      4.476497      7.456638
  C      -9.611255      5.544684      7.895623
  C     -10.839632      5.818105      7.291950
  C     -11.273238      4.995872      6.250550
  Br    -12.940380      5.389607      5.397794
  C     -10.523017      3.912908      5.810411
  H      -1.716083     -1.038514      5.126238
  H      -4.231025     -2.523962      1.825392
  H      -3.954388     -4.993730      2.091850
  H      -3.601461     -5.973439      4.354760
  H      -3.767403     -2.029506      6.086079
  H      -5.695489      4.258021      4.366520
  H      -9.051078      7.564594      4.170350
  H     -10.421882      9.143384      5.551760
  H      -9.590217      9.885472      7.782643
  H      -6.020682      7.515517      7.210801
  H      -6.452813      1.808287      4.491830
  H      -7.863867      4.267577      7.910781
  H      -9.256662      6.188729      8.701602
  H     -11.444567      6.664118      7.616340
  H     -10.863380      3.269922      4.999228
  N      -2.887250      2.777392      3.239236
72
Coordinates from ORCA-job orca E -13783.058852383174
  N      -1.586268      1.094515      5.340069
  Mo     -3.168354      2.419365      4.823721
  N      -4.926517      2.059917      5.875375
  C      -4.613311      2.481437      7.252666
  C      -3.126547      2.339283      7.625688
  N      -2.191035      3.145255      6.759431
  C      -0.767796      2.717759      6.879424
  C      -0.583475      1.286354      6.367852
  C      -2.332029      4.620130      7.023620
  C      -2.769365      5.286722      5.735150
  N      -3.810087      4.444673      5.169631
  H       0.437131      1.171970      5.968704
  H      -0.710468      0.547649      7.174982
  H      -0.191879      3.414757      6.255906
  H      -0.425217      2.821678      7.921863
  H      -3.157315      6.301986      5.906276
  H      -1.919888      5.350892      5.031518
  H      -3.095322      4.762475      7.799296
  H      -1.379024      5.013146      7.403574
  H      -5.177556      1.850945      7.957844
  H      -4.959286      3.515811      7.413310
  H      -2.827025      1.285460      7.554658
  H      -2.995217      2.655219      8.673063
  C      -2.148247     -0.040053      4.961780
  N      -3.309206      0.225168      4.368189
  C      -4.182291     -0.643033      3.731847
  O      -5.099961     -0.211978      3.044479
  C      -3.976851     -2.117346      3.926869
  C      -4.057254     -2.959561      2.809870
  C      -3.913730     -4.336404      2.966325
  C      -3.713470     -4.892992      4.233205
  C      -3.659653     -4.044305      5.337498
  Br     -3.415880     -4.785179      7.080942
  C      -3.781796     -2.662857      5.203719
  C      -5.015605      4.932795      4.906475
  N      -5.444880      6.123560      5.277071
  C      -6.690596      6.463998      4.771649
  O      -7.183967      6.017778      3.727677
  C      -7.456248      7.455158      5.603203
  C      -8.696071      7.914564      5.140382
  C      -9.455782      8.787496      5.915468
  C      -8.998077      9.208026      7.167674
  C      -7.764041      8.738304      7.615849
  Br     -7.136671      9.277521      9.346092
  C      -6.982708      7.877093      6.853778
  C      -6.229488      2.101248      5.526437
  N      -7.149777      2.515196      6.351627
  C      -8.467869      2.503628      5.894121
  O      -8.946534      1.650091      5.146066
  C      -9.283978      3.650763      6.413870
  C      -8.830823      4.474337      7.454627
  C      -9.611976      5.541492      7.894450
  C     -10.840436      5.814460      7.290795
  C     -11.273213      4.992762      6.248587
  Br    -12.940441      5.385874      5.395725
  C     -10.522041      3.910776      5.807705
  H      -1.716110     -1.038140      5.125260
  H      -4.236766     -2.522600      1.827259
