133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 1
  B       3.720613     16.745254      5.303150
  B       6.387194     12.795887     13.382619
  B       4.751965      8.115565      8.350880
  B       5.099586     14.676857      1.966683
  C       6.414237     11.181274      6.368952
  H       7.222213     10.430503      6.358139
  C       6.211998     11.732404      7.791935
  H       6.774041     12.669241      7.940789
  H       6.580370     11.005864      8.527353
  C       4.242631     13.872134      8.034225
  H       3.320059     14.157688      8.565784
  H       5.076654     14.274025      8.639421
  C       4.261834     14.493084      6.640689
  H       3.442461     14.054935      6.045678
  H       5.195986     14.214989      6.123522
  C       4.135107     16.029614      6.665404
  H       5.037175     16.472389      7.127397
  H       3.294468     16.297414      7.348696
  C       4.334203     18.143008      4.924452
  C       2.600310     16.083694      4.397846
  C       4.258991     11.954508     10.069262
  H       3.289414     12.439108     10.290603
  H       4.139383     10.893345     10.334760
  C       5.384603     12.601506     10.897622
  H       6.362973     12.227578     10.547270
  H       5.394920     13.694194     10.732710
  C       5.238298     12.300918     12.397359
  H       5.191040     11.198078     12.546404
  H       4.255419     12.656424     12.771715
  C       7.744584     13.371973     12.817225
  C       6.157820     12.660327     14.935639
  C       5.345820      8.728593      4.962573
  H       4.472216      8.453784      4.343297
  H       6.170827      8.939342      4.256921
  C       5.726996      7.575469      5.882678
  H       5.887997      6.704139      5.219130
  H       6.713066      7.791703      6.327573
  C       4.708576      7.239110      6.979376
  H       4.914403      6.200992      7.304652
  H       3.696306      7.180755      6.532759
  C       6.296427      8.515308      8.781247
  H       6.783631      9.129570      7.996003
  C       6.493039      9.237615     10.132044
  H       6.095240      8.597763     10.942753
  H       5.899136     10.160753     10.173119
  C       7.965043      9.557899     10.441204
  H       8.358511     10.259478      9.675550
  H       8.047955     10.078876     11.413680
  C       8.819183      8.282944     10.443064
  H       8.510451      7.648045     11.296480
  H       9.885326      8.527550     10.599662
  C       8.629349      7.495164      9.139822
  H       9.195569      6.546544      9.181094
  H       9.050802      8.076465      8.294615
  C       7.144924      7.206113      8.856108
  H       7.059975      6.614437      7.930628
  H       6.738524      6.567367      9.664370
  C       3.999720      7.414490      9.651042
  H       4.877738      7.177163     10.290939
  C       3.331822      6.033407      9.436065
  H       4.036993      5.359385      8.917943
  H       2.449678      6.108379      8.777601
  C       2.902195      5.381799     10.762236
  H       2.405145      4.413914     10.566307
  H       3.805070      5.155895     11.363827
  C       1.982998      6.302920     11.576530
  H       1.690230      5.820739     12.526635
  H       1.043828      6.477022     11.011427
  C       2.670817      7.648707     11.845484
  H       3.556210      7.478735     12.489544
  H       1.998624      8.325249     12.406990
  C       3.123650      8.313656     10.536959
  H       3.666145      9.246420     10.770668
  H       2.235631      8.619284      9.964026
  C       4.761163     11.194758      3.946706
  H       5.571308     10.710289      3.370656
  H       3.822441     10.829528      3.495894
  C       4.887176     12.709466      3.787159
  H       5.868383     13.035625      4.176468
  H       4.132121     13.218804      4.400799
  C       4.745435     13.166476      2.326497
  H       3.746747     12.891433      1.930423
  H       5.451685     12.586312      1.686348
  C       6.055859     15.535375      2.886813
  C       4.540845     15.285969      0.626338
  Co      3.244728     10.493142      7.141786
  P       4.422760     12.024852      8.224709
  P       4.877897     10.392919      5.640500
  H       1.808414      7.205938      7.072669
  H       2.310551      9.376415      3.804561
  H       2.070632     13.127591      4.858168
  H       1.490770     10.953151     10.170146
  H       1.357301     13.222585      8.718952
  C       1.473004     11.651831      7.226111
  C       1.731279     11.238031      5.875948
  C       1.738297      9.788116      5.857789
  C       1.446027      9.331567      7.185576
  C       1.759539      8.914629      4.638705
  C       1.628171     12.136866      4.681322
  C       1.108814     13.038756      7.662647
  C       1.316525     10.480645      8.048640
  C       0.775031     10.526162      9.450851
  C       1.101472      7.918776      7.520861
  H       0.496520      9.526246      9.811114
  H       1.074612      7.743089      8.602908
  H       2.084554     11.704505      3.781003
  H       2.206147      7.931549      4.852564
  H       1.574282     13.815704      7.040026
  H       0.012260     13.151576      7.563712
  H      -0.133589     11.154973      9.468083
  H       0.555733     12.294673      4.458926
  H       0.723941      8.740834      4.290795
  H       0.098800      7.699288      7.107980
  H       6.707638     11.986268      5.675979
  H       4.094562      9.303868      8.010646
  H       3.104906     15.354162      3.728728
  H       2.080704     16.797696      3.735735
  H       1.843989     15.506213      4.962149
  H       4.227197     18.418686      3.860868
  H       5.383230     18.281954      5.240738
  H       3.744791     18.896145      5.495354
  H       3.631184     15.859035      0.916374
  H       4.215563     14.547463     -0.127330
  H       5.214040     16.024395      0.154795
  H       5.982799     15.332227      3.970877
  H       5.983716     16.623268      2.719242
  H       7.091704     15.248898      2.597374
  H       8.319531     12.507150     12.417669
  H       8.387058     13.860849     13.569174
  H       7.613514     14.055124     11.956769
  H       5.314364     12.016165     15.239715
  H       5.936227     13.684248     15.310531
  H       7.070178     12.349701     15.478355
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 2
  B       3.723410     16.747072      5.303252
  B       6.387913     12.793740     13.379679
  B       4.768860      8.093890      8.362064
  B       5.096491     14.674126      1.967885
  C       6.410793     11.174367      6.366995
  H       7.216918     10.421557      6.356628
  C       6.209875     11.727708      7.789330
  H       6.774513     12.663122      7.937260
  H       6.576111     11.001264      8.525959
  C       4.244710     13.872430      8.033159
  H       3.323267     14.158920      8.566280
  H       5.080249     14.273113      8.637059
  C       4.262084     14.493851      6.639780
  H       3.441239     14.056691      6.046071
  H       5.195062     14.214900      6.120942
  C       4.137171     16.030542      6.665243
  H       5.040046     16.471943      7.127017
  H       3.297222     16.298944      7.349117
  C       4.340320     18.143187      4.923800
  C       2.601187     16.087662      4.398764
  C       4.259719     11.952184     10.066128
  H       3.290284     12.436122     10.289488
  H       4.140441     10.890555     10.329937
  C       5.385699     12.598401     10.894490
  H       6.363959     12.224437     10.543782
  H       5.396358     13.691136     10.729975
  C       5.239688     12.297651     12.394235
  H       5.192466     11.194826     12.543425
  H       4.256703     12.652961     12.768594
  C       7.743927     13.373382     12.814575
  C       6.159198     12.656330     14.932655
  C       5.335967      8.723387      4.964789
  H       4.458018      8.443897      4.353874
  H       6.154879      8.931883      4.251512
  C       5.728170      7.574122      5.885553
  H       5.892345      6.702995      5.222646
  H       6.714651      7.797092      6.326440
  C       4.716456      7.231106      6.986194
  H       4.925222      6.191800      7.307102
  H       3.700997      7.173397      6.547564
  C       6.305076      8.509228      8.787247
  H       6.785625      9.126260      8.000447
  C       6.499882      9.231579     10.138060
  H       6.107174      8.588864     10.948963
  H       5.900810     10.151408     10.180199
  C       7.970744      9.559434     10.444223
  H       8.358736     10.263727      9.678334
  H       8.052822     10.080040     11.416895
  C       8.831716      8.289057     10.443345
  H       8.527977      7.651601     11.296639
  H       9.896774      8.539261     10.598288
  C       8.644244      7.501563      9.139566
  H       9.215753      6.556071      9.178838
  H       9.060849      8.086114      8.294247
  C       7.161130      7.204154      8.857812
  H       7.077838      6.614723      7.930670
  H       6.759610      6.561319      9.665257
  C       4.010348      7.403427      9.657065
  H       4.884255      7.158869     10.300327
  C       3.330363      6.028902      9.437953
  H       4.033837      5.347491      8.927073
  H       2.456017      6.112656      8.770432
  C       2.880992      5.383096     10.760215
  H       2.374830      4.420848     10.560102
  H       3.775409      5.147301     11.370571
  C       1.964825      6.315343     11.565257
  H       1.657048      5.836858     12.512451
  H       1.033260      6.500488     10.991138
  C       2.666373      7.652597     11.841165
  H       3.543358      7.471370     12.493575
  H       1.997339      8.337095     12.396729
  C       3.139735      8.313610     10.537997
  H       3.694968      9.236856     10.778838
  H       2.262360      8.634789      9.957376
  C       4.756689     11.190498      3.945318
  H       5.566851     10.706282      3.369063
  H       3.817729     10.825687      3.494491
  C       4.882260     12.705378      3.787040
  H       5.863152     13.031531      4.177172
  H       4.126647     13.213592      4.400970
  C       4.741002     13.163871      2.326782
  H       3.742277     12.889633      1.930269
  H       5.447134     12.583890      1.686291
  C       6.054339     15.530927      2.888034
  C       4.536936     15.285223      0.628752
  Co      3.240167     10.498818      7.138075
  P       4.421269     12.024533      8.221625
  P       4.871707     10.390058      5.639821
  H       1.802029      7.209742      7.065431
  H       2.302427      9.382171      3.803257
  H       2.058214     13.135078      4.859193
  H       1.494695     10.962153     10.169260
  H       1.357652     13.226212      8.721220
  C       1.468436     11.657045      7.226365
  C       1.723201     11.244183      5.875634
  C       1.731874      9.794240      5.857109
  C       1.444884      9.336431      7.185751
  C       1.750365      8.921537      4.637366
  C       1.619460     12.142933      4.680865
  C       1.105952     13.043721      7.665414
  C       1.316050     10.485027      8.049176
  C       0.779680     10.528104      9.453442
  C       1.101943      7.923503      7.522892
  H       0.510719      9.526491      9.816318
  H       1.087791      7.746526      8.605004
  H       2.080270     11.712430      3.781827
  H       2.193900      7.936828      4.850207
  H       1.570403     13.821099      7.042492
  H       0.009244     13.157636      7.569767
  H      -0.134073     11.149400      9.473600
  H       0.547237     12.297173      4.455020
  H       0.714186      8.751060      4.289553
  H       0.093864      7.705969      7.122373
  H       6.706383     11.977883      5.673229
  H       4.088761      9.317869      7.996933
  H       3.103096     15.353620      3.732582
  H       2.084954     16.801660      3.734041
  H       1.842172     15.515150      4.964522
  H       4.233590     18.418823      3.860176
  H       5.389814     18.279615      5.239657
  H       3.753025     18.897945      5.494745
  H       3.628503     15.859391      0.920422
  H       4.209648     14.547869     -0.125173
  H       5.210659     16.023076      0.157049
  H       5.981082     15.327529      3.972039
  H       5.983840     16.618988      2.720860
  H       7.089689     15.242875      2.598421
  H       8.320721     12.510308     12.413915
  H       8.385506     13.862941     13.566846
  H       7.611052     14.057112     11.954857
  H       5.316988     12.010371     15.236378
  H       5.935889     13.679499     15.308574
  H       7.072260     12.346855     15.474853
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 3
  B       3.726043     16.748425      5.302176
  B       6.388872     12.790362     13.376908
  B       4.785813      8.071757      8.373552
  B       5.092970     14.672423      1.970108
  C       6.407449     11.166840      6.364819
  H       7.211336     10.411593      6.354936
  C       6.208025     11.722415      7.786505
  H       6.775630     12.656164      7.933565
  H       6.571799     10.995881      8.524325
  C       4.247726     13.872831      8.031649
  H       3.327817     14.160627      8.566826
  H       5.085271     14.272218      8.633623
  C       4.262551     14.494238      6.638187
  H       3.439896     14.057879      6.046376
  H       5.194030     14.214121      6.117253
  C       4.139646     16.031091      6.663770
  H       5.043423     16.471318      7.124930
  H       3.300603     16.300583      7.348337
  C       4.342963     18.144795      4.923547
  C       2.603347     16.089746      4.397703
  C       4.260958     11.949839     10.062754
  H       3.291738     12.433193     10.288252
  H       4.141916     10.887705     10.324724
  C       5.387363     12.594968     10.891263
  H       6.365487     12.220846     10.540251
  H       5.398563     13.687774     10.727316
  C       5.241348     12.293800     12.390941
  H       5.193829     11.190971     12.540028
  H       4.258289     12.649094     12.765211
  C       7.743850     13.373150     12.812532
  C       6.160276     12.651155     14.929768
  C       5.325249      8.717996      4.966916
  H       4.442762      8.433896      4.364798
  H       6.137764      8.923944      4.245726
  C       5.728717      7.572685      5.888233
  H       5.895932      6.701815      5.225879
  H       6.715650      7.802418      6.324871
  C       4.724047      7.222948      6.993081
  H       4.935712      6.182340      7.309271
  H       3.705333      7.165932      6.562740
  C       6.314100      8.502573      8.793633
  H       6.787724      9.122440      8.005208
  C       6.507271      9.224990     10.144459
  H       6.119787      8.579443     10.955617
  H       5.903086     10.141535     10.187719
  C       7.976982      9.560446     10.447437
  H       8.359340     10.267455      9.681290
  H       8.058335     10.080658     11.420313
  C       8.844807      8.294719     10.443652
  H       8.546196      7.654671     11.296808
  H       9.908751      8.550556     10.596848
  C       8.659597      7.507596      9.139300
  H       9.236441      6.565301      9.176433
  H       9.071183      8.095457      8.293872
  C       7.177832      7.201737      8.859659
  H       7.096077      6.614638      7.930809
  H       6.781399      6.554719      9.666273
  C       4.020746      7.391537      9.663624
  H       4.890554      7.139351     10.309967
  C       3.327964      6.024113      9.440163
  H       4.029136      5.335011      8.936312
  H       2.461517      6.117153      8.763817
  C       2.858757      5.384522     10.758366
  H       2.342960      4.428348     10.553995
  H       3.744453      5.138353     11.377272
  C       1.946513      6.328361     11.554360
  H       1.623656      5.853865     12.498507
  H       1.022796      6.525018     10.971453
  C       2.662375      7.656499     11.837408
  H       3.530698      7.463568     12.497967
  H       1.997084      8.349217     12.387208
  C       3.156437      8.313195     10.539799
  H       3.724910      9.226233     10.787940
  H       2.290157      8.650486      9.951792
  C       4.752385     11.186486      3.943729
  H       5.562601     10.702558      3.367289
  H       3.813201     10.822273      3.492706
  C       4.877622     12.701584      3.787193
  H       5.858473     13.027440      4.177698
  H       4.121889     13.208495      4.402135
  C       4.735956     13.162233      2.327649
  H       3.736799     12.889356      1.931305
  H       5.441264     12.582446      1.686031
  C       6.053944     15.526584      2.889514
  C       4.532247     15.286044      0.632594
  Co      3.235472     10.505281      7.133976
  P       4.420155     12.024321      8.218294
  P       4.865296     10.387294      5.638885
  H       1.795432      7.214728      7.059145
  H       2.293683      9.387868      3.802053
  H       2.045963     13.142810      4.859320
  H       1.498808     10.973703     10.167862
  H       1.358248     13.231195      8.722577
  C       1.463946     11.663342      7.226058
  C       1.714900     11.250913      5.874843
  C       1.725020      9.800949      5.856421
  C       1.443368      9.342385      7.186101
  C       1.740516      8.928696      4.636262
  C       1.610849     12.149260      4.679673
  C       1.103474     13.049946      7.667265
  C       1.315540     10.490764      8.049537
  C       0.784727     10.531689      9.455969
  C       1.102271      7.929418      7.525684
  H       0.526326      9.528404      9.821959
  H       1.101052      7.751504      8.607768
  H       2.076221     11.720335      3.782141
  H       2.180811      7.942345      4.848324
  H       1.567224     13.827531      7.043999
  H       0.006670     13.165211      7.574701
  H      -0.134594     11.144671      9.479125
  H       0.538922     12.299983      4.450127
  H       0.703722      8.761635      4.288636
  H       0.088918      7.713510      7.137841
  H       6.705651     11.968741      5.670300
  H       4.082725      9.330894      7.982874
  H       3.103600     15.351136      3.735376
  H       2.090321     16.802889      3.729625
  H       1.841717     15.521916      4.964707
  H       4.238224     18.419811      3.859547
  H       5.391645     18.282299      5.241576
  H       3.753622     18.899362      5.492651
  H       3.625385     15.861551      0.926485
  H       4.202342     14.550151     -0.121617
  H       5.206533     16.023203      0.160597
  H       5.981616     15.322496      3.973443
  H       5.985447     16.614913      2.723288
  H       7.088327     15.236579      2.598426
  H       8.322348     12.511602     12.411050
  H       8.384429     13.863208     13.565333
  H       7.609704     14.057438     11.953460
  H       5.318902     12.003797     15.232842
  H       5.935662     13.673649     15.306731
  H       7.073725     12.342322     15.471691
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 4
  B       3.724726     16.748968      5.298831
  B       6.382821     12.789864     13.374401
  B       4.806589      8.051143      8.387691
  B       5.089363     14.668462      1.970995
  C       6.404565     11.160043      6.363090
  H       7.206560     10.402721      6.355120
  C       6.205188     11.719047      7.783461
  H       6.774685     12.651856      7.929116
  H       6.566787     10.993498      8.523397
  C       4.247556     13.873507      8.028673
  H       3.328548     14.161700      8.565306
  H       5.086332     14.272410      8.629247
  C       4.260100     14.494837      6.635096
  H       3.436306     14.058569      6.044776
  H       5.190593     14.214297      6.112589
  C       4.137830     16.031741      6.660601
  H       5.041844     16.471647      7.121636
  H       3.298987     16.301619      7.345252
  C       4.342278     18.145023      4.919917
  C       2.601992     16.090340      4.394383
  C       4.259437     11.947191     10.057763
  H       3.288960     12.427283     10.284779
  H       4.143197     10.884154     10.317368
  C       5.383867     12.593931     10.887575
  H       6.363182     12.222812     10.536579
  H       5.392475     13.686959     10.725030
  C       5.237808     12.290757     12.386867
  H       5.192957     11.187666     12.534908
  H       4.253484     12.643010     12.760758
  C       7.735804     13.379248     12.812093
  C       6.153577     12.647383     14.926897
  C       5.318220      8.711577      4.970660
  H       4.431706      8.420891      4.377744
  H       6.124048      8.915173      4.241440
  C       5.734394      7.572063      5.894033
  H       5.906400      6.700944      5.233369
  H       6.721124      7.810660      6.326641
  C       4.736728      7.215451      7.003017
  H       4.951904      6.173848      7.314987
  H       3.715046      7.158046      6.580555
  C       6.326786      8.498647      8.803148
  H       6.793314      9.121135      8.012869
  C       6.517441      9.222243     10.153548
  H       6.135085      8.574400     10.965309
  H       5.907838     10.135322     10.196921
  C       7.985660      9.566262     10.453699
  H       8.362261     10.275602      9.686931
  H       8.065601     10.086830     11.426435
  C       8.860969      8.305688     10.448272
  H       8.567394      7.663452     11.301527
  H       9.923551      8.567803     10.600113
  C       8.679118      7.518067      9.143728
  H       9.261818      6.579366      9.179532
  H       9.085711      8.108979      8.298066
  C       7.199071      7.202706      8.865635
  H       7.119647      6.617571      7.935243
  H       6.807833      6.551573      9.671475
  C       4.034645      7.380990      9.673214
  H       4.899775      7.123193     10.324054
  C       3.331067      6.019825      9.445557
  H       4.031296      5.323277      8.950549
  H       2.473755      6.120616      8.758913
  C       2.840607      5.387416     10.759306
  H       2.316726      4.436628     10.550600
  H       3.716605      5.132582     11.388406
  C       1.930092      6.342508     11.543820
  H       1.591295      5.872769     12.484727
  H       1.015137      6.548831     10.950521
  C       2.657985      7.662543     11.833919
  H       3.516500      7.459827     12.504261
  H       1.994807      8.363258     12.376048
  C       3.174103      8.313853     10.542222
  H       3.753934      9.217467     10.797900
  H       2.319857      8.665277      9.944994
  C       4.749839     11.180561      3.941687
  H       5.560947     10.697520      3.365730
  H       3.811067     10.815880      3.490003
  C       4.873383     12.695964      3.786549
  H       5.853690     13.022499      4.177875
  H       4.116738     13.201072      4.401947
  C       4.731787     13.158200      2.327498
  H       3.732679     12.885736      1.930767
  H       5.437150     12.578999      1.685364
  C       6.051734     15.521458      2.890046
  C       4.527732     15.283601      0.634509
  Co      3.231186     10.510426      7.128687
  P       4.417508     12.024590      8.213545
  P       4.860468     10.383577      5.637892
  H       1.795151      7.216817      7.052229
  H       2.288888      9.390525      3.799298
  H       2.032989     13.147483      4.857602
  H       1.499638     10.982901     10.164030
  H       1.356089     13.232470      8.721765
  C       1.458549     11.665977      7.223682
  C       1.707107     11.254303      5.872087
  C       1.720044      9.804342      5.853712
  C       1.443447      9.344676      7.184226
  C       1.734351      8.932461      4.633223
  C       1.602658     12.152087      4.676408
  C       1.098659     13.052175      7.666901
  C       1.314654     10.492679      8.047602
  C       0.788206     10.530921      9.455726
  C       1.106492      7.931084      7.526123
  H       0.542403      9.525694      9.825108
  H       1.116670      7.752704      8.608139
  H       2.073693     11.725162      3.780786
  H       2.172062      7.944873      4.845012
  H       1.561180     13.830334      7.043355
  H       0.001689     13.167812      7.577156
  H      -0.137993     11.133455      9.480819
  H       0.531076     12.298190      4.442362
  H       0.697372      8.767871      4.284972
  H       0.089216      7.714323      7.149261
  H       6.705588     11.959791      5.667311
  H       4.078440      9.343816      7.970535
  H       3.101650     15.348327      3.735413
  H       2.091573     16.802491      3.723280
  H       1.838290     15.525932      4.962013
  H       4.238392     18.419484      3.855684
  H       5.390753     18.282477      5.238661
  H       3.752644     18.900026      5.488138
  H       3.621131     15.858868      0.929643
  H       4.197121     14.548458     -0.120135
  H       5.201761     16.021090      0.162667
  H       5.980848     15.316525      3.973891
  H       5.983288     16.609940      2.724754
  H       7.085643     15.231499      2.597227
  H       8.318588     12.520540     12.410708
  H       8.373332     13.871430     13.566106
  H       7.599752     14.063604     11.953395
  H       5.314802     11.995868     15.228290
  H       5.923947     13.668338     15.305023
  H       7.067867     12.341937     15.469310
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 5
  B       3.723293     16.748999      5.295283
  B       6.375888     12.786694     13.372870
  B       4.827333      8.031471      8.401986
  B       5.085845     14.665162      1.971538
  C       6.401336     11.154519      6.361476
  H       7.202046     10.395778      6.354597
  C       6.201990     11.715779      7.780943
  H       6.773522     12.647432      7.926013
  H       6.561210     10.990559      8.522424
  C       4.246965     13.874116      8.026220
  H       3.328581     14.162697      8.563854
  H       5.086683     14.272721      8.625676
  C       4.257818     14.494931      6.632328
  H       3.433164     14.058517      6.043288
  H       5.187543     14.213689      6.108775
  C       4.136409     16.031887      6.657066
  H       5.040808     16.471560      7.117598
  H       3.297999     16.302662      7.341920
  C       4.340255     18.145372      4.916443
  C       2.600754     16.089884      4.390888
  C       4.257536     11.943691     10.053025
  H       3.285572     12.419890     10.281805
  H       4.144648     10.879571     10.309670
  C       5.379668     12.592024     10.884579
  H       6.360329     12.224461     10.533466
  H       5.385322     13.685366     10.724096
  C       5.233482     12.285840     12.383280
  H       5.191099     11.182404     12.529535
  H       4.247928     12.634932     12.756976
  C       7.726802     13.383192     12.813079
  C       6.146491     12.638503     14.924838
  C       5.311022      8.705948      4.974616
  H       4.420571      8.409050      4.390823
  H       6.110264      8.906915      4.237549
  C       5.739413      7.572096      5.899889
  H       5.915681      6.700739      5.240797
  H       6.726030      7.819069      6.328292
  C       4.748845      7.209006      7.013158
  H       4.967119      6.166255      7.320617
  H       3.724147      7.151646      6.598811
  C       6.339810      8.494806      8.812552
  H       6.799169      9.119643      8.020206
  C       6.528908      9.219488     10.162469
  H       6.151938      8.569429     10.974993
  H       5.914284     10.129323     10.206463
  C       7.995869      9.571559     10.459007
  H       8.366506     10.283063      9.691418
  H       8.075106     10.092461     11.431558
  C       8.878221      8.315899     10.451479
  H       8.589991      7.671656     11.305039
  H       9.939577      8.583956     10.601332
  C       8.698703      7.527756      9.146914
  H       9.286913      6.592472      9.181145
  H       9.100001      8.121440      8.300719
  C       7.220167      7.203421      8.871291
  H       7.142271      6.619978      7.939606
  H       6.834342      6.548598      9.676759
  C       4.048588      7.371368      9.683290
  H       4.909239      7.107953     10.338226
  C       3.334077      6.016664      9.451667
  H       4.032851      5.312608      8.965140
  H       2.485730      6.125131      8.755272
  C       2.822992      5.391653     10.760924
  H       2.290933      4.446408     10.547952
  H       3.689294      5.128156     11.399785
  C       1.914874      6.358076     11.534293
  H       1.560410      5.893312     12.471867
  H       1.008782      6.574177     10.930946
  C       2.654990      7.669701     11.831411
  H       3.503779      7.457044     12.510965
  H       1.994511      8.378441     12.366311
  C       3.192584      8.315493     10.545704
  H       3.783986      9.209168     10.809110
  H       2.350403      8.681467      9.940087
  C       4.747723     11.175257      3.939365
  H       5.559890     10.693011      3.364201
  H       3.809474     10.809978      3.486901
  C       4.869542     12.690941      3.785449
  H       5.849208     13.018269      4.177739
  H       4.111859     13.194232      4.401153
  C       4.728198     13.154671      2.326852
  H       3.729306     12.882285      1.929543
  H       5.433937     12.576271      1.684367
  C       6.049132     15.516987      2.890795
  C       4.523894     15.281671      0.635796
  Co      3.226731     10.516347      7.122918
  P       4.414495     12.024851      8.209197
  P       4.855598     10.380821      5.636803
  H       1.793076      7.219458      7.044854
  H       2.284197      9.392435      3.796474
  H       2.019948     13.151643      4.853898
  H       1.498567     10.996381     10.158927
  H       1.352584     13.235095      8.718926
  C       1.452974     11.669446      7.219963
  C       1.699139     11.257732      5.868246
  C       1.715188      9.807751      5.850740
  C       1.443554      9.347782      7.182308
  C       1.728453      8.935672      4.630331
  C       1.594253     12.154402      4.671659
  C       1.093318     13.055401      7.664379
  C       1.313716     10.495860      8.044981
  C       0.791298     10.531796      9.454610
  C       1.110707      7.933894      7.527597
  H       0.560609      9.524638      9.828480
  H       1.134657      7.755302      8.609390
  H       2.070678     11.729055      3.778050
  H       2.163930      7.947099      4.842291
  H       1.555037     13.833967      7.040663
  H      -0.003752     13.171305      7.576579
  H      -0.143174     11.121463      9.480781
  H       0.523023     12.295958      4.433265
  H       0.691334      8.773079      4.281581
  H       0.088595      7.716954      7.164203
  H       6.704350     11.952869      5.664952
  H       4.074013      9.357409      7.958266
  H       3.099092     15.342577      3.736976
  H       2.093749     16.800271      3.715383
  H       1.834250     15.530774      4.960037
  H       4.239008     18.418069      3.851480
  H       5.387563     18.284950      5.238022
  H       3.747553     18.900341      5.481518
  H       3.618151     15.857770      0.931906
  H       4.192048     14.547368     -0.119117
  H       5.198426     16.018754      0.164014
  H       5.977406     15.312003      3.974581
  H       5.982063     16.605569      2.725638
  H       7.082826     15.225700      2.598588
  H       8.313254     12.528093     12.409346
  H       8.361974     13.875714     13.568857
  H       7.588309     14.069535     11.956363
  H       5.310000     11.982947     15.223818
  H       5.913036     13.657376     15.306196
  H       7.061685     12.334641     15.466638
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 6
  B       3.722798     16.749462      5.291542
  B       6.369540     12.784306     13.370790
  B       4.847982      8.012183      8.417158
  B       5.081338     14.661087      1.971391
  C       6.398328     11.148894      6.359880
  H       7.197836     10.388831      6.354061
  C       6.198938     11.712293      7.778463
  H       6.772837     12.642537      7.923219
  H       6.555301     10.987130      8.521454
  C       4.246872     13.875033      8.023515
  H       3.329417     14.164192      8.562564
  H       5.087876     14.273161      8.621478
  C       4.255535     14.495429      6.629341
  H       3.429672     14.059082      6.041916
  H       5.184208     14.213388      6.104298
  C       4.135165     16.032468      6.653586
  H       5.039891     16.471675      7.113951
  H       3.297017     16.304019      7.338450
  C       4.339803     18.145900      4.912907
  C       2.600533     16.090177      4.386908
  C       4.255798     11.940546     10.048113
  H       3.282237     12.412561     10.278694
  H       4.146591     10.875324     10.301843
  C       5.375565     12.590732     10.881289
  H       6.357591     12.226881     10.529994
  H       5.378042     13.684365     10.722796
  C       5.229520     12.281641     12.379438
  H       5.189796     11.177874     12.524002
  H       4.242774     12.627476     12.753080
  C       7.718359     13.387568     12.813174
  C       6.140073     12.631182     14.922295
  C       5.304220      8.699945      4.979095
  H       4.410018      8.396593      4.404497
  H       6.096925      8.898030      4.234309
  C       5.744614      7.572289      5.906804
  H       5.925491      6.700468      5.249716
  H       6.730852      7.827911      6.331250
  C       4.760696      7.203259      7.024101
  H       4.981094      6.159088      7.326693
  H       3.733112      7.146801      6.617556
  C       6.352919      8.490610      8.823031
  H       6.805379      9.117531      8.028600
  C       6.540607      9.216512     10.172355
  H       6.168454      8.564704     10.985713
  H       5.921534     10.123482     10.216629
  C       8.006404      9.575866     10.465484
  H       8.371560     10.289176      9.697025
  H       8.085053     10.097199     11.437789
  C       8.895077      8.324661     10.456177
  H       8.611630      7.678665     11.310012
  H       9.955280      8.598085     10.604299
  C       8.717810      7.536007      9.151596
  H       9.310982      6.603848      9.184450
  H       9.114322      8.132173      8.304948
  C       7.240700      7.203485      8.878094
  H       7.164223      6.621854      7.945056
  H       6.859902      6.545086      9.683048
  C       4.062181      7.361752      9.694156
  H       4.917835      7.093123     10.353895
  C       3.337077      6.013505      9.458291
  H       4.034440      5.301910      8.980633
  H       2.498164      6.129518      8.751854
  C       2.804940      5.396278     10.762688
  H       2.265022      4.456556     10.545273
  H       3.661084      5.124465     11.411655
  C       1.898965      6.373997     11.524315
  H       1.528612      5.914539     12.458330
  H       1.002195      6.599438     10.910528
  C       2.650647      7.677363     11.828550
  H       3.489296      7.455384     12.517613
  H       1.992581      8.394054     12.355738
  C       3.209857      8.317049     10.549008
  H       3.811670      9.201327     10.819957
  H       2.379972      8.696241      9.934534
  C       4.745742     11.169477      3.937047
  H       5.558775     10.687861      3.362545
  H       3.807879     10.803699      3.484016
  C       4.865954     12.685419      3.784160
  H       5.845340     13.013425      4.176594
  H       4.107812     13.187076      4.400734
  C       4.723721     13.150478      2.326075
  H       3.724696     12.878212      1.929039
  H       5.429257     12.572717      1.682750
  C       6.046525     15.511850      2.889678
  C       4.517958     15.278695      0.636726
  Co      3.222277     10.522314      7.117120
  P       4.411667     12.025407      8.204635
  P       4.850991     10.377807      5.635766
  H       1.792220      7.222268      7.037013
  H       2.279773      9.395359      3.793052
  H       2.007692     13.156502      4.850916
  H       1.496621     11.008800     10.153639
  H       1.349745     13.237177      8.716839
  C       1.447458     11.672789      7.216513
  C       1.691532     11.261584      5.864519
  C       1.710400      9.811608      5.847262
  C       1.443478      9.350804      7.179624
  C       1.722792      8.939678      4.626691
  C       1.586422     12.157587      4.667342
  C       1.088353     13.058420      7.662624
  C       1.312440     10.498620      8.042058
  C       0.793820     10.531891      9.453091
  C       1.115048      7.936387      7.527585
  H       0.578193      9.522931      9.831095
  H       1.151340      7.757501      8.609019
  H       2.068139     11.734016      3.775635
  H       2.156074      7.950106      4.838651
  H       1.549281     13.837464      7.038835
  H      -0.008812     13.174830      7.577069
  H      -0.148726     11.108610      9.480376
  H       0.515611     12.294896      4.424656
  H       0.685564      8.779107      4.277340
  H       0.088939      7.718626      7.176201
  H       6.703209     11.945911      5.662644
  H       4.069497      9.371338      7.947215
  H       3.097918     15.338457      3.737375
  H       2.096723     16.799160      3.707582
  H       1.831456     15.535546      4.957006
  H       4.240585     18.417562      3.847476
  H       5.386305     18.286580      5.236594
  H       3.745192     18.900940      5.475891
  H       3.612820     15.854942      0.934366
  H       4.184853     14.544980     -0.118210
  H       5.192189     16.015791      0.164529
  H       5.975875     15.306651      3.973483
  H       5.980178     16.600527      2.724876
  H       7.079621     15.219733      2.596203
  H       8.308318     12.535953     12.407209
  H       8.351338     13.880517     13.570511
  H       7.577369     14.075716     11.958316
  H       5.305850     11.971797     15.219202
  H       5.902793     13.648169     15.306304
  H       7.056149     12.329192     15.463662
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 7
  B       3.722629     16.750023      5.288503
  B       6.363023     12.781805     13.368940
  B       4.868448      7.993275      8.432426
  B       5.076346     14.657368      1.971176
  C       6.395370     11.144035      6.358526
  H       7.194025     10.383019      6.353406
  C       6.195765     11.708866      7.776457
  H       6.772034     12.637604      7.921449
  H       6.549099     10.983375      8.520648
  C       4.246536     13.875878      8.021291
  H       3.329695     14.165459      8.561305
  H       5.088468     14.273537      8.618249
  C       4.253689     14.496011      6.626904
  H       3.426926     14.059768      6.040639
  H       5.181582     14.213269      6.100809
  C       4.134276     16.033127      6.650789
  H       5.039307     16.471866      7.111034
  H       3.296363     16.305338      7.335670
  C       4.340925     18.145788      4.909382
  C       2.599997     16.091114      4.384041
  C       4.253806     11.937079     10.043532
  H       3.278568     12.404671     10.275953
  H       4.148529     10.870729     10.294280
  C       5.371128     12.589240     10.878334
  H       6.354539     12.229193     10.526867
  H       5.370306     13.683147     10.721795
  C       5.225308     12.277296     12.375945
  H       5.188397     11.173207     12.518871
  H       4.237364     12.619781     12.749558
  C       7.709788     13.391528     12.813359
  C       6.133494     12.624218     14.920014
  C       5.298226      8.694450      4.983698
  H       4.400632      8.384678      4.417944
  H       6.084684      8.889684      4.231649
  C       5.750112      7.573090      5.913992
  H       5.935775      6.700794      5.259010
  H       6.735753      7.837266      6.334832
  C       4.772324      7.198408      7.034921
  H       4.993898      6.152517      7.332139
  H       3.741999      7.143743      6.635793
  C       6.365881      8.486495      8.833752
  H       6.811428      9.115502      8.037261
  C       6.552287      9.213595     10.182480
  H       6.184916      8.560137     10.996702
  H       5.928886     10.117754     10.227053
  C       8.016925      9.580131     10.472111
  H       8.376533     10.295297      9.702845
  H       8.095112     10.101772     11.444231
  C       8.911865      8.333397     10.460741
  H       8.633319      7.685565     11.314794
  H       9.970909      8.612152     10.607030
  C       8.736662      7.544406      9.156066
  H       9.334846      6.615432      9.187326
  H       9.128189      8.143149      8.308974
  C       7.261005      7.203667      8.884941
  H       7.185752      6.623838      7.950577
  H       6.885433      6.541716      9.689441
  C       4.075603      7.351940      9.705061
  H       4.925987      7.078698     10.370033
  C       3.340590      6.009946      9.464829
  H       4.036627      5.291037      8.996123
  H       2.511264      6.133091      8.748413
  C       2.787635      5.400605     10.764114
  H       2.240447      4.466196     10.542187
  H       3.633448      5.121104     11.423254
  C       1.883436      6.389242     11.513689
  H       1.497347      5.935241     12.443968
  H       0.996233      6.623348     10.889310
  C       2.645733      7.684714     11.825044
  H       3.474107      7.454182     12.523625
  H       1.989766      8.409045     12.344313
  C       3.226150      8.318042     10.551773
  H       3.837193      9.193525     10.830096
  H       2.408483      8.709150      9.928343
  C       4.744037     11.164111      3.934783
  H       5.558147     10.683393      3.361021
  H       3.806737     10.797546      3.481066
  C       4.862179     12.680356      3.782947
  H       5.841235     13.009312      4.175431
  H       4.103483     13.180172      4.400456
  C       4.718824     13.146662      2.325370
  H       3.719577     12.874548      1.928799
  H       5.423990     12.569447      1.681114
  C       6.043785     15.507081      2.888089
  C       4.510820     15.276117      0.637911
  Co      3.217910     10.528140      7.111217
  P       4.408670     12.025893      8.200399
  P       4.846721     10.375181      5.634757
  H       1.792500      7.224830      7.028172
  H       2.275974      9.399035      3.788939
  H       1.995770     13.161630      4.848328
  H       1.493941     11.019798     10.148059
  H       1.346659     13.238324      8.715228
  C       1.441889     11.675645      7.213081
  C       1.684160     11.265450      5.860693
  C       1.705977      9.815500      5.843173
  C       1.443547      9.353376      7.176091
  C       1.717805      8.944082      4.622190
  C       1.578838     12.161148      4.663195
  C       1.083157     13.060772      7.661300
  C       1.311044     10.500600      8.038696
  C       0.795999     10.530735      9.451039
  C       1.119818      7.938219      7.526040
  H       0.595580      9.520044      9.832796
  H       1.167546      7.758839      8.606976
  H       2.065735     11.739573      3.773261
  H       2.149119      7.953573      4.833936
  H       1.543195     13.840526      7.037662
  H      -0.014113     13.177579      7.578030
  H      -0.154535     11.094228      9.479502
  H       0.508475     12.294377      4.416332
  H       0.680533      8.785386      4.272125
  H       0.090272      7.719239      7.185707
  H       6.701694     11.940157      5.660905
  H       4.064606      9.385438      7.936409
  H       3.095955     15.335026      3.738523
  H       2.099462     16.799019      3.701207
  H       1.828319     15.541142      4.955154
  H       4.242757     18.416745      3.843668
  H       5.387233     18.286082      5.233862