  H      -3.964886     -4.992769      2.096409
  H      -3.610754     -5.970344      4.359996
  H      -3.767616     -2.024205      6.086921
  H      -5.693964      4.257605      4.366196
  H      -9.052158      7.561494      4.172519
  H     -10.423347      9.139982      5.554157
  H      -9.591047      9.883263      7.784317
  H      -6.020348      7.515304      7.211528
  H      -6.450097      1.807890      4.489072
  H      -7.863480      4.265806      7.908694
  H      -9.258076      6.185133      8.701047
  H     -11.446133      6.659704      7.615788
  H     -10.861789      3.268064      4.996051
  N      -2.880912      2.782347      3.239120
72
Coordinates from ORCA-job orca E -13783.058853510436
  N      -1.586339      1.094865      5.339113
  Mo     -3.169129      2.419144      4.823541
  N      -4.927364      2.058281      5.875475
  C      -4.613936      2.479729      7.252662
  C      -3.127048      2.337812      7.625359
  N      -2.191656      3.144488      6.759549
  C      -0.768372      2.717403      6.879538
  C      -0.583630      1.286466      6.367031
  C      -2.332766      4.619202      7.024631
  C      -2.769904      5.286304      5.736421
  N      -3.810311      4.444511      5.170639
  H       0.437006      1.172622      5.967806
  H      -0.710388      0.547341      7.173826
  H      -0.192575      3.415020      6.256603
  H      -0.426218      2.820652      7.922178
  H      -3.157650      6.301598      5.907743
  H      -1.920213      5.350450      5.033036
  H      -3.096184      4.761011      7.800269
  H      -1.379792      5.012080      7.404765
  H      -5.177725      1.848980      7.957994
  H      -4.960038      3.513998      7.413671
  H      -2.827258      1.284092      7.553845
  H      -2.995752      2.653107      8.672940
  C      -2.147618     -0.039658      4.960555
  N      -3.308524      0.225113      4.366594
  C      -4.182207     -0.643486      3.731698
  O      -5.100584     -0.212769      3.045017
  C      -3.976234     -2.117635      3.926810
  C      -4.058383     -2.960119      2.810143
  C      -3.914489     -4.336890      2.966704
  C      -3.712035     -4.893104      4.233376
  C      -3.656253     -4.044150      5.337368
  Br     -3.409422     -4.784710      7.080439
  C      -3.778670     -2.662755      5.203418
  C      -5.015683      4.932682      4.906903
  N      -5.445176      6.123305      5.277707
  C      -6.690507      6.463966      4.771421
  O      -7.183319      6.017830      3.727137
  C      -7.456629      7.454984      5.602695
  C      -8.696065      7.914681      5.139102
  C      -9.456117      8.787662      5.913777
  C      -8.999139      9.207896      7.166360
  C      -7.765533      8.737831      7.615356
  Br     -7.139216      9.276650      9.346096
  C      -6.983852      7.876593      6.853681
  C      -6.230234      2.100709      5.526388
  N      -7.150256      2.515661      6.351355
  C      -8.468257      2.504895      5.893865
  O      -8.947661      1.651435      5.146139
  C      -9.283837      3.652222      6.413979
  C      -8.830110      4.475448      7.454767
  C      -9.610816      5.542747      7.895046
  C     -10.839395      5.816160      7.291874
  C     -11.272681      4.994884      6.249531
  Br    -12.939886      5.388870      5.397089
  C     -10.521943      3.912792      5.808193
  H      -1.715709     -1.037594      5.125686
  H      -4.239640     -2.523321      1.827795
  H      -3.967109     -4.993564      2.097121
  H      -3.609056     -5.970422      4.360169
  H      -3.762849     -2.023894      6.086453
  H      -5.693635      4.257763      4.365802
  H      -9.051443      7.561812      4.170899
  H     -10.423389      9.140452      5.551980
  H      -9.592300      9.883204      7.782741