  H       3.746239     18.901585      5.471277
  H       3.606264     15.852233      0.937549
  H       4.176270     14.542973     -0.116949
  H       5.184347     16.013423      0.165043
  H       5.975062     15.301399      3.971916
  H       5.977762     16.595873      2.723924
  H       7.076142     15.214487      2.592498
  H       8.303150     12.543232     12.405417
  H       8.340625     13.885007     13.572138
  H       7.566401     14.081262     11.960181
  H       5.301434     11.961258     15.215037
  H       5.892610     13.639449     15.306401
  H       7.050404     12.324070     15.461006
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 8
  B       3.721896     16.750422      5.285790
  B       6.356965     12.778612     13.367105
  B       4.888475      7.974907      8.447584
  B       5.072123     14.654384      1.970875
  C       6.392079     11.139931      6.357184
  H       7.190114     10.378216      6.352279
  C       6.192274     11.705393      7.774766
  H       6.771074     12.632422      7.920601
  H       6.542374     10.979057      8.519741
  C       4.245989     13.876681      8.019558
  H       3.329960     14.166753      8.560818
  H       5.089076     14.273829      8.615218
  C       4.251224     14.496444      6.624908
  H       3.423373     14.060267      6.040100
  H       5.178168     14.212932      6.097489
  C       4.132810     16.033632      6.648320
  H       5.038139     16.471919      7.108437
  H       3.295110     16.306587      7.333165
  C       4.340713     18.146002      4.906715
  C       2.599269     16.091608      4.381252
  C       4.251708     11.933197     10.039260
  H       3.274709     12.396003     10.273763
  H       4.150770     10.865653     10.286822
  C       5.366556     12.587451     10.875625
  H       6.351351     12.231469     10.523766
  H       5.362183     13.681642     10.721214
  C       5.221318     12.272396     12.372673
  H       5.187260     11.167976     12.513795
  H       4.232279     12.611468     12.746555
  C       7.701467     13.394956     12.813312
  C       6.127884     12.616148     14.917766
  C       5.292022      8.689708      4.988156
  H       4.391157      8.373649      4.431204
  H       6.072297      8.881999      4.229010
  C       5.755147      7.574708      5.921040
  H       5.945643      6.701978      5.268162
  H       6.740081      7.847359      6.338362
  C       4.783327      7.194487      7.045484
  H       5.005506      6.146666      7.336863
  H       3.750306      7.142213      6.653699
  C       6.378623      8.482191      8.844536
  H       6.817378      9.113246      8.046067
  C       6.563991      9.210322     10.192724
  H       6.201309      8.555256     11.007773
  H       5.936499     10.111810     10.237781
  C       8.027533      9.583709     10.478778
  H       8.381638     10.300717      9.708756
  H       8.105448     10.105537     11.450764
  C       8.928477      8.341307     10.465125
  H       8.654826      7.691652     11.319374
  H       9.986402      8.625178     10.609481
  C       8.755037      7.552115      9.160316
  H       9.358020      6.626223      9.189851
  H       9.141599      8.153382      8.312788
  C       7.280770      7.203509      8.891700
  H       7.206499      6.625508      7.956021
  H       6.910414      6.538082      9.695755
  C       4.088914      7.341881      9.715897
  H       4.934034      7.064259     10.386035
  C       3.344377      6.006076      9.471176
  H       4.038749      5.280228      9.010615
  H       2.524167      6.136304      8.745600
  C       2.771927      5.404185     10.765335
  H       2.217894      4.474929     10.538951
  H       3.607828      5.117385     11.433887
  C       1.869719      6.403047     11.503697
  H       1.468954      5.954291     12.430284
  H       0.991711      6.645270     10.869478
  C       2.641877      7.690971     11.821906
  H       3.460440      7.452492     12.529291
  H       1.988050      8.422445     12.333764
  C       3.242078      8.318162     10.554746
  H       3.861337      9.185442     10.840091
  H       2.435979      8.720080      9.923026
  C       4.742243     11.159525      3.932376
  H       5.557253     10.679440      3.359324
  H       3.805365     10.792455      3.478046
  C       4.858776     12.676028      3.781554
  H       5.837507     13.005682      4.174275
  H       4.099547     13.174239      4.399816
  C       4.714753     13.143544      2.324437
  H       3.715469     12.871449      1.927956
  H       5.419870     12.566972      1.679512
  C       6.040845     15.503275      2.887222
  C       4.505430     15.274043      0.638495
  Co      3.213246     10.534339      7.105083
  P       4.405385     12.026350      8.196487
  P       4.842229     10.373296      5.633571
  H       1.792454      7.227874      7.018083
  H       2.271858      9.403826      3.784255
  H       1.983727     13.167507      4.845862
  H       1.490403     11.031246     10.142075
  H       1.343111     13.239606      8.713731
  C       1.436048     11.678897      7.209519
  C       1.676523     11.269936      5.856670
  C       1.701309      9.820025      5.838621
  C       1.443314      9.356356      7.171985
  C       1.712611      8.949360      4.617057
  C       1.570996     12.165563      4.659038
  C       1.077678     13.063453      7.660020
  C       1.309393     10.502829      8.034991
  C       0.797940     10.529495      9.448623
  C       1.124496      7.940370      7.523650
  H       0.613630      9.517151      9.834125
  H       1.184098      7.760240      8.603891
  H       2.062877     11.746105      3.770752
  H       2.142112      7.957947      4.828371
  H       1.536968     13.844006      7.036746
  H      -0.019674     13.180709      7.578861
  H      -0.160860     11.078842      9.478302
  H       0.501094     12.294907      4.408169
  H       0.675298      8.792478      4.266315
  H       0.091521      7.720193      7.194739
  H       6.699497     11.935619      5.659543
  H       4.059004      9.399742      7.925389
  H       3.094138     15.331721      3.739402
  H       2.101556     16.798417      3.695251
  H       1.825350     15.545652      4.953212
  H       4.243742     18.416427      3.840751
  H       5.386644     18.286487      5.232324
  H       3.745308     18.902065      5.467499
  H       3.601284     15.850146      0.939369
  H       4.169980     14.541371     -0.116429
  H       5.178636     16.011468      0.165356
  H       5.972696     15.297356      3.971042
  H       5.975398     16.592145      2.723370
  H       7.072803     15.210046      2.590884
  H       8.298058     12.550160     12.402840
  H       8.330444     13.888676     13.573477
  H       7.555343     14.086586     11.962136
  H       5.298073     11.949578     15.210995
  H       5.883597     13.629507     15.306904
  H       7.045795     12.317644     15.457986
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 9
  B       3.721812     16.751185      5.283404
  B       6.350477     12.774671     13.365493
  B       4.908002      7.957070      8.462819
  B       5.068071     14.651652      1.969743
  C       6.388427     11.137334      6.356216
  H       7.186372     10.375475      6.351120
  C       6.188104     11.702648      7.773690
  H       6.769381     12.627892      7.921002
  H       6.534794     10.975062      8.519122
  C       4.244339     13.877848      8.018354
  H       3.328785     14.168176      8.560428
  H       5.088196     14.274561      8.613196
  C       4.248232     14.497447      6.623519
  H       3.419708     14.061251      6.039643
  H       5.174590     14.213485      6.095243
  C       4.130371     16.034717      6.646811
  H       5.035493     16.472533      7.107822
  H       3.292123     16.307816      7.330872
  C       4.344248     18.144916      4.903357
  C       2.598609     16.093692      4.378690
  C       4.248690     11.929344     10.035317
  H       3.269923     12.387235     10.271976
  H       4.152212     10.860567     10.279507
  C       5.361077     12.585578     10.873314
  H       6.347233     12.233823     10.520897
  H       5.353045     13.680071     10.721279
  C       5.216653     12.267075     12.369740
  H       5.185431     11.162306     12.508813
  H       4.226619     12.602696     12.744147
  C       7.692556     13.397802     12.813384
  C       6.122113     12.607168     14.915748
  C       5.286458      8.685993      4.992893
  H       4.382685      8.363541      4.444434
  H       6.060795      8.875425      4.227039
  C       5.760580      7.577546      5.928532
  H       5.956554      6.704513      5.277819
  H       6.744411      7.858971      6.342860
  C       4.794230      7.191541      7.055944
  H       5.016532      6.141600      7.340980
  H       3.758706      7.142107      6.671047
  C       6.390881      8.478117      8.855807
  H       6.822833      9.111492      8.055596
  C       6.574951      9.207026     10.203624
  H       6.216898      8.550219     11.019333
  H       5.943280     10.105752     10.249228
  C       8.037272      9.587382     10.486353
  H       8.385837     10.306425      9.715783
  H       8.114767     10.109168     11.458343
  C       8.944352      8.349453     10.470183
  H       8.675579      7.697739     11.324410
  H      10.001077      8.638534     10.612824
  C       8.772942      7.560380      9.165010
  H       9.380852      6.637685      9.192646
  H       9.154529      8.164426      8.317258
  C       7.300182      7.203772      8.898667
  H       7.227025      6.627820      7.961527
  H       6.935116      6.534629      9.702060
  C       4.102049      7.331264      9.726674
  H       4.941855      7.049647     10.402062
  C       3.348711      6.001404      9.477224
  H       4.041273      5.269204      9.023899
  H       2.537052      6.138563      8.743336
  C       2.758268      5.406226     10.766266
  H       2.198047      4.481820     10.535439
  H       3.584824      5.112667     11.443416
  C       1.857965      6.414303     11.494395
  H       1.443870      5.970385     12.417424
  H       0.988547      6.663780     10.851217
  C       2.638789      7.695355     11.819087
  H       3.448164      7.449863     12.534560
  H       1.986845      8.433244     12.324045
  C       3.257120      8.316837     10.557795
  H       3.883210      9.176902     10.849661
  H       2.461721      8.727982      9.918305
  C       4.740556     11.155816      3.930089
  H       5.556552     10.676402      3.357836
  H       3.804185     10.788116      3.475085
  C       4.855382     12.672567      3.780059
  H       5.833822     13.003051      4.172816
  H       4.095678     13.169303      4.399056
  C       4.710418     13.140928      2.323301
  H       3.710929     12.868960      1.927276
  H       5.415193     12.564645      1.677697
  C       6.038954     15.499493      2.884794
  C       4.499869     15.272045      0.638321
  Co      3.208274     10.540797      7.098826
  P       4.401322     12.027210      8.192920
  P       4.837798     10.372328      5.632499
  H       1.793125      7.230944      7.007268
  H       2.268269      9.409156      3.779037
  H       1.972088     13.173459      4.843267
  H       1.485684     11.042296     10.135551
  H       1.338386     13.240619      8.712012
  C       1.429680     11.682003      7.205634
  C       1.668799     11.274482      5.852322
  C       1.696726      9.824630      5.833502
  C       1.442931      9.359192      7.167167
  C       1.707918      8.954914      4.611225
  C       1.563220     12.170229      4.654683
  C       1.071435     13.065939      7.658405
  C       1.307238     10.504776      8.030737
  C       0.799221     10.527688      9.445575
  C       1.129392      7.942212      7.520196
  H       0.631486      9.513832      9.834683
  H       1.200363      7.761267      8.599638
  H       2.059854     11.752853      3.767967
  H       2.135817      7.962680      4.822018
  H       1.530212     13.847342      7.035735
  H      -0.025967     13.183636      7.578922
  H      -0.167878     11.062322      9.476454
  H       0.493824     12.296068      4.399938
  H       0.670658      8.799659      4.259620
  H       0.093386      7.720434      7.202146
  H       6.696347     11.933130      5.658918
  H       4.052805      9.414495      7.914733
  H       3.092560     15.331507      3.738845
  H       2.103418     16.800484      3.690857
  H       1.822788     15.550449      4.950632
  H       4.246992     18.415734      3.837534
  H       5.390983     18.282077      5.227875
  H       3.752024     18.902755      5.465111
  H       3.596567     15.848701      0.940644
  H       4.162796     14.539749     -0.116251
  H       5.172908     16.009083      0.164338
  H       5.971633     15.293850      3.968716
  H       5.974780     16.588418      2.720840
  H       7.070190     15.204740      2.587465
  H       8.292338     12.556576     12.400246
  H       8.319756     13.891690     13.574907
  H       7.543562     14.091387     11.964300
  H       5.294503     11.937105     15.207239
  H       5.874715     13.618621     15.307846
  H       7.041077     12.310047     15.454957
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 10
  B       3.722342     16.751773      5.281329
  B       6.342587     12.771072     13.364357
  B       4.927531      7.939591      8.477832
  B       5.064430     14.649411      1.968379
  C       6.384493     11.135076      6.355056
  H       7.182616     10.373359      6.349017
  C       6.183750     11.699083      7.772892
  H       6.767929     12.622112      7.922606
  H       6.526489     10.969394      8.518190
  C       4.243163     13.878757      8.017408
  H       3.328018     14.169578      8.560050
  H       5.087753     14.274776      8.611658
  C       4.246291     14.498113      6.622369
  H       3.417193     14.061998      6.039214
  H       5.172156     14.213458      6.093546
  C       4.129355     16.035447      6.645244
  H       5.034521     16.472775      7.106662
  H       3.290919     16.309179      7.328809
  C       4.346573     18.144676      4.901086
  C       2.598861     16.094992      4.376458
  C       4.245290     11.924918     10.031414
  H       3.264628     12.377602     10.270120
  H       4.153557     10.854899     10.272123
  C       5.354928     12.583363     10.871240
  H       6.342554     12.235874     10.518585
  H       5.343164     13.678113     10.721383
  C       5.210961     12.261690     12.367064
  H       5.182741     11.156607     12.504304
  H       4.219776     12.593753     12.741640
  C       7.682277     13.401057     12.814186
  C       6.114643     12.598632     14.914153
  C       5.280574      8.682675      4.997326
  H       4.373923      8.353900      4.457481
  H       6.048913      8.869120      4.224781
  C       5.765651      7.580938      5.935735
  H       5.967157      6.707642      5.287201
  H       6.748290      7.871186      6.347025
  C       4.804795      7.189210      7.066131
  H       5.026766      6.136994      7.344379
  H       3.766763      7.143113      6.688209
  C       6.403504      8.473510      8.866977
  H       6.828924      9.108892      8.064949
  C       6.586507      9.203533     10.214219
  H       6.232729      8.545438     11.030763
  H       5.951071     10.099793     10.260068
  C       8.047724      9.590311     10.493594
  H       8.391040     10.311048      9.722336
  H       8.125021     10.112231     11.465473
  C       8.960403      8.356519     10.475186
  H       8.696205      7.703058     11.329504
  H      10.016010      8.650405     10.616125
  C       8.790790      7.567360      9.169817
  H       9.403293      6.647688      9.195775
  H       9.167610      8.173841      8.321724
  C       7.319453      7.203242      8.905831
  H       7.247167      6.629108      7.967399
  H       6.959477      6.530741      9.708716
  C       4.115263      7.320580      9.737323
  H       4.949631      7.035280     10.418091
  C       3.353423      5.996562      9.483337
  H       4.043831      5.258265      9.036516
  H       2.549725      6.140527      8.741966
  C       2.746376      5.407885     10.767524
  H       2.180382      4.488067     10.532616
  H       3.564152      5.108107     11.452534
  C       1.848112      6.424617     11.486112
  H       1.421961      5.985484     12.405919
  H       0.986654      6.680511     10.834812
  C       2.636783      7.699398     11.816454
  H       3.437567      7.447805     12.539400
  H       1.986636      8.443314     12.314786
  C       3.271815      8.315081     10.560564
  H       3.903726      9.168754     10.858247
  H       2.486338      8.734080      9.913683
  C       4.738791     11.152484      3.927313
  H       5.555784     10.673646      3.355958
  H       3.802938     10.784193      3.471594
  C       4.851989     12.669474      3.778060
  H       5.830082     13.000743      4.171023
  H       4.091711     13.164741      4.397650
  C       4.706460     13.138738      2.321649
  H       3.706860     12.866957      1.925794
  H       5.411038     12.562762      1.675519
  C       6.037078     15.496180      2.882577
  C       4.495042     15.270719      0.637866
  Co      3.203002     10.547506      7.092133
  P       4.397152     12.027766      8.189446
  P       4.833132     10.371797      5.630982
  H       1.793270      7.234390      6.994670
  H       2.264140      9.415813      3.773033
  H       1.960186     13.180314      4.840971
  H       1.480626     11.053268     10.128639
  H       1.333883     13.241483      8.710684
  C       1.423173     11.685386      7.201704
  C       1.660785     11.279675      5.847777
  C       1.691759      9.829884      5.827766
  C       1.442267      9.362325      7.161612
  C       1.702699      8.961543      4.604473
  C       1.555177     12.175865      4.650383
  C       1.065255     13.068590      7.657177
  C       1.304980     10.506778      8.026108
  C       0.800661     10.525476      9.442213
  C       1.134337      7.944256      7.515791
  H       0.650369      9.510210      9.834793
  H       1.217704      7.762169      8.594187
  H       2.056514     11.760803      3.765134
  H       2.128919      7.968378      4.814337
  H       1.523509     13.850971      7.035265
  H      -0.032193     13.186829      7.579557
  H      -0.174892     11.044538      9.474568
  H       0.486307     12.298290      4.391823
  H       0.665456      8.808147      4.252021
  H       0.095130      7.720962      7.209532
  H       6.692461     11.931637      5.658652
  H       4.045988      9.429058      7.903698
  H       3.091508     15.329175      3.739972
  H       2.106712     16.801054      3.685717
  H       1.820667     15.555776      4.948999
  H       4.250163     18.415280      3.835131
  H       5.393326     18.280658      5.226070
  H       3.755034     18.903400      5.462364
  H       3.592534     15.847912      0.941504
  H       4.156520     14.538918     -0.116541
  H       5.168044     16.007425      0.163311
  H       5.970251     15.290623      3.966547
  H       5.974066     16.585173      2.718667
  H       7.067742     15.200126      2.584571
  H       8.285442     12.563477     12.398593
  H       8.307466     13.895263     13.577155
  H       7.530494     14.096487     11.967108
  H       5.289346     11.924913     15.203778
  H       5.863790     13.608141     15.309034
  H       7.034606     12.303197     15.452604
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 11
  B       3.724296     16.753853      5.280156
  B       6.333245     12.765841     13.363667
  B       4.946986      7.922399      8.493126
  B       5.059960     14.647611      1.966702
  C       6.380479     11.133682      6.354213
  H       7.179138     10.372486      6.346994
  C       6.178869     11.695656      7.772603
  H       6.766103     12.616230      7.925461
  H       6.517135     10.963369      8.517493
  C       4.241429     13.879881      8.016571
  H       3.326591     14.171182      8.559635
  H       5.086624     14.275089      8.610482
  C       4.244287     14.499271      6.621410
  H       3.414590     14.063709      6.038659
  H       5.169679     14.213687      6.092207
  C       4.128943     16.036743      6.644372
  H       5.034217     16.472944      7.106678
  H       3.290270     16.311196      7.327333
  C       4.351781     18.145426      4.900299
  C       2.600629     16.098907      4.374200
  C       4.240884     11.920197     10.027398
  H       3.258244     12.367419     10.268120
  H       4.154046     10.848862     10.264239
  C       5.347596     12.580611     10.869445
  H       6.336735     12.237493     10.516629
  H       5.332104     13.675646     10.722098
  C       5.203822     12.255286     12.364528
  H       5.178357     11.149865     12.499568
  H       4.211524     12.583888     12.739254
  C       7.670800     13.402368     12.815806
  C       6.105449     12.588141     14.912912
  C       5.275375      8.679857      5.002022
  H       4.366072      8.344560      4.470749
  H       6.037805      8.863215      4.222967
  C       5.771357      7.585185      5.943481
  H       5.979076      6.711740      5.297246
  H       6.752428      7.884666      6.352130
  C       4.815684      7.187434      7.076476
  H       5.037107      6.132858      7.347521
  H       3.775290      7.144873      6.705233
  C       6.416078      8.469013      8.878799
  H       6.834899      9.106729      8.075201
  C       6.597862      9.199711     10.225711
  H       6.248584      8.539991     11.042895
  H       5.958427     10.093277     10.272171
  C       8.057833      9.593286     10.501722
  H       8.395547     10.316027      9.729941
  H       8.134867     10.115088     11.473645
  C       8.976476      8.363932     10.480586
  H       8.717160      7.708391     11.334807
  H      10.030861      8.662913     10.619807
  C       8.808757      7.575068      9.174762
  H       9.426087      6.658599      9.198678
  H       9.180586      8.184348      8.326524
  C       7.338954      7.203142      8.913082
  H       7.267604      6.631199      7.973117
  H       6.984349      6.526880      9.715193
  C       4.128663      7.309352      9.748220
  H       4.957416      7.020553     10.434514
  C       3.358641      5.991131      9.489495
  H       4.046709      5.247025      9.048599
  H       2.562587      6.141918      8.741162
  C       2.735849      5.408589     10.768823
  H       2.164461      4.493187     10.529868
  H       3.545159      5.102925     11.461217
  C       1.839589      6.433416     11.478400
  H       1.402200      5.998883     12.395096
  H       0.985721      6.695158     10.819502
  C       2.635378      7.702365     11.814091
  H       3.427893      7.445315     12.544157
  H       1.986849      8.451926     12.305980
  C       3.286229      8.312345     10.563455
  H       3.923072      9.160305     10.866598
  H       2.510209      8.738142      9.909345
  C       4.737664     11.149692      3.924367
  H       5.556302     10.672091      3.354294
  H       3.802851     10.780106      3.467445
  C       4.848063     12.667025      3.775999
  H       5.825521     12.999847      4.169238
  H       4.086748     13.160187      4.396176
  C       4.701623     13.137071      2.319936
  H       3.701777     12.865519      1.924564
  H       5.405760     12.561256      1.673146
  C       6.035661     15.492942      2.878999
  C       4.488026     15.270108      0.637820
  Co      3.197539     10.554401      7.084866
  P       4.392399     12.028533      8.185938
  P       4.828788     10.371818      5.629295
  H       1.794069      7.237891      6.980375
  H       2.260887      9.423064      3.766002
  H       1.948774     13.187320      4.838109
  H       1.474196     11.063989     10.120649
  H       1.328570     13.241947      8.708720
  C       1.416329     11.688604      7.196934
  C       1.652867     11.284944      5.842365
  C       1.687031      9.835230      5.820917
  C       1.441604      9.365312      7.154793
  C       1.698131      8.968545      4.596416
  C       1.547569     12.181738      4.645313
  C       1.058523     13.070976      7.655230
  C       1.302364     10.508480      8.020402
  C       0.801507     10.522622      9.437657
  C       1.139792      7.945991      7.509837
  H       0.669408      9.506123      9.833616
  H       1.235676      7.762596      8.587004
  H       2.053744     11.769055      3.761601
  H       2.122643      7.974411      4.805202
  H       1.516348     13.854449      7.034303
  H      -0.038958     13.189690      7.579233
  H      -0.182641     11.025218      9.471360
  H       0.479315     12.300897      4.382736
  H       0.661015      8.817065      4.242783
  H       0.097593      7.720833      7.215404
  H       6.688189     11.931467      5.659105
  H       4.038895      9.443568      7.892695
  H       3.091860     15.329672      3.740776
  H       2.112213     16.804936      3.680800
  H       1.819523     15.563759      4.946600
  H       4.256778     18.416209      3.834264
  H       5.398572     18.279186      5.226103
  H       3.761434     18.905406      5.461131
  H       3.586737     15.847923      0.943879
  H       4.147081     14.538956     -0.116130
  H       5.160563     16.006440      0.162025
  H       5.970823     15.287137      3.963040
  H       5.973662     16.582054      2.715550
  H       7.065316     15.195631      2.578774
  H       8.277116     12.568332     12.397681
  H       8.294021     13.896504     13.580428
  H       7.516582     14.099861     11.970866
  H       5.282229     11.910957     15.200364
  H       5.851392     13.595665     15.310786
  H       7.026233     12.293981     15.450674
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 12
  B       3.724419     16.754597      5.277255
  B       6.324857     12.760393     13.362672
  B       4.965536      7.905806      8.509034
  B       5.057331     14.647339      1.965500
  C       6.376283     11.133536      6.352798
  H       7.175828     10.373240      6.343739
  C       6.173934     11.692561      7.772073
  H       6.764394     12.610431      7.928723
  H       6.507531     10.957085      8.516005
  C       4.239834     13.881363      8.015645
  H       3.325678     14.173418      8.559598
  H       5.086101     14.275867      8.608483
  C       4.241444     14.499929      6.620000
  H       3.410488     14.064720      6.038736
  H       5.165755     14.212666      6.089761
  C       4.128359     16.037521      6.641661
  H       5.034345     16.472833      7.103435
  H       3.290273     16.313941      7.324590
  C       4.351750     18.146410      4.897915
  C       2.600645     16.099748      4.371294
  C       4.236847     11.915392     10.023358
  H       3.252238     12.356915     10.266386
  H       4.155207     10.842681     10.256142
  C       5.340687     12.577833     10.867513
  H       6.331311     12.239404     10.514216
  H       5.321174     13.673164     10.722924
  C       5.197593     12.248498     12.361817
  H       5.175292     11.142710     12.494422
  H       4.204167     12.573208     12.736988
  C       7.659807     13.404218     12.816943
  C       6.097895     12.576519     14.911340
  C       5.270170      8.677893      5.006810
  H       4.358578      8.336296      4.483574
  H       6.027278      8.857809      4.221832
  C       5.776057      7.590384      5.951828
  H       5.990023      6.716659      5.308142
  H       6.755390      7.898811      6.358254
  C       4.824915      7.187211      7.087096
  H       5.044244      6.129834      7.350200
  H       3.782171      7.149852      6.722434
  C       6.428222      8.464021      8.891332
  H       6.840683      9.104009      8.086273
  C       6.608916      9.195468     10.237891
  H       6.263592      8.534438     11.055699
  H       5.965937     10.086717     10.284736
  C       8.067771      9.595048     10.510875
  H       8.400446     10.319602      9.738702
  H       8.144633     10.116639     11.482881
  C       8.991717      8.369681     10.487149
  H       8.736734      7.712162     11.341152
  H      10.044972      8.673200     10.624954
  C       8.825818      7.581287      9.180778
  H       9.447563      6.667782      9.202733
  H       9.193088      8.193238      8.332528
  C       7.357470      7.202251      8.921073
  H       7.286951      6.632616      7.979522
  H       7.007820      6.522304      9.722242
  C       4.141919      7.297316      9.759695
  H       4.965181      7.004988     10.451209
  C       3.364096      5.984880      9.495711
  H       4.049654      5.235528      9.059685
  H       2.575152      6.142703      8.741190
  C       2.726793      5.407510     10.770127
  H       2.150376      4.496415     10.526935
  H       3.528164      5.096026     11.469096
  C       1.832617      6.439538     11.471920
  H       1.385046      6.008982     12.385560
  H       0.985759      6.706845     10.806284
  C       2.634882      7.702976     11.812994
  H       3.419674      7.440761     12.549499
  H       1.987918      8.457580     12.299144
  C       3.300323      8.307966     10.567544
  H       3.941421      9.150699     10.876011
  H       2.533130      8.739951      9.906793
  C       4.736780     11.147687      3.920819
  H       5.556406     10.670320      3.351926
  H       3.802452     10.777788      3.463026
  C       4.846149     12.665222      3.773289
  H       5.823405     12.998386      4.166736
  H       4.084516     13.157161      4.394171
  C       4.699273     13.136514      2.317672
  H       3.699490     12.864899      1.922203
  H       5.403597     12.561502      1.670348
  C       6.033879     15.491647      2.877914
  C       4.484766     15.271106      0.637477
  Co      3.191981     10.562237      7.077132
  P       4.387676     12.029697      8.182398
  P       4.824375     10.372865      5.627089
  H       1.794373      7.242378      6.964938
  H       2.257416      9.431315      3.758523
  H       1.937061     13.195238      4.834769
  H       1.466857     11.076927     10.111896
  H       1.323351     13.243508      8.706182
  C       1.409493     11.692792      7.191722
  C       1.644856     11.291104      5.836522
  C       1.682203      9.841467      5.813657
  C       1.440942      9.369243      7.147573
  C       1.693379      8.976501      4.587903
  C       1.539654     12.188528      4.639849
  C       1.051936     13.074394      7.652716
  C       1.299825     10.511177      8.014277
  C       0.802515     10.520744      9.432676
  C       1.145595      7.948669      7.503647
  H       0.690194      9.503368      9.832496
  H       1.255349      7.763825      8.579281
  H       2.050466     11.778237      3.757599
  H       2.116184      7.981383      4.795490
  H       1.509485     13.858846      7.032733
  H      -0.045558     13.193698      7.578244
  H      -0.190679     11.005260      9.467565
  H       0.471985     12.304415      4.373474
  H       0.656372      8.826991      4.233145
  H       0.100164      7.721767      7.222362
  H       6.683122     11.933106      5.659346
  H       4.031648      9.458619      7.881344
  H       3.089675     15.324748      3.743299
  H       2.116162     16.804034      3.673421
  H       1.816404     15.570826      4.945286
  H       4.259601     18.415686      3.831228
  H       5.397383     18.281851      5.226670
  H       3.758593     18.906454      5.455692
  H       3.584337     15.849653      0.944640
  H       4.142579     14.540765     -0.116691
  H       5.157654     16.007117      0.161657
  H       5.968248     15.285855      3.961924
  H       5.973108     16.580836      2.714526
  H       7.063355     15.193149      2.578306
  H       8.269242     12.574347     12.395105
  H       8.281383     13.897814     13.583247
  H       7.502357     14.104473     11.974880
  H       5.276980     11.895613     15.196583
  H       5.840803     13.581757     15.312990
  H       7.019798     12.283359     15.447760
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 13
  B       3.725128     16.756398      5.276216
  B       6.315737     12.755295     13.361967
  B       4.984850      7.889097      8.524355
  B       5.054297     14.646384      1.963605
  C       6.371503     11.133367      6.351482
  H       7.172300     10.374367      6.340015
  C       6.168448     11.688554      7.771972
  H       6.763063     12.602914      7.933385
  H       6.496179     10.948878      8.514450
  C       4.238276     13.883052      8.015205
  H       3.324634     14.175579      8.559921
  H       5.085390     14.276585      8.607456
  C       4.238934     14.501850      6.619515
  H       3.407614     14.066639      6.038739
  H       5.162925     14.214531      6.088674
  C       4.125901     16.039507      6.641649
  H       5.031273     16.474404      7.105052
  H       3.286756     16.315405      7.323406
  C       4.356343     18.146303      4.896290
  C       2.601218     16.103145      4.369368
  C       4.232444     11.910732     10.019494
  H       3.245875     12.346436     10.264910
  H       4.156120     10.836670     10.248111
  C       5.333372     12.575180     10.865797
  H       6.325474     12.241218     10.512285
  H       5.309996     13.670762     10.723760
  C       5.190646     12.242139     12.359348
  H       5.171414     11.136024     12.489712
  H       4.196076     12.563122     12.734722
  C       7.648560     13.405489     12.818582
  C       6.088875     12.566465     14.910074
  C       5.264534      8.675853      5.011438
  H       4.350423      8.327559      4.497103
  H       6.015569      8.852474      4.219944
  C       5.781499      7.595932      5.959704
  H       6.002369      6.722263      5.318408
  H       6.758829      7.914106      6.363699
  C       4.835470      7.186459      7.097377
  H       5.053466      6.126511      7.352433
  H       3.790424      7.153412      6.739391
  C       6.441196      8.458694      8.903645
  H       6.847506      9.100920      8.097223
  C       6.620567      9.190948     10.249814
  H       6.279280      8.528634     11.068284
  H       5.973890     10.079730     10.296954
  C       8.078175      9.596858     10.519767
  H       8.405660     10.323170      9.747119
  H       8.154739     10.118357     11.491808
  C       9.007610      8.375646     10.493588
  H       8.757046      7.716201     11.347413
  H      10.059664      8.683879     10.629992
  C       8.843705      7.587602      9.186717
  H       9.469993      6.677185      9.206784
  H       9.206366      8.202216      8.338458
  C       7.376916      7.201206      8.928937
  H       7.307322      6.633881      7.985797
  H       7.032366      6.517570      9.729166
  C       4.155744      7.285095      9.770626
  H       4.972907      6.990074     10.468267
  C       3.370693      5.978121      9.501774
  H       4.053976      5.223421      9.071294
  H       2.589123      6.142306      8.740789
  C       2.718647      5.406672     10.771300
  H       2.137803      4.499452     10.524276
  H       3.511832      5.090358     11.477371
  C       1.825835      6.445978     11.464092
  H       1.368010      6.019992     12.374777
  H       0.986199      6.717736     10.791189
  C       2.633592      7.704655     11.809820
  H       3.410340      7.438549     12.553384
  H       1.987549      8.464364     12.289153
  C       3.313862      8.303658     10.569425
  H       3.958189      9.142074     10.882650
  H       2.555640      8.740241      9.901061
  C       4.735125     11.145778      3.917456
  H       5.556264     10.669460      3.349812
  H       3.801747     10.774881      3.458423
  C       4.842208     12.663645      3.770925
  H       5.818739     12.998025      4.165125
  H       4.079429     13.153755      4.392018
  C       4.695484     13.135749      2.315566
  H       3.695861     12.864203      1.919685
  H       5.400050     12.561033      1.668186
  C       6.032257     15.489829      2.875258
  C       4.481235     15.270632      0.635985
  Co      3.185814     10.569772      7.069624
  P       4.382647     12.031053      8.179036
  P       4.819499     10.373749      5.624871
  H       1.796122      7.246760      6.949371
  H       2.252936      9.440681      3.750815
  H       1.924790     13.203609      4.832978
  H       1.460063     11.086688     10.103951
  H       1.318333     13.243825      8.705375
  C       1.402047     11.696345      7.187568
  C       1.636236     11.297351      5.831480
  C       1.676604      9.847833      5.806439
  C       1.439528      9.372609      7.140156
  C       1.687788      8.985157      4.579038
  C       1.531134     12.195886      4.635557
  C       1.045097     13.077025      7.651980
  C       1.296537     10.512848      8.008570
  C       0.803297     10.517380      9.428273
  C       1.151128      7.950415      7.496156
  H       0.709551      9.499267      9.831038
  H       1.272780      7.763856      8.570273
  H       2.046560     11.788323      3.754629
  H       2.108987      7.988990      4.784902
  H       1.502271     13.862609      7.033072
  H      -0.052411     13.197154      7.579512
  H      -0.197949     10.984980      9.465180
  H       0.464077     12.308655      4.365439
  H       0.650846      8.837683      4.223257
  H       0.103417      7.720823      7.225851
  H       6.676962     11.935255      5.660100
  H       4.023925      9.473190      7.870640
  H       3.090096     15.327437      3.742095
  H       2.118858     16.808063      3.670647
  H       1.815431     15.575454      4.942309
  H       4.263716     18.416474      3.829889
  H       5.402860     18.278078      5.223804
  H       3.766661     18.907957      5.455562
  H       3.579986     15.847635      0.943660
  H       4.139733     14.540295     -0.118523
  H       5.153115     16.007709      0.160445
  H       5.968667     15.283413      3.959254
  H       5.971406     16.579119      2.712581
  H       7.061095     15.191406      2.573324
  H       8.261441     12.578894     12.395304
  H       8.267755     13.899638     13.586460
  H       7.489045     14.107064     11.978019
  H       5.270393     11.881742     15.193180
  H       5.827807     13.569668     15.314242
  H       7.011634     12.275377     15.446150
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 14
  B       3.725576     16.758109      5.274714
  B       6.306198     12.747752     13.361700
  B       5.003962      7.873179      8.540139
  B       5.050176     14.646699      1.961584
  C       6.366982     11.134544      6.349953
  H       7.169384     10.377238      6.335452
  C       6.163077     11.684824      7.772011
  H       6.761569     12.595678      7.938845
  H       6.485076     10.940562      8.512510
  C       4.236858     13.884628      8.014781
  H       3.323811     14.177954      8.560231
  H       5.084962     14.277188      8.606243
  C       4.236730     14.502913      6.618724
  H       3.404351     14.068182      6.039055
  H       5.159804     14.214036      6.087085
  C       4.125998     16.040687      6.639947
  H       5.032172     16.474547      7.102773
  H       3.287586     16.318404      7.321915
  C       4.357218     18.148070      4.895576
  C       2.601306     16.105485      4.367814
  C       4.227823     11.905395     10.015506
  H       3.239299     12.335204     10.263242
  H       4.156817     10.829956     10.239641
  C       5.325764     12.571505     10.864318
  H       6.319360     12.242249     10.510470
  H       5.298482     13.667386     10.725362
  C       5.183345     12.233979     12.356929
  H       5.166863     11.127493     12.484453
  H       4.187710     12.551282     12.732658
  C       7.636500     13.405373     12.821057
  C       6.079894     12.552094     14.909064
  C       5.259819      8.674753      5.016291
  H       4.343691      8.319894      4.510130
  H       6.005457      8.847917      4.218985
  C       5.786943      7.602549      5.968264
  H       6.014911      6.728874      5.329597
  H       6.762023      7.930312      6.370286
  C       4.845430      7.187119      7.107961
  H       5.061007      6.124320      7.354357
  H       3.798133      7.159529      6.756591
  C       6.454340      8.453156      8.916703
  H       6.854772      9.097627      8.109093
  C       6.632483      9.186116     10.262546
  H       6.294858      8.522667     11.081621
  H       5.982455     10.072676     10.309920
  C       8.088947      9.597796     10.529630
  H       8.411503     10.325781      9.756573
  H       8.165382     10.119107     11.501747
  C       9.023431      8.380442     10.500947
  H       8.777015      7.719121     11.354528
  H      10.074352      8.693029     10.636059
  C       8.861350      7.592872      9.193519
  H       9.491843      6.685345      9.211733
  H       9.219677      8.210021      8.345308
  C       7.396022      7.199701      8.937536
  H       7.327164      6.634691      7.992816
  H       7.056244      6.512515      9.736758
  C       4.169721      7.272747      9.782009
  H       4.980779      6.974805     10.485536
  C       3.377584      5.971307      9.507808
  H       4.058524      5.211556      9.082395
  H       2.603257      6.141954      8.740670
  C       2.711224      5.405256     10.772225
  H       2.126161      4.501897     10.521110
  H       3.496322      5.084081     11.485076
  C       1.819826      6.451408     11.456548
  H       1.352005      6.029650     12.364104
  H       0.987367      6.727707     10.776660
  C       2.632902      7.705258     11.807361
  H       3.401679      7.435094     12.557676
  H       1.987880      8.469798     12.280299
  C       3.327728      8.298779     10.572315
  H       3.975198      9.132751     10.890688
  H       2.578414      8.740259      9.896786
  C       4.734429     11.144443      3.913421
  H       5.556908     10.668671      3.347212
  H       3.801837     10.772780      3.453302
  C       4.839794     12.662565      3.767627
  H       5.816083     12.997742      4.161745
  H       4.076636     13.151156      4.389603
  C       4.692013     13.135747      2.312732
  H       3.692282     12.864086      1.917210
  H       5.396466     12.561787      1.664547
  C       6.029513     15.489162      2.872755
  C       4.475425     15.272217      0.635296
  Co      3.179945     10.578213      7.061375
  P       4.377641     12.032305      8.175668
  P       4.815138     10.375679      5.622235
  H       1.796119      7.251908      6.933173
  H       2.249555      9.449140      3.742855
  H       1.913782     13.211388      4.828454
  H       1.450361     11.102712     10.093728
  H       1.312532     13.246316      8.701517
  C       1.395022     11.701032      7.181474
  C       1.628229     11.303728      5.824841
  C       1.671730      9.854289      5.798610
  C       1.438613      9.377051      7.132389
  C       1.683423      8.993117      4.570125
  C       1.523411     12.202730      4.629184
  C       1.038319     13.081091      7.648103
  C       1.293717     10.516217      8.001729
  C       0.804067     10.516449      9.422500
  C       1.157190      7.953613      7.489631
  H       0.732832      9.498434      9.830110
  H       1.293594      7.765658      8.561777
  H       2.043022     11.797182      3.749690
  H       2.103555      7.996266      4.774922