  H      -6.021825      7.514493      7.212011
  H      -6.450871      1.807538      4.488990
  H      -7.862610      4.266571      7.908345
  H      -9.256459      6.186131      8.701669
  H     -11.444860      6.661435      7.617216
  H     -10.862036      3.270440      4.996399
  N      -2.881130      2.784366      3.239514
72
Coordinates from ORCA-job orca E -13783.058853603190
  N      -1.586394      1.094990      5.339051
  Mo     -3.169005      2.419270      4.823733
  N      -4.927130      2.058061      5.875632
  C      -4.613664      2.479158      7.252927
  C      -3.126723      2.337272      7.625449
  N      -2.191582      3.144352      6.759762
  C      -0.768197      2.717439      6.879428
  C      -0.583206      1.286648      6.366465
  C      -2.333081      4.618962      7.025171
  C      -2.770337      5.286302      5.737135
  N      -3.810688      4.444430      5.171116
  H       0.437242      1.173185      5.966653
  H      -0.709366      0.547279      7.173129
  H      -0.192491      3.415404      6.256800
  H      -0.425966      2.820325      7.922089
  H      -3.158317      6.301458      5.908746
  H      -1.920736      5.350790      5.033677
  H      -3.096655      4.760388      7.800722
  H      -1.380271      5.011958      7.405596
  H      -5.177287      1.848135      7.958150
  H      -4.959955      3.513319      7.414183
  H      -2.826836      1.283613      7.553517
  H      -2.995408      2.652287      8.673110
  C      -2.147295     -0.039572      4.959849
  N      -3.308384      0.225090      4.366234
  C      -4.181736     -0.643516      3.730839
  O      -5.099790     -0.212889      3.043698
  C      -3.976043     -2.117672      3.926401
  C      -4.057646     -2.960433      2.809894
  C      -3.914036     -4.337176      2.966879
  C      -3.712491     -4.893140      4.233814
  C      -3.657380     -4.043940      5.337634
  Br     -3.411806     -4.784034      7.081095
  C      -3.779546     -2.662550      5.203278
  C      -5.015955      4.932594      4.906879
  N      -5.445506      6.123254      5.277507
  C      -6.690594      6.464028      4.770712
  O      -7.182889      6.018145      3.726087
  C      -7.457124      7.454852      5.601856
  C      -8.696306      7.914687      5.137716
  C      -9.456801      8.787401      5.912253
  C      -9.000555      9.207239      7.165237
  C      -7.767184      8.737043      7.614758
  Br     -7.141847      9.275357      9.346016
  C      -6.985062      7.876073      6.853241
  C      -6.230008      2.100815      5.526556
  N      -7.149904      2.515732      6.351700
  C      -8.467995      2.505324      5.894363
  O      -8.947581      1.652186      5.146389
  C      -9.283213      3.652761      6.414747
  C      -8.829448      4.475339      7.456031
  C      -9.609882      5.542696      7.896652
  C     -10.838190      5.816854      7.293249
  C     -11.271481      4.996278      6.250372
  Br    -12.938265      5.391409      5.397635
  C     -10.521062      3.914075      5.808739
  H      -1.714982     -1.037557      5.123617
  H      -4.238155     -2.523839      1.827314
  H      -3.966168     -4.994049      2.097413
  H      -3.609753     -5.970444      4.360937
  H      -3.764320     -2.023504      6.086182
  H      -5.693774      4.257717      4.365566
  H      -9.051148      7.562128      4.169205
  H     -10.423878      9.140286      5.550017
  H      -9.594104      9.882331      7.781479
  H      -6.023241      7.513837      7.211985
  H      -6.450757      1.807869      4.489116
  H      -7.862135      4.265889      7.909754
  H      -9.255518      6.185518      8.703720
  H     -11.443442      6.662173      7.618867
  H     -10.861244      3.272195      4.996615
  N      -2.881217      2.784422      3.239671