  H       1.495574     13.867414      7.030118
  H      -0.059153     13.201921      7.576685
  H      -0.206758     10.963045      9.460181
  H       0.456969     12.312713      4.355532
  H       0.646671      8.846922      4.213301
  H       0.106397      7.722065      7.233374
  H       6.670509     11.939377      5.661137
  H       4.016239      9.488192      7.859452
  H       3.087906     15.324655      3.745218
  H       2.122564     16.809096      3.665344
  H       1.812672     15.583466      4.942121
  H       4.266460     18.417716      3.828870
  H       5.403099     18.280270      5.224918
  H       3.766194     18.909850      5.453251
  H       3.575598     15.850434      0.944805
  H       4.131723     14.542740     -0.119034
  H       5.147539     16.008647      0.159041
  H       5.965517     15.282696      3.956739
  H       5.969840     16.578533      2.710231
  H       7.058047     15.189483      2.571105
  H       8.252525     12.583077     12.394005
  H       8.253881     13.898655     13.590947
  H       7.474007     14.109949     11.983573
  H       5.263517     11.863762     15.189481
  H       5.816056     13.552834     15.317477
  H       7.003611     12.261473     15.443777
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 15
  B       3.726482     16.760777      5.274839
  B       6.296104     12.739888     13.361632
  B       5.023420      7.857555      8.555695
  B       5.045225     14.647309      1.959287
  C       6.361948     11.136525      6.348266
  H       7.166695     10.381739      6.329802
  C       6.157196     11.680544      7.772351
  H       6.760429     12.587028      7.945819
  H       6.472312     10.930528      8.510108
  C       4.235486     13.886585      8.014881
  H       3.322816     14.180456      8.560843
  H       5.084309     14.277899      8.606110
  C       4.234978     14.505289      6.618838
  H       3.402383     14.070673      6.039334
  H       5.157857     14.216283      6.086856
  C       4.124492     16.043115      6.640647
  H       5.030243     16.476484      7.104787
  H       3.285323     16.320395      7.321798
  C       4.361138     18.149362      4.895658
  C       2.602045     16.109696      4.367105
  C       4.222826     11.900052     10.011593
  H       3.232272     12.323589     10.261800
  H       4.157461     10.823205     10.230962
  C       5.317576     12.567920     10.863067
  H       6.312741     12.243613     10.508944
  H       5.286149     13.664090     10.727355
  C       5.175461     12.225663     12.354667
  H       5.162032     11.118790     12.479159
  H       4.178690     12.538977     12.730756
  C       7.624224     13.404280     12.823907
  C       6.069836     12.538192     14.908247
  C       5.255246      8.674030      5.020930
  H       4.337235      8.312469      4.523016
  H       5.995456      8.843794      4.217883
  C       5.792588      7.609793      5.976696
  H       6.027970      6.736207      5.340734
  H       6.765202      7.947359      6.376838
  C       4.855511      7.188338      7.118317
  H       5.068006      6.122546      7.355499
  H       3.805992      7.166857      6.773601
  C       6.468230      8.447018      8.929688
  H       6.863137      9.093571      8.120948
  C       6.645426      9.180696     10.275152
  H       6.311233      8.516323     11.094893
  H       5.992386     10.065279     10.322725
  C       8.100893      9.597617     10.539234
  H       8.418678     10.327068      9.765674
  H       8.177489     10.118796     11.511378
  C       9.039948      8.383793     10.508053
  H       8.797498      7.720763     11.361446
  H      10.089846      8.700345     10.641790
  C       8.879334      7.596672      9.200126
  H       9.513693      6.691827      9.216524
  H       9.233523      8.216153      8.351924
  C       7.415335      7.197285      8.946040
  H       7.346886      6.634596      7.999763
  H       7.080150      6.506729      9.744282
  C       4.184248      7.260279      9.793302
  H       4.988912      6.959678     10.502985
  C       3.385213      5.964338      9.513862
  H       4.063743      5.199541      9.093531
  H       2.618089      6.141238      8.740712
  C       2.704770      5.403917     10.773188
  H       2.115719      4.504277     10.518155
  H       3.481796      5.078274     11.492795
  C       1.814681      6.456854     11.448811
  H       1.337064      6.039510     12.353290
  H       0.989387      6.737234     10.761941
  C       2.632651      7.706192     11.804347
  H       3.393438      7.432544     12.561474
  H       1.988494      8.475535     12.270589
  C       3.341819      8.293816     10.574552
  H       3.991945      9.123809     10.897707
  H       2.601322      8.739367      9.891607
  C       4.733361     11.143573      3.909300
  H       5.557644     10.669061      3.344598
  H       3.801959     10.770567      3.447756
  C       4.835938     12.662075      3.764519
  H       5.811607     12.998721      4.158894
  H       4.071855     13.148560      4.387206
  C       4.687331     13.136247      2.310043
  H       3.687701     12.864215      1.914565
  H       5.392015     12.563112      1.661329
  C       6.026052     15.489140      2.869421
  C       4.468841     15.273434      0.633968
  Co      3.173618     10.586597      7.053014
  P       4.372340     12.033919      8.172396
  P       4.810602     10.377866      5.619327
  H       1.797248      7.257046      6.917924
  H       2.245946      9.457320      3.734809
  H       1.901884     13.218777      4.823426
  H       1.439348     11.119763     10.082790
  H       1.306587     13.248743      8.697283
  C       1.387426     11.705455      7.175175
  C       1.619767     11.309815      5.818012
  C       1.666461      9.860473      5.790646
  C       1.437162      9.381250      7.124472
  C       1.678958      9.000702      4.561158
  C       1.514983     12.209084      4.622490
  C       1.031304     13.085022      7.643891
  C       1.290245     10.519368      7.994695
  C       0.804519     10.515541      9.416601
  C       1.163104      7.956467      7.482785
  H       0.757254      9.498305      9.829622
  H       1.312752      7.767507      8.553052
  H       2.038794     11.805536      3.744476
  H       2.098365      8.003333      4.765021
  H       1.488884     13.871855      7.026717
  H      -0.066092     13.206897      7.573537
  H      -0.215988     10.939615      9.455145
  H       0.449127     12.316015      4.345384
  H       0.642450      8.855390      4.203297
  H       0.109973      7.722119      7.239056
  H       6.662499     11.945176      5.662616
  H       4.008072      9.503198      7.848813
  H       3.088448     15.328384      3.744941
  H       2.124989     16.813964      3.664140
  H       1.812198     15.588582      4.940516
  H       4.269807     18.420145      3.829304
  H       5.407775     18.278510      5.223876
  H       3.772995     18.912192      5.454948
  H       3.568479     15.850122      0.944780
  H       4.125269     14.544097     -0.120575
  H       5.139591     16.011024      0.157626
  H       5.964263     15.281939      3.953379
  H       5.965989     16.578615      2.707740
  H       7.053986     15.189786      2.565374
  H       8.243626     12.585677     12.394647
  H       8.239271     13.897390     13.595777
  H       7.459601     14.110908     11.988579
  H       5.255808     11.845988     15.185967
  H       5.802201     13.536585     15.319916
  H       6.994340     12.249093     15.442424
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 16
  B       3.724688     16.761931      5.273862
  B       6.286158     12.728449     13.362665
  B       5.042187      7.842459      8.571524
  B       5.039830     14.649732      1.957677
  C       6.357818     11.139500      6.347046
  H       7.164942     10.387328      6.324030
  C       6.152050     11.676108      7.773508
  H       6.759988     12.577982      7.954448
  H       6.460062     10.919786      8.507940
  C       4.235070     13.888392      8.015220
  H       3.322854     14.183244      8.561614
  H       5.084743     14.278756      8.605842
  C       4.234142     14.506167      6.618583
  H       3.401268     14.071046      6.039803
  H       5.156673     14.216204      6.086472
  C       4.124606     16.043982      6.638899
  H       5.031014     16.477404      7.101706
  H       3.286426     16.322698      7.320784
  C       4.354917     18.153007      4.896358
  C       2.601141     16.109060      4.366128
  C       4.218111     11.893893     10.008019
  H       3.225608     12.311167     10.260694
  H       4.158075     10.815595     10.222076
  C       5.309760     12.562744     10.862626
  H       6.306429     12.243330     10.508169
  H       5.274506     13.659265     10.730734
  C       5.167681     12.214932     12.352987
  H       5.156646     11.107627     12.473779
  H       4.169914     12.524561     12.729526
  C       7.611776     13.400569     12.828343
  C       6.060651     12.518003     14.908253
  C       5.251267      8.674355      5.026150
  H       4.331589      8.306556      4.536006
  H       5.986572      8.840260      4.217831
  C       5.797813      7.617852      5.985828
  H       6.040638      6.744477      5.352510
  H       6.767792      7.964787      6.384583
  C       4.864624      7.190436      7.128936
  H       5.073116      6.121459      7.356288
  H       3.812947      7.176050      6.790818
  C       6.481892      8.440453      8.943064
  H       6.871400      9.089180      8.133362
  C       6.658463      9.174581     10.288244
  H       6.327616      8.509294     11.108608
  H       6.002669     10.057348     10.336173
  C       8.113028      9.596356     10.549232
  H       8.426093     10.327372      9.775311
  H       8.190039     10.117138     11.521526
  C       9.056381      8.385876     10.515123
  H       8.817916      7.721035     11.368232
  H      10.105324      8.706159     10.647376
  C       8.896822      7.599488      9.206575
  H       9.534861      6.697216      9.220855
  H       9.246829      8.221375      8.358442
  C       7.434027      7.194278      8.954610
  H       7.365622      6.633986      8.006761
  H       7.103457      6.500377      9.751864
  C       4.198593      7.247505      9.804991
  H       4.997197      6.943734     10.520114
  C       3.392461      5.957316      9.520030
  H       4.068108      5.187785      9.103582
  H       2.631872      6.140984      8.741794
  C       2.699142      5.401702     10.774366
  H       2.105963      4.505970     10.515251
  H       3.468646      5.071144     11.499765
  C       1.811016      6.460916     11.442771
  H       1.324495      6.047443     12.344268
  H       0.992351      6.745751     10.749883
  C       2.634072      7.705529     11.803149
  H       3.387525      7.428016     12.566143
  H       1.991251      8.479326     12.263792
  C       3.356436      8.287997     10.578485
  H       4.009244      9.113934     10.906424
  H       2.624148      8.737967      9.889100
  C       4.734872     11.143436      3.904717
  H       5.561899     10.670335      3.342794
  H       3.805404     10.768382      3.440818
  C       4.834136     12.662311      3.760739
  H       5.809077     13.000716      4.155390
  H       4.069020     13.146404      4.384184
  C       4.684436     13.137722      2.306788
  H       3.685209     12.864372      1.911226
  H       5.390064     12.566450      1.657456
  C       6.021580     15.491117      2.867324
  C       4.460411     15.277509      0.634473
  Co      3.167835     10.596659      7.043945
  P       4.367730     12.035476      8.169648
  P       4.807022     10.381436      5.616346
  H       1.795915      7.264475      6.907039
  H       2.245089      9.461446      3.727951
  H       1.893428     13.224213      4.811770
  H       1.417769     11.158429     10.065232
  H       1.299840     13.257965      8.685121
  C       1.380899     11.713133      7.164523
  C       1.612967     11.316014      5.807938
  C       1.662359      9.866632      5.782519
  C       1.435809      9.388487      7.117274
  C       1.676381      9.005877      4.553709
  C       1.509273     12.213443      4.610898
  C       1.025123     13.093369      7.631721
  C       1.287293     10.527565      7.985858
  C       0.804413     10.522666      9.408378
  C       1.168292      7.963374      7.479873
  H       0.795201      9.509675      9.834194
  H       1.332487      7.775345      8.548239
  H       2.036971     11.809916      3.735125
  H       2.094710      8.008304      4.758884
  H       1.484230     13.879209      7.014358
  H      -0.072050     13.216409      7.560417
  H      -0.230927     10.909666      9.444137
  H       0.444123     12.317679      4.330076
  H       0.640405      8.861015      4.194167
  H       0.112368      7.726924      7.250744
  H       6.655263     11.952526      5.665211
  H       3.999367      9.518426      7.837766
  H       3.085583     15.321874      3.750032
  H       2.127093     16.810555      3.658423
  H       1.808757     15.594090      4.941739
  H       4.267282     18.421579      3.829098
  H       5.399264     18.288016      5.229338
  H       3.759783     18.913838      5.450963
  H       3.560701     15.853722      0.948015
  H       4.115429     14.549252     -0.120460
  H       5.130120     16.015905      0.157883
  H       5.960971     15.282796      3.951146
  H       5.960795     16.580727      2.706834
  H       7.049358     15.192526      2.562057
  H       8.233560     12.587052     12.392946
  H       8.225814     13.890877     13.602786
  H       7.443736     14.112074     11.997824
  H       5.248046     11.822753     15.182502
  H       5.791817     13.513539     15.325933
  H       6.986009     12.227319     15.440151
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 17
  B       3.722681     16.764169      5.273896
  B       6.275389     12.715544     13.364162
  B       5.060578      7.827873      8.587239
  B       5.033969     14.652474      1.954915
  C       6.353327     11.143837      6.345443
  H       7.163468     10.395041      6.317177
  C       6.146512     11.671925      7.774614
  H       6.759506     12.568671      7.963853
  H       6.446891     10.908583      8.505063
  C       4.234385     13.890812      8.015878
  H       3.322145     14.186237      8.562139
  H       5.084379     14.280271      8.606613
  C       4.233697     14.508207      6.618850
  H       3.401393     14.072129      6.039912
  H       5.156586     14.218341      6.087221
  C       4.123655     16.045947      6.638427
  H       5.029938     16.479941      7.100945
  H       3.285540     16.324742      7.320422
  C       4.351228     18.156371      4.897598
  C       2.599492     16.110740      4.366101
  C       4.213082     11.887623     10.004362
  H       3.218529     12.298206     10.259528
  H       4.158715     10.807807     10.212643
  C       5.301398     12.557298     10.862478
  H       6.299661     12.243074     10.507745
  H       5.262171     13.654192     10.734830
  C       5.159152     12.203314     12.351417
  H       5.150409     11.095542     12.467987
  H       4.160369     12.509167     12.728387
  C       7.598892     13.394947     12.833818
  C       6.049830     12.496755     14.908609
  C       5.247955      8.675552      5.031054
  H       4.327131      8.301636      4.547798
  H       5.979085      8.837825      4.218242
  C       5.802788      7.626801      5.995028
  H       6.053207      6.753559      5.364622
  H       6.769916      7.982916      6.392827
  C       4.872778      7.193865      7.139245
  H       5.075492      6.121341      7.355856
  H       3.818991      7.188462      6.807699
  C       6.495683      8.433368      8.956459
  H       6.880170      9.084185      8.145930
  C       6.672164      9.167861     10.301344
  H       6.344547      8.501826     11.122409
  H       6.014020     10.049116     10.349792
  C       8.126062      9.593856     10.558887
  H       8.434515     10.326260      9.784507
  H       8.204016     10.114251     11.531285
  C       9.073182      8.386342     10.521624
  H       8.838656      7.719838     11.374530
  H      10.121320      8.709934     10.652126
  C       8.914031      7.600675      9.212540
  H       9.555329      6.700699      9.224642
  H       9.259947      8.224715      8.364353
  C       7.452218      7.190320      8.963086
  H       7.383323      6.632289      8.013790
  H       7.126091      6.493382      9.759505
  C       4.213387      7.234020      9.816758
  H       5.006363      6.926718     10.536562
  C       3.400135      5.949756      9.526039
  H       4.072418      5.176004      9.111854
  H       2.645044      6.140759      8.743989
  C       2.695781      5.397781     10.775751
  H       2.098475      4.506005     10.512567
  H       3.458751      5.062000     11.505616
  C       1.810205      6.462411     11.438972
  H       1.316281      6.052012     12.337835
  H       0.997136      6.751802     10.741463
  C       2.638222      7.702412     11.803924
  H       3.385428      7.420991     12.571580
  H       1.997049      8.480096     12.260273
  C       3.371855      8.280609     10.583837
  H       4.026908      9.103051     10.915924
  H       2.646544      8.734389      9.889038
  C       4.736141     11.143938      3.899736
  H       5.565621     10.672082      3.340332
  H       3.808412     10.767010      3.433761
  C       4.832397     12.663170      3.756382
  H       5.806752     13.003189      4.151074
  H       4.066491     13.145173      4.380660
  C       4.681455     13.139536      2.302889
  H       3.682584     12.864833      1.907362
  H       5.387869     12.569992      1.652905
  C       6.015186     15.494643      2.864466
  C       4.452093     15.280621      0.632951
  Co      3.161681     10.607431      7.034544
  P       4.362876     12.037658      8.166890
  P       4.803467     10.385696      5.612922
  H       1.793964      7.272851      6.900037
  H       2.244432      9.463275      3.722135
  H       1.884921     13.228341      4.796924
  H       1.387142     11.209727     10.043412
  H       1.292272     13.270652      8.669244
  C       1.373972     11.722103      7.152264
  C       1.605932     11.322010      5.796749
  C       1.657895      9.872544      5.774814
  C       1.433717      9.396963      7.110970
  C       1.673886      9.009481      4.547624
  C       1.503286     12.216359      4.597274
  C       1.018612     13.103694      7.615956
  C       1.283692     10.537963      7.976700
  C       0.803776     10.533540      9.399768
  C       1.172517      7.971982      7.479377
  H       0.843580      9.528947      9.843296
  H       1.350299      7.786204      8.546042
  H       2.034563     11.811860      3.724050
  H       2.091395      8.012065      4.755322
  H       1.479747     13.887579      6.997566
  H      -0.078268     13.228033      7.542974
  H      -0.248818     10.871566      9.431566
  H       0.438805     12.317782      4.312914
  H       0.638584      8.864393      4.186275
  H       0.114168      7.733215      7.264313
  H       6.646735     11.961931      5.667909
  H       3.990208      9.534157      7.826939
  H       3.083442     15.321359      3.752497
  H       2.126650     16.811134      3.656538
  H       1.806126     15.598017      4.942403
  H       4.263180     18.425852      3.830601
  H       5.395488     18.292149      5.230556
  H       3.755400     18.916057      5.453014
  H       3.551893     15.855225      0.948017
  H       4.107423     14.552562     -0.122312
  H       5.120175     16.020499      0.156360
  H       5.955709     15.284925      3.948091
  H       5.952255     16.584325      2.705288
  H       7.043278     15.198262      2.558161
  H       8.223354     12.586060     12.393670
  H       8.211301     13.882932     13.611009
  H       7.428344     14.110607     12.007379
  H       5.238896     11.798076     15.179069
  H       5.778561     13.489443     15.331428
  H       6.975784     12.205543     15.439207
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 18
  B       3.720717     16.764823      5.273925
  B       6.262132     12.701899     13.367659
  B       5.078194      7.813556      8.601714
  B       5.029692     14.657744      1.952408
  C       6.347917     11.150470      6.344256
  H       7.161539     10.405674      6.309582
  C       6.140137     11.668199      7.776757
  H       6.758185     12.559465      7.975284
  H       6.432869     10.896991      8.502155
  C       4.232788     13.893299      8.018304
  H       3.319732     14.189222      8.563162
  H       5.082218     14.282224      8.610168
  C       4.233996     14.509985      6.620650
  H       3.404074     14.071529      6.040037
  H       5.158709     14.221470      6.091345
  C       4.120827     16.047532      6.639153
  H       5.025369     16.483543      7.103183
  H       3.281016     16.324719      7.319714
  C       4.345919     18.158762      4.898558
  C       2.600227     16.109104      4.364280
  C       4.207085     11.879823     10.001999
  H       3.210160     12.282422     10.260032
  H       4.159108     10.798295     10.203468
  C       5.291555     12.550437     10.864068
  H       6.291611     12.241647     10.509484
  H       5.248078     13.647668     10.740672
  C       5.148730     12.190336     12.351529
  H       5.143450     11.082098     12.464029
  H       4.148457     12.491404     12.728370
  C       7.584458     13.386843     12.841470
  C       6.035281     12.476638     14.911005
  C       5.243536      8.679261      5.035212
  H       4.321521      8.299836      4.558684
  H       5.970651      8.837818      4.218102
  C       5.805979      7.637630      6.002987
  H       6.063701      6.764795      5.375101
  H       6.770284      8.002254      6.400116
  C       4.878866      7.199067      7.148020
  H       5.074119      6.122595      7.352396
  H       3.822924      7.204639      6.823462
  C       6.509253      8.425836      8.968241
  H       6.888243      9.079287      8.157143
  C       6.686720      9.159703     10.313256
  H       6.362857      8.492345     11.134742
  H       6.026417     10.039540     10.363345
  C       8.140201      9.589462     10.566718
  H       8.443700     10.323852      9.792348
  H       8.219773     10.108623     11.539620
  C       9.090829      8.384801     10.524628
  H       8.860698      7.715946     11.376892
  H      10.138295      8.711393     10.652954
  C       8.931048      7.601019      9.214429
  H       9.575551      6.703312      9.223072
  H       9.272291      8.227935      8.366508
  C       7.470006      7.185852      8.968299
  H       7.399755      6.630735      8.017247
  H       7.148981      6.485359      9.763644
  C       4.229209      7.218456      9.827623
  H       5.017797      6.905788     10.549874
  C       3.407535      5.941242      9.530352
  H       4.074852      5.163886      9.114791
  H       2.655891      6.141825      8.747153
  C       2.695456      5.390477     10.776155
  H       2.093044      4.503466     10.508596
  H       3.453795      5.047622     11.507537
  C       1.814626      6.459250     11.439084
  H       1.315962      6.050165     12.335915
  H       1.005189      6.754791     10.740018
  C       2.648757      7.693787     11.808681
  H       3.391869      7.407099     12.578323
  H       2.010616      8.474576     12.263979
  C       3.390184      8.269650     10.592125
  H       4.047541      9.088904     10.927388
  H       2.669590      8.727154      9.894243
  C       4.737876     11.146972      3.894532
  H       5.571400     10.677532      3.339063
  H       3.813228     10.766664      3.425018
  C       4.829330     12.666675      3.751995
  H       5.802000     13.009453      4.148390
  H       4.061066     13.145600      4.375943
  C       4.679074     13.144030      2.298771
  H       3.681532     12.867101      1.901572
  H       5.388083     12.576899      1.649428
  C       6.011465     15.499536      2.861742
  C       4.446069     15.287118      0.631792
  Co      3.154631     10.619666      7.025295
  P       4.357211     12.039979      8.165588
  P       4.799239     10.392421      5.609226
  H       1.791230      7.283433      6.906060
  H       2.244839      9.457033      3.720732
  H       1.876334     13.227889      4.774090
  H       1.335172     11.292717     10.011212
  H       1.282100     13.291544      8.644072
  C       1.366170     11.734257      7.136101
  C       1.598322     11.326515      5.783251
  C       1.652558      9.876852      5.769491
  C       1.430172      9.408433      7.108549
  C       1.671078      9.007807      4.546557
  C       1.497132     12.214149      4.578628
  C       1.011673     13.119072      7.590895
  C       1.279326     10.554310      7.967650
  C       0.803473     10.554469      9.391445
  C       1.174285      7.985014      7.487319
  H       0.920043      9.569811      9.865039
  H       1.362174      7.805515      8.553434
  H       2.031937     11.806008      3.709216
  H       2.086820      8.010901      4.760240
  H       1.477157     13.898408      6.969991
  H      -0.084580     13.245704      7.513303
  H      -0.271643     10.813291      9.417786
  H       0.433351     12.312010      4.290404
  H       0.636783      8.862186      4.182569
  H       0.114286      7.743282      7.284043
  H       6.636526     11.974612      5.671981
  H       3.979471      9.549993      7.815842
  H       3.085097     15.317959      3.753816
  H       2.129016     16.807906      3.652065
  H       1.805382     15.598122      4.940131
  H       4.261896     18.425710      3.830572
  H       5.387841     18.299942      5.236440
  H       3.743563     18.916922      5.449034
  H       3.544357     15.858490      0.948429
  H       4.102850     14.559590     -0.124663
  H       5.111977     16.029613      0.156287
  H       5.954810     15.288221      3.945191
  H       5.946856     16.589378      2.704296
  H       7.039210     15.205013      2.552422
  H       8.210922     12.581973     12.396876
  H       8.195508     13.872164     13.621389
  H       7.412229     14.106619     12.018936
  H       5.225282     11.775485     15.177844
  H       5.762085     13.467119     15.337705
  H       6.961241     12.184741     15.441250
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 19
  B       3.718119     16.765174      5.274626
  B       6.242297     12.684428     13.375036
  B       5.095423      7.800543      8.614914
  B       5.025622     14.663274      1.946069
  C       6.342695     11.159685      6.342998
  H       7.160308     10.419627      6.300562
  C       6.134160     11.664843      7.779578
  H       6.757678     12.549854      7.988808
  H       6.418711     10.884566      8.498658
  C       4.232293     13.896575      8.022183
  H       3.317785     14.192721      8.564720
  H       5.080538     14.285014      8.616025
  C       4.236505     14.512355      6.623769
  H       3.410308     14.070274      6.040529
  H       5.164057     14.226303      6.097913
  C       4.118271     16.049560      6.640667
  H       5.020386     16.488930      7.106226
  H       3.276137     16.324335      7.319350
  C       4.341286     18.160052      4.899246
  C       2.599574     16.107592      4.364008
  C       4.200090     11.870229      9.999803
  H       3.199709     12.262249     10.259840
  H       4.160506     10.786682     10.192729
  C       5.278612     12.542200     10.868008
  H       6.281363     12.240853     10.514447
  H       5.229456     13.639836     10.750227
  C       5.133653     12.173887     12.353306
  H       5.132834     11.065057     12.460180
  H       4.131058     12.468589     12.728963
  C       7.564060     13.375655     12.855666
  C       6.011389     12.451762     14.916683
  C       5.240270      8.685804      5.038455
  H       4.317826      8.301321      4.566955
  H       5.964611      8.841371      4.218330
  C       5.808863      7.650862      6.010167
  H       6.074018      6.778440      5.384944
  H       6.770098      8.023553      6.407360
  C       4.883572      7.206983      7.155289
  H       5.068790      6.126118      7.345894
  H       3.825579      7.226405      6.837938
  C       6.523074      8.418274      8.978919
  H       6.896945      9.074597      8.167651
  C       6.703012      9.150736     10.324296
  H       6.383100      8.481992     11.146221
  H       6.041306     10.029658     10.376990
  C       8.156577      9.583179     10.572548
  H       8.454866     10.319629      9.798170
  H       8.239130     10.100764     11.546023
  C       9.109971      8.380848     10.524285
  H       8.884714      7.709508     11.375899
  H      10.157041      8.709865     10.649543
  C       8.947819      7.599439      9.212906
  H       9.594818      6.703512      9.217274
  H       9.284059      8.229152      8.365100
  C       7.487042      7.180620      8.971374
  H       7.414134      6.628414      8.018681
  H       7.171178      6.476867      9.765877
  C       4.246173      7.201988      9.837471
  H       5.031868      6.882563     10.559887
  C       3.415663      5.932409      9.532864
  H       4.076903      5.152742      9.111872
  H       2.665037      6.144448      8.751484
  C       2.699954      5.379493     10.775597
  H       2.091969      4.497752     10.503306
  H       3.456076      5.028003     11.505154
  C       1.825538      6.450304     11.443768
  H       1.325444      6.040124     12.339291
  H       1.017311      6.753278     10.746620
  C       2.666246      7.678967     11.818060
  H       3.408111      7.385863     12.586456
  H       2.032175      8.461418     12.276209
  C       3.410891      8.255446     10.603700
  H       4.070063      9.072354     10.940975
  H       2.691793      8.715983      9.905549
  C       4.739942     11.152128      3.888777
  H       5.577567     10.685122      3.337385
  H       3.818502     10.767911      3.415960
  C       4.826323     12.672200      3.746019
  H       5.797030     13.018244      4.144324
  H       4.055321     13.148496      4.368819
  C       4.677222     13.149081      2.292563
  H       3.680814     12.870213      1.893917
  H       5.388319     12.583259      1.644338
  C       6.006735     15.506642      2.854623
  C       4.440283     15.291367      0.625562
  Co      3.147736     10.634473      7.015587
  P       4.352164     12.043172      8.165038
  P       4.795388     10.401608      5.605111
  H       1.785346      7.297374      6.926913
  H       2.245693      9.442801      3.724394
  H       1.868496     13.223047      4.741725
  H       1.258728     11.405470      9.966427
  H       1.271417     13.323292      8.608146
  C       1.358945     11.751344      7.115640
  C       1.590829     11.330535      5.767200
  C       1.646798      9.880602      5.767148
  C       1.425953      9.424745      7.110859
  C       1.668129      9.001111      4.551737
  C       1.491188     12.207053      4.554284
  C       1.006186     13.141502      7.555306
  C       1.275501     10.578882      7.958950
  C       0.805959     10.588261      9.384157
  C       1.172810      8.004961      7.505626
  H       1.027150      9.643051      9.899059
  H       1.367810      7.836074      8.572308
  H       2.028867     11.791917      3.689946
  H       2.082037      8.005590      4.775285
  H       1.478502     13.913147      6.929968
  H      -0.089039     13.271574      7.470118
  H      -0.290406     10.734187      9.407950
  H       0.428020     12.300731      4.262412
  H       0.635077      8.853649      4.184985
  H       0.111306      7.761319      7.312659
  H       6.625521     11.991031      5.677114
  H       3.968465      9.567504      7.804306
  H       3.088322     15.320879      3.750901
  H       2.125427     16.806608      3.653951
  H       1.807010     15.591135      4.937990
  H       4.255152     18.428279      3.831767
  H       5.383637     18.301909      5.235548
  H       3.739188     18.916833      5.451930
  H       3.535879     15.858457      0.942276
  H       4.100281     14.562745     -0.131321
  H       5.103048     16.036955      0.150563
  H       5.953420     15.293181      3.937819
  H       5.938008     16.596528      2.699179
  H       7.034694     15.216371      2.542037
  H       8.193525     12.575172     12.407428
  H       8.172220     13.858115     13.639601
  H       7.391352     14.099805     12.037060
  H       5.203146     11.746475     15.177923
  H       5.732769     13.439459     15.346365
  H       6.936640     12.161359     15.448951
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 20
  B       3.715233     16.764779      5.274006
  B       6.215386     12.661137     13.385350
  B       5.110227      7.789239      8.626899
  B       5.021537     14.671312      1.938847
  C       6.338352     11.170689      6.340707
  H       7.159687     10.435218      6.290332
  C       6.129231     11.662931      7.781445
  H       6.758079     12.541593      8.001327
  H       6.405834     10.873636      8.493917
  C       4.233478     13.901384      8.026503
  H       3.316532     14.197773      8.565011
  H       5.079463     14.289218      8.623914
  C       4.243202     14.515998      6.627137
  H       3.423366     14.068280      6.039219
  H       5.175575     14.234103      6.107324
  C       4.116473     16.052558      6.641438
  H       5.014617     16.497675      7.109150
  H       3.270650     16.323280      7.317200
  C       4.334228     18.161208      4.897411
  C       2.599519     16.102790      4.363117
  C       4.192228     11.858692      9.996063
  H       3.187439     12.237368     10.257580
  H       4.162719     10.772759     10.177988
  C       5.262636     12.531762     10.873073
  H       6.268945     12.239939     10.521408
  H       5.206307     13.629871     10.762870
  C       5.113912     12.152185     12.355228
  H       5.119232     11.042617     12.454364
  H       4.107949     12.438132     12.728586
  C       7.536856     13.360556     12.876349
  C       5.977760     12.418379     14.924428
  C       5.236637      8.694591      5.040529
  H       4.313795      8.305871      4.573474
  H       5.958921      8.846506      4.217918
  C       5.809669      7.665962      6.016614
  H       6.082014      6.793703      5.394405
  H       6.767779      8.045950      6.414505
  C       4.885000      7.217678      7.161277
  H       5.057252      6.132084      7.336713
  H       3.825191      7.253994      6.851305
  C       6.535118      8.411418      8.988102
  H       6.903705      9.070829      8.176843
  C       6.718727      9.141664     10.334103
  H       6.402989      8.471231     11.156284
  H       6.056102     10.019954     10.390214
  C       8.172716      9.575979     10.576580
  H       8.465751     10.314873      9.802586
  H       8.258988     10.091288     11.550924
  C       9.128238      8.375594     10.520781
  H       8.908075      7.701343     11.371431
  H      10.175131      8.706461     10.642525
  C       8.962492      7.597440      9.207857
  H       9.611643      6.703072      9.206928
  H       9.293377      8.230339      8.360351
  C       7.501654      7.175686      8.971777
  H       7.425096      6.626697      8.017371
  H       7.191316      6.468550      9.765417
  C       4.262668      7.184721      9.846525
  H       5.047646      6.857175     10.566108
  C       3.423369      5.922943      9.534272
  H       4.077353      5.143110      9.102334
  H       2.669904      6.148135      8.759091
  C       2.710688      5.363137     10.775639
  H       2.096931      4.486820     10.498851
  H       3.468593      5.001646     11.498412
  C       1.844589      6.432602     11.456731
  H       1.348402      6.017880     12.352326
  H       1.033651      6.743783     10.766598
  C       2.691772      7.655658     11.834857
  H       3.436872      7.355377     12.597315
  H       2.062783      8.437391     12.301172
  C       3.432384      8.237095     10.620342
  H       4.092607      9.053109     10.957654
  H       2.709510      8.699244      9.926360
  C       4.744007     11.159294      3.881452
  H       5.587333     10.695994      3.335576
  H       3.827146     10.769451      3.404104
  C       4.823195     12.679834      3.738664
  H       5.791032     13.030360      4.139938
  H       4.048254     13.152243      4.359779
  C       4.675981     13.156398      2.284935
  H       3.681375     12.874558      1.883995
  H       5.390431     12.592665      1.638530
  C       6.002287     15.516022      2.846560
  C       4.433912     15.298954      0.619099
  Co      3.141467     10.652865      7.003861
  P       4.348170     12.047878      8.163599
  P       4.792204     10.413361      5.599485
  H       1.778332      7.316377      6.967794
  H       2.245664      9.417076      3.734018
  H       1.860293     13.211490      4.695675
  H       1.158636     11.543409      9.905197
  H       1.263765     13.370077      8.555953
  C       1.353144     11.774486      7.088543
  C       1.583637     11.333181      5.746935
  C       1.640550      9.883137      5.768138
  C       1.421907      9.447365      7.118882
  C       1.664225      8.987069      4.564952
  C       1.485238     12.192270      4.521466
  C       1.003769     13.172711      7.504698
  C       1.273812     10.614225      7.949919
  C       0.817317     10.638863      9.378763
  C       1.169381      8.034153      7.537729
  H       1.170378      9.764080      9.942625
  H       1.368189      7.882560      8.606396
  H       2.025784     11.766009      3.664345
  H       2.076352      7.994267      4.803460
  H       1.484597     13.932068      6.870966
  H      -0.090072     13.307322      7.410318
  H      -0.288499     10.635680      9.412533
  H       0.422617     12.279790      4.225695
  H       0.632442      8.835847      4.196170
  H       0.106717      7.788662      7.353482
  H       6.615613     12.009274      5.681512
  H       3.956784      9.587908      7.791833
  H       3.093385     15.322575      3.745853
  H       2.119689     16.801345      3.656398
  H       1.811322     15.578271      4.935628
  H       4.243870     18.430586      3.830599
  H       5.377597     18.304237      5.230140
  H       3.733302     18.916339      5.453601
  H       3.527163     15.861884      0.936553
  H       4.096591     14.569817     -0.138511
  H       5.093622     16.047665      0.144802
  H       5.953269     15.300108      3.929465
  H       5.929045     16.605978      2.693587
  H       7.030276     15.230430      2.529790
  H       8.170941     12.565495     12.424977
  H       8.140120     13.839751     13.666042
  H       7.364706     14.089778     12.062129
  H       5.171681     11.707577     15.177318
  H       5.691597     13.402212     15.358038
  H       6.901568     12.129763     15.460129
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 21
  B       3.719154     16.767243      5.271596
  B       6.201857     12.652609     13.385810
  B       5.128054      7.776574      8.644592
  B       5.013834     14.671413      1.929442
  C       6.332443     11.177031      6.336750
  H       7.157540     10.446332      6.278786
  C       6.123363     11.657425      7.781179
  H       6.758069     12.529347      8.010928
  H       6.391513     10.859430      8.487384
  C       4.234973     13.904369      8.025678
  H       3.318658     14.202666      8.564392
  H       5.082036     14.290499      8.622628
  C       4.244956     14.518482      6.625794
  H       3.425386     14.070272      6.037828
  H       5.177510     14.236353      6.106341
  C       4.118137     16.055101      6.639771
  H       5.015728     16.500092      7.108683
  H       3.271438     16.325504      7.314506
  C       4.342866     18.161363      4.894120
  C       2.601934     16.107698      4.360823
  C       4.186493     11.853082      9.991226
  H       3.179496     12.224287     10.254478
  H       4.163495     10.765945     10.167538
  C       5.252872     12.527645     10.871871
  H       6.260883     12.240547     10.521099
  H       5.192609     13.625834     10.764544
  C       5.103009     12.143840     12.352841
  H       5.111111     11.034044     12.449251
  H       4.095751     12.426185     12.725416
  C       7.522876     13.355416     12.880312
  C       5.962266     12.406132     14.923996
  C       5.232648      8.696836      5.046039
  H       4.309174      8.300672      4.586591
  H       5.950894      8.844109      4.219053
  C       5.814299      7.678931      6.028876
  H       6.097467      6.806680      5.411674
  H       6.767645      8.070903      6.426821
  C       4.891562      7.225261      7.173780
  H       5.052623      6.135701      7.334932
  H       3.830147      7.276390      6.871536
  C       6.549696      8.402941      9.005331
  H       6.915605      9.064086      8.194144
  C       6.732820      9.133266     10.351229
  H       6.416866      8.463286     11.173711
  H       6.070252     10.011967     10.406221
  C       8.186828      9.567915     10.593109
  H       8.478717     10.307845      9.819716
  H       8.273618     10.082085     11.567993
  C       9.143096      8.368157     10.535103
  H       8.923563      7.692200     11.384567
  H      10.189741      8.699599     10.657360
  C       8.978256      7.592166      9.220722
  H       9.628742      6.698788      9.217897
  H       9.307762      8.227210      8.374325
  C       7.517931      7.168601      8.984525
  H       7.440974      6.622897      8.028098
  H       7.209516      6.458395      9.776160
  C       4.276697      7.171595      9.859936
  H       5.055216      6.841403     10.585130
  C       3.432039      5.915139      9.541289
  H       4.083493      5.132064      9.111309
  H       2.684048      6.147006      8.762494
  C       2.709021      5.358120     10.777869
  H       2.092479      4.485109     10.496890
  H       3.460730      4.992373     11.504939
  C       1.844066      6.431675     11.454045
  H       1.341227      6.019406     12.347050
  H       1.038360      6.746188     10.759383
  C       2.694169      7.651353     11.836575
  H       3.433492      7.348679     12.603664
  H       2.065595      8.436073     12.298391
  C       3.444768      8.228878     10.626252
  H       4.105027      9.043645     10.966546
  H       2.727231      8.691562      9.926554
  C       4.742838     11.159955      3.874456
  H       5.588038     10.697204      3.330972
  H       3.827342     10.768080      3.396033
  C       4.819252     12.680710      3.730699
  H       5.786939     13.033026      4.130704
  H       4.044206     13.151908      4.352828
  C       4.669463     13.156598      2.276993
  H       3.674655     12.873442      1.877556
  H       5.383790     12.593370      1.629960
  C       5.998348     15.515953      2.833272
  C       4.421801     15.299122      0.611684
  Co      3.134679     10.664833      6.993993
  P       4.343576     12.050563      8.159908
  P       4.787241     10.419087      5.594369
  H       1.777056      7.325796      6.962668
  H       2.241892      9.421345      3.728508
  H       1.850401     13.217570      4.683235
  H       1.128410     11.573724      9.885494
  H       1.259742     13.382798      8.542942
  C       1.346090     11.784379      7.078411
  C       1.575506     11.340783      5.737409
  C       1.634387      9.890717      5.761168
  C       1.419307      9.456935      7.113112
  C       1.659046      8.992911      4.559282
  C       1.477520     12.197348      4.510091
  C       0.998941     13.183924      7.492150
  C       1.270597     10.625227      7.942126
  C       0.822206     10.648559      9.373530
  C       1.172935      8.044013      7.537277
  H       1.215978      9.796728      9.945783
  H       1.382905      7.895086      8.604266
  H       2.021028     11.770484      3.655072
  H       2.070279      8.000170      4.799690
  H       1.481792     13.941016      6.857229
  H      -0.094524     13.321074      7.397521
  H      -0.282187     10.599014      9.415749
  H       0.415465     12.282306      4.211559
  H       0.627695      8.841775      4.189294
  H       0.108832      7.796278      7.364703
  H       6.603518     12.022224      5.683413
  H       3.946765      9.604613      7.782074
  H       3.094132     15.327238      3.742561
  H       2.123169     16.807829      3.654882
  H       1.813059     15.584095      4.933201
  H       4.249445     18.433001      3.828175
  H       5.388447     18.298263      5.222624
  H       3.748828     18.918701      5.454652
  H       3.516398     15.862458      0.932227
  H       4.081596     14.570090     -0.144734
  H       5.080196     16.047551      0.135105
  H       5.954004     15.299881      3.916347
  H       5.924380     16.605941      2.680829
  H       7.024977     15.230538      2.511955
  H       8.158732     12.562604     12.427478
  H       8.124452     13.833429     13.672006
  H       7.350491     14.086605     12.067901
  H       5.157099     11.693298     15.174071
  H       5.673550     13.388498     15.359236
  H       6.885746     12.118103     15.460577
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 22
  B       3.721255     16.770178      5.269834
  B       6.193746     12.645713     13.384024
  B       5.147254      7.763578      8.663161
  B       5.002990     14.670695      1.920391
  C       6.327089     11.183021      6.331662
  H       7.156974     10.458544      6.264629
  C       6.118602     11.649713      7.780286
  H       6.760543     12.513317      8.021186
  H       6.376728     10.841607      8.478948
  C       4.239115     13.907031      8.023745
  H       3.324610     14.207661      8.564438
  H       5.088563     14.291005      8.618652
  C       4.246861     14.520663      6.623411
  H       3.425716     14.072809      6.037316
  H       5.178081     14.237365      6.102155
  C       4.121745     16.057413      6.637233
  H       5.020541     16.501490      7.104710
  H       3.276400     16.328819      7.313279
  C       4.346417     18.163469      4.891599
  C       2.601494     16.112243      4.361063
  C       4.182934     11.848882      9.986161
  H       3.174415     12.214405     10.251237
  H       4.165200     10.760854     10.158131
  C       5.246623     12.524372     10.869266
  H       6.255689     12.240248     10.519069
  H       5.183929     13.622615     10.763881
  C       5.096029     12.137809     12.349445
  H       5.105068     11.027861     12.444031
  H       4.088243     12.418575     12.721777
  C       7.514370     13.350650     12.880439
  C       5.953484     12.396278     14.921625
  C       5.230748      8.697878      5.051885
  H       4.307288      8.293330      4.599764
  H       5.945314      8.840837      4.220953
  C       5.821166      7.692181      6.042699
  H       6.117035      6.819919      5.431688
  H       6.768628      8.097687      6.441371
  C       4.899489      7.233131      7.187204
  H       5.047022      6.139503      7.332881
  H       3.836802      7.301522      6.893017
  C       6.565930      8.392797      9.024749
  H       6.931173      9.055100      8.214062
  C       6.747579      9.123412     10.370549
  H       6.428997      8.454754     11.193108
  H       6.086340     10.003587     10.422879
  C       8.201869      9.556240     10.614059
  H       8.494920     10.296786      9.841731
  H       8.288445     10.069110     11.589633
  C       9.157236      8.355711     10.555379
  H       8.936041      7.678395     11.403334
  H      10.203895      8.686288     10.679804
  C       8.994293      7.582082      9.239316
  H       9.644960      6.688850      9.235595
  H       9.324493      8.218836      8.394520
  C       7.534277      7.158602      9.000840
  H       7.457582      6.616459      8.042191
  H       7.225730      6.445630      9.789924
  C       4.290552      7.159348      9.873730
  H       5.060393      6.827846     10.607242
  C       3.441068      5.907952      9.548783
  H       4.091274      5.120247      9.125302
  H       2.701707      6.144601      8.762919
  C       2.702737      5.357396     10.779139
  H       2.083890      4.487456     10.493769
  H       3.445083      4.988795     11.514314
  C       1.837198      6.437381     11.444345
  H       1.323789      6.030136     12.333628
  H       1.039777      6.754210     10.741270
  C       2.689734      7.653798     11.831893
  H       3.419807      7.349749     12.607214
  H       2.060567      8.443116     12.284989
  C       3.455709      8.224056     10.627671
  H       4.116405      9.036688     10.972313
  H       2.747311      8.687882      9.918974
  C       4.740870     11.158987      3.867011
  H       5.586846     10.696267      3.324676
  H       3.825788     10.765786      3.388815
  C       4.815167     12.679947      3.722318
  H       5.783393     13.033532      4.119854
  H       4.040982     13.150190      4.346456
  C       4.661425     13.155472      2.268905
  H       3.666124     12.870988      1.871643
  H       5.375073     12.593104      1.620381
  C       5.989251     15.516471      2.821144
  C       4.406082     15.297762      0.604502
  Co      3.128938     10.675783      6.984171
  P       4.340670     12.052837      8.155715
  P       4.783076     10.423431      5.588889
  H       1.776550      7.334135      6.946970
  H       2.237469      9.433138      3.719414
  H       1.839907     13.228443      4.677231
  H       1.114862     11.584467      9.874935
  H       1.258934     13.389359      8.538146
  C       1.340030     11.792512      7.071679
  C       1.567973     11.350451      5.729888
  C       1.629093      9.900351      5.752390
  C       1.417709      9.464813      7.104372
  C       1.654665      9.003667      4.549659
  C       1.469789     12.207419      4.502826
  C       0.995286     13.192026      7.487738
  C       1.267880     10.632164      7.934519
  C       0.825587     10.651205      9.367870
  C       1.178296      8.050833      7.529670
  H       1.239881      9.809638      9.941017
  H       1.401473      7.901013      8.593918
  H       2.016399     11.782291      3.648841
  H       2.066472      8.010934      4.789215
  H       1.478440     13.948949      6.852801
  H      -0.098076     13.331434      7.395584
  H      -0.277282     10.578729      9.415858
  H       0.408219     12.289908      4.201883
  H       0.623547      8.852170      4.179209
  H       0.112622      7.801254      7.369940
  H       6.590062     12.035916      5.684997
  H       3.938338      9.620552      7.772185
  H       3.091325     15.329916      3.743291
  H       2.123443     16.812586      3.654855
  H       1.812132     15.591123      4.935016
  H       4.249706     18.436764      3.826387
  H       5.393557     18.297441      5.216402
  H       3.756468     18.921430      5.455582
  H       3.500284     15.858898      0.927784
  H       4.065334     14.568262     -0.151234
  H       5.061487     16.047799      0.126351
  H       5.949642     15.299606      3.904240
  H       5.912515     16.606408      2.669658
  H       7.015154     15.233388      2.495454
  H       8.150559     12.559640     12.424954
  H       8.115821     13.826755     13.673369
  H       7.341207     14.084181     12.070289
  H       5.148636     11.682482     15.169978
  H       5.663943     13.377662     15.358525
  H       6.876874     12.107849     15.458151
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 23
  B       3.725744     16.772915      5.267645
  B       6.186580     12.638882     13.382307
  B       5.166874      7.749835      8.681403
  B       4.991256     14.669796      1.910752
  C       6.320712     11.189561      6.326140
  H       7.155149     10.471263      6.249755
  C       6.113221     11.642177      7.779008
  H       6.761852     12.497671      8.030806
  H       6.362044     10.824175      8.469734
  C       4.242743     13.909427      8.021876
  H       3.330220     14.212687      8.564626
  H       5.094743     14.291089      8.614597
  C       4.248325     14.522546      6.621089
  H       3.425240     14.075569      6.036984
  H       5.177977     14.237597      6.097895
  C       4.125719     16.059533      6.634906
  H       5.025707     16.502012      7.101628
  H       3.281452     16.332174      7.311759
  C       4.354532     18.164284      4.888372
  C       2.603038     16.117807      4.360503
  C       4.179027     11.845489      9.981712
  H       3.169693     12.207433     10.248379
  H       4.164527     10.756746     10.150071
  C       5.241209     12.520753     10.866765
  H       6.250856     12.237658     10.517411
  H       5.177869     13.619060     10.762389
  C       5.089171     12.132919     12.346478
  H       5.097111     11.022917     12.440182
  H       4.081364     12.414301     12.718306
  C       7.508097     13.343231     12.880246
  C       5.944665     12.388925     14.919569
  C       5.227540      8.699166      5.057954
  H       4.303684      8.286187      4.614334
  H       5.937567      8.837416      4.222334
  C       5.827921      7.705955      6.056087
  H       6.136808      6.834402      5.450712
  H       6.769216      8.125494      6.455067
  C       4.908525      7.240260      7.200532
  H       5.044604      6.143211      7.330989
  H       3.844625      7.323655      6.914755
  C       6.582472      8.382306      9.044104
  H       6.946027      9.046484      8.234030
  C       6.761217      9.113420     10.389893
  H       6.441019      8.445472     11.212418
  H       6.099788      9.993856     10.439565
  C       8.215002      9.546862     10.635229
  H       8.508108     10.288423      9.863924
  H       8.300408     10.058663     11.611462
  C       9.171416      8.347099     10.576053
  H       8.949551      7.668139     11.422525
  H      10.217541      8.678485     10.702744
  C       9.011707      7.575453      9.258356
  H       9.663944      6.683382      9.253919
  H       9.341784      8.214343      8.415162
  C       7.552689      7.149895      9.017368
  H       7.477255      6.611064      8.056568
  H       7.244896      6.433759      9.803892
  C       4.304423      7.146377      9.886883
  H       5.065466      6.814052     10.628889
  C       3.450722      5.899667      9.555618
  H       4.099702      5.107578      9.138397
  H       2.719807      6.140956      8.763007
  C       2.697541      5.355370     10.779695
  H       2.076989      4.488062     10.490096
  H       3.430708      4.984557     11.522901
  C       1.830901      6.441329     11.433745
  H       1.307347      6.039065     12.319367
  H       1.041567      6.759634     10.722298
  C       2.684947      7.655253     11.825826
  H       3.405845      7.350837     12.609505
  H       2.054675      8.448913     12.269723
  C       3.465855      8.218122     10.627630
  H       4.125938      9.029597     10.976167
  H       2.766378      8.681712      9.909498
  C       4.737340     11.158282      3.859548
  H       5.583560     10.694948      3.318089
  H       3.822221     10.764364      3.381965
  C       4.810493     12.679381      3.713701
  H       5.779939     13.033560      4.107657
  H       4.038239     13.149348      4.340646
  C       4.651368     13.154541      2.260740
  H       3.654785     12.869589      1.867060
  H       5.363004     12.592333      1.609869
  C       5.982101     15.515261      2.806764
  C       4.388289     15.296949      0.597676
  Co      3.122545     10.685934      6.975338
  P       4.337203     12.054919      8.151966
  P       4.777800     10.428068      5.583378
  H       1.779305      7.342292      6.932445
  H       2.231100      9.446435      3.710243
  H       1.830108     13.240098      4.674427
  H       1.104907     11.590418      9.867503
  H       1.257467     13.394027      8.536653
  C       1.333279     11.799863      7.067055
  C       1.559672     11.360341      5.724113
  C       1.622771      9.910217      5.744164
  C       1.415169      9.471827      7.095852
  C       1.648668      9.015491      4.539962
  C       1.461448     12.218861      4.498106
  C       0.990939     13.199005      7.486501
  C       1.264512     10.637607      7.928073
  C       0.828672     10.651595      9.363468
  C       1.182907      8.056236      7.520503
  H       1.259976      9.817852      9.935695
  H       1.414502      7.905501      8.582909
  H       2.010165     11.795579      3.644473
  H       2.060986      8.022548      4.777856
  H       1.474192     13.956282      6.851999
  H      -0.102347     13.340573      7.397038
  H      -0.272540     10.560745      9.417353
  H       0.400296     12.300392      4.195446
  H       0.617573      8.864030      4.169463
  H       0.116959      7.803121      7.368448
  H       6.575476     12.050089      5.686315
  H       3.929373      9.635194      7.762344
  H       3.089501     15.332639      3.743701
  H       2.127029     16.818796      3.653564
  H       1.812217     15.600549      4.935950
  H       4.256295     18.438429      3.823531
  H       5.402844     18.294680      5.210887
  H       3.768456     18.923878      5.454212
  H       3.483724     15.857586      0.925273
  H       4.044375     14.567503     -0.156680
  H       5.041184     16.047389      0.116740
  H       5.947681     15.298206      3.890007
  H       5.904780     16.605240      2.655875
  H       7.006371     15.232069      2.476077
  H       8.143739     12.552385     12.423724
  H       8.109680     13.817707     13.674049
  H       7.335751     14.078116     12.071134
  H       5.138620     11.676105     15.166845
  H       5.656149     13.370462     15.356803
  H       6.867204     12.098891     15.456695
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 24
  B       3.730151     16.775483      5.265434
  B       6.177906     12.630476     13.381481
  B       5.186950      7.737699      8.700321
  B       4.978240     14.668676      1.898216
  C       6.313306     11.199772      6.318729
  H       7.154330     10.490650      6.229758
  C       6.107594     11.634074      7.777018
  H       6.763799     12.479781      8.042042
  H       6.346053     10.803964      8.457160
  C       4.247193     13.911813      8.019993
  H       3.336812     14.217973      8.564898
  H       5.101917     14.291066      8.610293
  C       4.250403     14.524159      6.618627
  H       3.425127     14.078116      6.036835
  H       5.178252     14.237221      6.093261
  C       4.130843     16.061384      6.632102
  H       5.032475     16.502156      7.097278
  H       3.288231     16.335836      7.310280
  C       4.362247     18.165007      4.884829
  C       2.604121     16.123101      4.360503
  C       4.175135     11.841643      9.977041
  H       3.165088     12.200238     10.245287
  H       4.163543     10.752181     10.141554
  C       5.235863     12.516015     10.864446
  H       6.246047     12.233536     10.516135
  H       5.172427     13.614441     10.761380
  C       5.081615     12.126511     12.343501
  H       5.088810     11.016401     12.436001
  H       4.073441     12.408003     12.714233
  C       7.500451     13.334762     12.882049
  C       5.934212     12.377821     14.918023
  C       5.226163      8.702365      5.063892
  H       4.303101      8.279975      4.627515
  H       5.932930      8.836300      4.224792
  C       5.835595      7.723242      6.071128
  H       6.159848      6.852359      5.473068
  H       6.769192      8.158384      6.471687
  C       4.916793      7.251058      7.214315
  H       5.036511      6.150189      7.326521
  H       3.852165      7.354915      6.937969
  C       6.600003      8.371986      9.064716
  H       6.963528      9.037599      8.255634
  C       6.776639      9.103089     10.410645
  H       6.453433      8.436332     11.232978
  H       6.116589      9.985006     10.457510
  C       8.230628      9.534535     10.658261
  H       8.525207     10.276656      9.888100
  H       8.315520     10.045003     11.635220
  C       9.185997      8.333860     10.598796
  H       8.961905      7.653551     11.443606
  H      10.232134      8.664148     10.728207
  C       9.028737      7.564663      9.279318
  H       9.680939      6.672579      9.274347
  H       9.360171      8.205203      8.437956
  C       7.570057      7.139605      9.035194
  H       7.495327      6.604454      8.072101
  H       7.261553      6.420673      9.818885
  C       4.319199      7.134139      9.900663
  H       5.071322      6.800840     10.650971
  C       3.461389      5.892172      9.562890
  H       4.109212      5.095861      9.151869
  H       2.738957      6.137907      8.763585
  C       2.693563      5.354041     10.780543
  H       2.071321      4.489394     10.486667
  H       3.417525      4.980995     11.531594
  C       1.826025      6.445879     11.423637
  H       1.292439      6.048499     12.305463
  H       1.044813      6.765741     10.704011
  C       2.681614      7.657190     11.820484
  H       3.393282      7.352203     12.612302
  H       2.050460      8.455106     12.255426
  C       3.477400      8.212860     10.628613
  H       4.137223      9.022788     10.981311
  H       2.786984      8.676784      9.901465
  C       4.732563     11.158185      3.850527
  H       5.578889     10.694201      3.309784
  H       3.817308     10.763079      3.374165
  C       4.804264     12.679373      3.702792
  H       5.774849     13.034478      4.093011
  H       4.033842     13.149278      4.332270
  C       4.639971     13.153500      2.250091
  H       3.642205     12.867972      1.859858
  H       5.349712     12.591188      1.597251
  C       5.972636     15.514624      2.789823
  C       4.369246     15.295549      0.587785
  Co      3.116071     10.697215      6.965788
  P       4.333945     12.056976      8.148153
  P       4.772260     10.434356      5.576658
  H       1.779693      7.350982      6.918394
  H       2.224366      9.458739      3.701611
  H       1.819304     13.250934      4.669514
  H       1.092800     11.599856      9.858745
  H       1.256176     13.400554      8.533063
  C       1.326564     11.808120      7.061428
  C       1.551022     11.370119      5.717616
  C       1.616447      9.919942      5.736294
  C       1.412947      9.479794      7.088020
  C       1.643054      9.026282      4.531296
  C       1.452154     12.229327      4.492128
  C       0.986812     13.207222      7.483284
  C       1.261584     10.644622      7.921509
  C       0.832617     10.654182      9.359022
  C       1.188022      8.063068      7.513532
  H       1.283421      9.830656      9.931208
  H       1.431405      7.911753      8.573293
  H       2.002594     11.807377      3.638877
  H       2.057114      8.033786      4.768105
  H       1.470474     13.964321      6.848828
  H      -0.106332     13.351193      7.396281
  H      -0.266244     10.541664      9.419160
  H       0.391262     12.309561      4.188220
  H       0.612027      8.873464      4.161208
  H       0.121116      7.807419      7.372869
  H       6.556151     12.070264      5.687767
  H       3.920328      9.650664      7.752529
  H       3.087302     15.335861      3.743779
  H       2.129201     16.824920      3.653662
  H       1.812618     15.608805      4.937653
  H       4.261035     18.440514      3.820631
  H       5.412257     18.291261      5.203518
  H       3.781269     18.926191      5.453770
  H       3.465427     15.855084      0.919313
  H       4.022895     14.565865     -0.165237
  H       5.019303     16.046754      0.104223
  H       5.943877     15.297107      3.873142
  H       5.893489     16.604588      2.639732
  H       6.995504     15.232668      2.453770
  H       8.135713     12.544513     12.424005
  H       8.101875     13.806924     13.677346
  H       7.329164     14.071716     12.074585
  H       5.127522     11.664980     15.163136
  H       5.645769     13.358703     15.356766
  H       6.856028     12.086304     15.455593
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 25
  B       3.734918     16.777847      5.263703
  B       6.171949     12.621702     13.379992
  B       5.207938      7.726385      8.719842
  B       4.961716     14.667838      1.883089
  C       6.304671     11.213410      6.309515
  H       7.153638     10.515867      6.205400
  C       6.101697     11.626011      7.774044
  H       6.765612     12.460998      8.053618
  H       6.329868     10.782449      8.441384
  C       4.251466     13.913836      8.018536
  H       3.343207     14.222763      8.565607
  H       5.108858     14.290790      8.606393
  C       4.252173     14.525551      6.616636
  H       3.424853     14.080329      6.037048
  H       5.178315     14.236991      6.089078
  C       4.135312     16.062998      6.630072
  H       5.038240     16.502044      7.094385
  H       3.293852     16.338838      7.309091
  C       4.372380     18.164448      4.881327
  C       2.604924     16.129312      4.361059
  C       4.172030     11.837575      9.972829
  H       3.161549     12.193311     10.243046
  H       4.162984     10.747452     10.133729
  C       5.231987     12.510814     10.861959
  H       6.242379     12.228005     10.514563
  H       5.169221     13.609352     10.759631
  C       5.075688     12.120580     12.340625
  H       5.080827     11.010409     12.432504
  H       4.067659     12.403614     12.710564
  C       7.496251     13.323862     12.882232
  C       5.926526     12.368147     14.916119
  C       5.226470      8.707502      5.069680
  H       4.305214      8.274250      4.640154
  H       5.930589      8.837530      4.227716
  C       5.845238      7.744764      6.087670
  H       6.188281      6.875124      5.498572
  H       6.768948      8.198185      6.491059
  C       4.926013      7.264902      7.228310
  H       5.026255      6.160333      7.319272
  H       3.861265      7.392786      6.962381
  C       6.618479      8.361618      9.087547
  H       6.983324      9.029022      8.280372
  C       6.792195      9.091662     10.434253
  H       6.464655      8.425845     11.255659
  H       6.134197      9.975519     10.478136
  C       8.246452      9.519810     10.685872
  H       8.543841     10.262722      9.917614
  H       8.330263     10.028227     11.663980
  C       9.199876      8.317492     10.626335
  H       8.972111      7.635464     11.468786
  H      10.246132      8.645767     10.759817
  C       9.045868      7.551735      9.304420
  H       9.697298      6.659099      9.299026
  H       9.380072      8.194183      8.465662
  C       7.587435      7.128528      9.055369
  H       7.513989      6.597751      8.089570
  H       7.276898      6.406520      9.835425
  C       4.334305      7.121807      9.914163
  H       5.076921      6.787521     10.673123
  C       3.473063      5.884475      9.568818
  H       4.120180      5.084290      9.164187
  H       2.759687      6.134627      8.762482
  C       2.690000      5.352013     10.779207
  H       2.066553      4.489948     10.480363
  H       3.404250      4.976767     11.538399
  C       1.820967      6.449278     11.411072
  H       1.276963      6.056411     12.288541
  H       1.048312      6.770595     10.682948
  C       2.677403      7.658144     11.813600
  H       3.379268      7.352674     12.613903
  H       2.044933      8.460001     12.239310
  C       3.488690      8.207072     10.628946
  H       4.147761      9.015536     10.986494
  H       2.807879      8.671314      9.892488
  C       4.725790     11.159071      3.840250
  H       5.571625     10.694080      3.299610
  H       3.809903     10.762878      3.366029
  C       4.796294     12.680309      3.690070
  H       5.768635     13.036150      4.075104
  H       4.028704     13.150624      4.322949
  C       4.625030     13.152956      2.237722
  H       3.625460     12.867107      1.852386
  H       5.331768     12.590059      1.582147
  C       5.961081     15.514096      2.768813
  C       4.345724     15.294049      0.575619
  Co      3.109392     10.708665      6.956286
  P       4.330673     12.058692      8.144691
  P       4.766146     10.442211      5.568861
  H       1.780507      7.359614      6.904225
  H       2.216770      9.471598      3.692926
  H       1.807869     13.261824      4.665181
  H       1.082276     11.607837      9.851041
  H       1.254328     13.406579      8.530241
  C       1.319563     11.816151      7.056328
  C       1.541899     11.379849      5.711562
  C       1.609954      9.929603      5.728689
  C       1.410745      9.487549      7.080392
  C       1.637511      9.037012      4.522897
  C       1.441740     12.240006      4.486820
  C       0.982166     13.215085      7.480807
  C       1.258713     10.651316      7.915327
  C       0.837009     10.656253      9.355028
  C       1.193394      8.069604      7.506429
  H       1.306202      9.842396      9.926447
  H       1.448318      7.917574      8.563435
  H       1.993056     11.819379      3.633418
  H       2.054555      8.045444      4.758415
  H       1.466091     13.972211      6.846528
  H      -0.110855     13.361274      7.396293
  H      -0.259193     10.523489      9.421580
  H       0.380889     12.319357      4.182548
  H       0.606519      8.881700      4.153795
  H       0.125733      7.811251      7.376866
  H       6.532650     12.095468      5.689115
  H       3.911089      9.665950      7.743013
  H       3.084686     15.341021      3.743001
  H       2.130765     16.832867      3.655430
  H       1.813074     15.617099      4.939544
  H       4.267091     18.442214      3.818139
  H       5.424861     18.284018      5.194526
  H       3.799320     18.928087      5.454969
  H       3.443252     15.853061      0.911685
  H       3.995898     14.563912     -0.175365
  H       4.992797     16.045494      0.088455
  H       5.938996     15.296516      3.852282
  H       5.880561     16.604035      2.619249
  H       6.981997     15.232643      2.426445
  H       8.129970     12.533024     12.423100
  H       8.098356     13.793567     13.678463
  H       7.326721     14.062459     12.075888
  H       5.117872     11.657110     15.159993
  H       5.640455     13.349282     15.355823
  H       6.847286     12.073618     15.453877
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 26
  B       3.738265     16.780602      5.262252
  B       6.169466     12.614369     13.376708
  B       5.230029      7.715833      8.741057
  B       4.941717     14.666393      1.865309
  C       6.295869     11.229139      6.299256
  H       7.153306     10.544653      6.178768
  C       6.096205     11.618013      7.770253
  H       6.767817     12.441618      8.064962
  H       6.314152     10.760448      8.423472
  C       4.256190     13.915978      8.016572
  H       3.350676     14.227551      8.566868
  H       5.116841     14.290589      8.601107
  C       4.252727     14.527587      6.614355
  H       3.423117     14.082958      6.037508
  H       5.176877     14.238359      6.083632
  C       4.137448     16.065213      6.628737
  H       5.041247     16.502727      7.092826
  H       3.296611     16.341243      7.308351
  C       4.383894     18.162485      4.876550
  C       2.603264     16.137052      4.362509
  C       4.169741     11.834263      9.968478
  H       3.159279     12.188365     10.240787
  H       4.162160     10.743575     10.126262
  C       5.229988     12.505808     10.858495
  H       6.240085     12.221013     10.511925
  H       5.169309     13.604439     10.755864
  C       5.071795     12.116571     12.337220
  H       5.072943     11.006449     12.429647
  H       4.064673     12.403369     12.706740
  C       7.495641     13.313052     12.879047
  C       5.923615     12.360753     14.912758
  C       5.229295      8.713875      5.076268
  H       4.310823      8.268042      4.653646
  H       5.931236      8.840003      4.231860
  C       5.857769      7.770388      6.106979
  H       6.223249      6.902685      5.528850
  H       6.769023      8.245035      6.514459
  C       4.937105      7.281797      7.243679
  H       5.016092      6.174067      7.311455
  H       3.873022      7.435684      6.988657
  C       6.638194      8.350569      9.114461
  H       7.005944      9.020483      8.310583
  C       6.807453      9.078100     10.462935
  H       6.473596      8.412773     11.282225
  H       6.152257      9.964440     10.503509
  C       8.261919      9.501344     10.721525
  H       8.564128     10.245741      9.956662
  H       8.343403     10.006370     11.701573
  C       9.212519      8.296690     10.661971
  H       8.979163      7.612052     11.500779
  H      10.258906      8.621945     10.801657
  C       9.063331      7.536219      9.336406
  H       9.713392      6.642599      9.330413
  H       9.402023      8.181443      8.501637
  C       7.605262      7.116219      9.079688
  H       7.534261      6.590976      8.110480
  H       7.291037      6.390434      9.854759
  C       4.349119      7.109399      9.927813
  H       5.080885      6.774232     10.696500
  C       3.485349      5.876623      9.573264
  H       4.132452      5.072774      9.175879
  H       2.782319      6.131135      8.758946
  C       2.685411      5.349635     10.774952
  H       2.061502      4.490006     10.470132
  H       3.388756      4.972405     11.543270
  C       1.813774      6.452077     11.394235
  H       1.258210      6.063617     12.266403
  H       1.050755      6.774512     10.656540
  C       2.669958      7.658825     11.803719
  H       3.360666      7.353258     12.613599
  H       2.035343      8.464447     12.219043
  C       3.498456      8.201061     10.627788
  H       4.155898      9.008321     10.991181
  H       2.828605      8.665279      9.880852
  C       4.718379     11.160253      3.829270
  H       5.563185     10.693817      3.288289
  H       3.801440     10.763149      3.357914
  C       4.787935     12.681508      3.676007
  H       5.762710     13.037946      4.054163
  H       4.024287     13.152739      4.313227
  C       4.607486     13.151957      2.224070
  H       3.605648     12.865329      1.845277
  H       5.310390     12.588303      1.565038
  C       5.947402     15.513474      2.743005
  C       4.316130     15.291281      0.561771
  Co      3.103294     10.719648      6.946826
  P       4.327928     12.060489      8.140970
  P       4.760388     10.450893      5.560480
  H       1.784032      7.368135      6.885730
  H       2.209061      9.488208      3.682112
  H       1.796849     13.274916      4.663645
  H       1.076992     11.609171      9.845855
  H       1.253338     13.409871      8.530620
  C       1.312826     11.823327      7.052424
  C       1.533195     11.390561      5.706143
  C       1.604143      9.940261      5.719850
  C       1.409150      9.494483      7.070916
  C       1.632755      9.050129      4.512241
  C       1.431551     12.253156      4.483222
  C       0.977607     13.221430      7.481522
  C       1.256032     10.656061      7.908791
  C       0.840718     10.655055      9.350362
  C       1.200021      8.074576      7.495171
  H       1.322304      9.846296      9.918835
  H       1.465264      7.920642      8.549427
  H       1.983402     11.834779      3.629000
  H       2.053762      8.059601      4.745114
  H       1.460910     13.979566      6.847915
  H      -0.115419     13.369476      7.400635
  H      -0.253476     10.509205      9.422056
  H       0.370667     12.332162      4.178991
  H       0.601712      8.891839      4.144591
  H       0.132147      7.812623      7.374952
  H       6.507317     12.123428      5.690581
  H       3.902792      9.680833      7.733376
  H       3.079261     15.348650      3.741631
  H       2.129481     16.843206      3.659204
  H       1.811478     15.626216      4.942215
  H       4.273237     18.442884      3.814639
  H       5.439709     18.272410      5.182162
  H       3.822226     18.930029      5.456202
  H       3.415583     15.849735      0.903907
  H       3.961509     14.560340     -0.186189
  H       4.959094     16.042903      0.069486
  H       5.933627     15.296498      3.826743
  H       5.865362     16.603304      2.593455
  H       6.965772     15.232205      2.392968
  H       8.126758     12.520914     12.418620
  H       8.099533     13.780187     13.675434
  H       7.327732     14.053056     12.073640
  H       5.112630     11.652330     15.156490
  H       5.641222     13.342567     15.353303
  H       6.843589     12.062631     15.449903
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 27
  B       3.738695     16.783773      5.261065
  B       6.174293     12.606282     13.370669
  B       5.252527      7.707877      8.765990
  B       4.911497     14.665611      1.841176
  C       6.287649     11.251418      6.284620
  H       7.155524     10.584218      6.143469
  C       6.093339     11.610699      7.763305
  H       6.772910     12.421472      8.075056
  H       6.301522     10.737068      8.398821
  C       4.263586     13.918283      8.013798
  H       3.361377     14.232039      8.568474
  H       5.128035     14.290953      8.593906
  C       4.253703     14.530114      6.611341
  H       3.421871     14.085068      6.037932
  H       5.175698     14.241739      6.076387
  C       4.137949     16.067780      6.627287
  H       5.042215     16.504723      7.091029
  H       3.297588     16.342617      7.307866
  C       4.391760     18.161234      4.872082
  C       2.598487     16.144897      4.364803
  C       4.171692     11.830600      9.963156
  H       3.161718     12.183774     10.238371
  H       4.164909     10.739309     10.117678
  C       5.233461     12.499696     10.853145
  H       6.242652     12.210390     10.507769
  H       5.177060     13.598376     10.748553
  C       5.072709     12.114219     12.332582
  H       5.066004     11.004342     12.427311
  H       4.067752     12.408923     12.701761
  C       7.504388     13.296032     12.870985
  C       5.928146     12.356171     14.907238
  C       5.239096      8.724309      5.083299
  H       4.326421      8.262068      4.665720
  H       5.941608      8.846865      4.238779
  C       5.875943      7.806780      6.132811
  H       6.272896      6.941902      5.571723
  H       6.768448      8.309458      6.548278
  C       4.949308      7.308035      7.261224
  H       4.997393      6.197511      7.298099
  H       3.888102      7.498908      7.018769
  C       6.658330      8.339000      9.150255
  H       7.032951      9.012915      8.352928
  C       6.821961      9.059421     10.503014
  H       6.477209      8.393492     11.317330
  H       6.172705      9.950456     10.540894
  C       8.277323      9.471820     10.774042
  H       8.589155     10.219310     10.016191
  H       8.355383      9.969660     11.758028
  C       9.221263      8.261920     10.712788
  H       8.977746      7.572440     11.544728
  H      10.268379      8.580164     10.862756
  C       9.078199      7.512040      9.380494
  H       9.724211      6.615511      9.372292
  H       9.425391      8.161986      8.552969
  C       7.619959      7.100541      9.111044
  H       7.552262      6.584333      8.136540
  H       7.298074      6.369366      9.877864
  C       4.362238      7.096989      9.942137
  H       5.081608      6.759583     10.721084
  C       3.496957      5.869301      9.574597
  H       4.144815      5.062825      9.183772
  H       2.805454      6.129477      8.751976
  C       2.678910      5.345324     10.765344
  H       2.055185      4.488582     10.452148
  H       3.370399      4.964823     11.542740
  C       1.803863      6.451544     11.373159
  H       1.235991      6.065685     12.238524
  H       1.051278      6.776202     10.625820
  C       2.658781      7.655741     11.792876
  H       3.337373      7.348865     12.612410
  H       2.021369      8.464084     12.198551
  C       3.505569      8.193669     10.627887
  H       4.160481      8.999506     10.999181
  H       2.847520      8.658671      9.870573
  C       4.710244     11.162836      3.814749
  H       5.553044     10.694264      3.272532
  H       3.791452     10.764631      3.348081
  C       4.778782     12.684037      3.656899
  H       5.757423     13.041051      4.024256
  H       4.021591     13.156973      4.300833
  C       4.583832     13.151124      2.205758
  H       3.578945     12.862097      1.836971
  H       5.281434     12.587271      1.541334
  C       5.923650     15.516417      2.707666
  C       4.271801     15.286894      0.542755
  Co      3.099498     10.732092      6.936084
  P       4.328206     12.062450      8.136272
  P       4.756355     10.462884      5.549122
  H       1.790058      7.378084      6.866832
  H       2.202337      9.506144      3.669950
  H       1.787621     13.288681      4.660059
  H       1.075508     11.612123      9.839627
  H       1.254602     13.414808      8.529262
  C       1.308312     11.831858      7.047146
  C       1.526512     11.402327      5.699456
  C       1.600710      9.951946      5.710076
  C       1.409892      9.502790      7.060522
  C       1.630998      9.063675      4.501103
  C       1.422510     12.267097      4.478263
  C       0.974970     13.229108      7.480665
  C       1.255809     10.662376      7.901116
  C       0.846868     10.655967      9.344495
  C       1.208669      8.081020      7.482896
  H       1.339493      9.851667      9.909931
  H       1.483116      7.925310      8.534573
  H       1.973727     11.850483      3.622726
  H       2.058661      8.075387      4.731398
  H       1.457154     13.988312      6.847432
  H      -0.118131     13.378608      7.403789
  H      -0.245388     10.498708      9.421177
  H       0.361283     12.346120      4.175249
  H       0.599899      8.899699      4.136150
  H       0.140786      7.815454      7.370947
  H       6.477386     12.160470      5.690771
  H       3.896599      9.697487      7.723964
  H       3.071097     15.357568      3.739928
  H       2.123792     16.853820      3.664881
  H       1.807803     15.634047      4.945897
  H       4.273176     18.445981      3.812240
  H       5.451655     18.260319      5.167385
  H       3.843884     18.932027      5.460518
  H       3.372454     15.842491      0.892651
  H       3.912754     14.553813     -0.201007
  H       4.907456     16.040178      0.043587
  H       5.922790     15.299616      3.791518
  H       5.835971     16.605915      2.558802
  H       6.939029     15.238910      2.346092
  H       8.129505     12.499895     12.409337
  H       8.112586     13.759258     13.666370
  H       7.339849     14.037236     12.065957
  H       5.112068     11.654212     15.152641
  H       5.654055     13.340526     15.347319
  H       6.846500     12.051371     15.443437
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 28
  B       3.740722     16.786965      5.258825
  B       6.180044     12.597438     13.364575
  B       5.273914      7.701314      8.793358
  B       4.878511     14.663948      1.812654
  C       6.278724     11.278091      6.265630
  H       7.157423     10.630452      6.101987
  C       6.092094     11.606400      7.751983
  H       6.778678     12.404982      8.079612
  H       6.293323     10.717173      8.368526
  C       4.271290     13.921099      8.010508
  H       3.371862     14.236403      8.568989
  H       5.138918     14.292377      8.586701
  C       4.255514     14.533189      6.607811
  H       3.421993     14.087373      6.037353
  H       5.175784     14.246130      6.069127
  C       4.138558     16.070847      6.625477
  H       5.042733     16.507441      7.089757
  H       3.297893     16.343938      7.306232
  C       4.404605     18.157814      4.864894
  C       2.594556     16.153864      4.366345
  C       4.176602     11.826305      9.956636
  H       3.167249     12.178570     10.235226
  H       4.170389     10.734326     10.107424
  C       5.240109     12.492335     10.846732
  H       6.248206     12.196873     10.503453
  H       5.189523     13.591036     10.739309
  C       5.074978     12.112036     12.327046
  H       5.058531     11.002552     12.424964
  H       4.072353     12.416473     12.694662
  C       7.515188     13.276627     12.863913
  C       5.931883     12.351580     14.901511
  C       5.251877      8.737172      5.090994
  H       4.347028      8.255984      4.677746
  H       5.956770      8.855923      4.247843
  C       5.895675      7.851037      6.163695
  H       6.330544      6.990412      5.624885
  H       6.763995      8.386658      6.589254
  C       4.960562      7.340793      7.280716
  H       4.970180      6.229254      7.279974
  H       3.904768      7.577116      7.053992
  C       6.676408      8.329230      9.190752
  H       7.057542      9.009994      8.402402
  C       6.833592      9.038081     10.550088
  H       6.478047      8.368828     11.357055
  H       6.189931      9.933307     10.587879
  C       8.289416      9.439249     10.835485
  H       8.610911     10.192572     10.087565
  H       8.363306      9.926425     11.825097
  C       9.227303      8.224850     10.768563
  H       8.973664      7.527646     11.591006
  H      10.274822      8.535943     10.930261
  C       9.091322      7.490171      9.427057
  H       9.733787      6.591162      9.413695
  H       9.446869      8.147799      8.609262
  C       7.633326      7.087423      9.143120
  H       7.569560      6.583492      8.161750
  H       7.304068      6.348276      9.899100
  C       4.374399      7.083011      9.957236
  H       5.081446      6.742400     10.745638
  C       3.508752      5.860522      9.574329
  H       4.157833      5.052798      9.188117
  H       2.828418      6.127564      8.744375
  C       2.673604      5.336509     10.753117
  H       2.050734      4.482834     10.430009
  H       3.353718      4.951676     11.538363
  C       1.794633      6.444554     11.352075
  H       1.215287      6.059097     12.209982
  H       1.051977      6.772244     10.596207
  C       2.647211      7.646169     11.784017
  H       3.314220      7.337084     12.612146
  H       2.006521      8.455840     12.181817
  C       3.511055      8.182741     10.630826
  H       4.162348      8.987595     11.010890
  H       2.863894      8.648712      9.864339
  C       4.699637     11.165664      3.797532
  H       5.539280     10.693873      3.253279
  H       3.778061     10.766884      3.337108
  C       4.768168     12.686702      3.634142
  H       5.751649     13.043490      3.988425
  H       4.019254     13.162398      4.286051
  C       4.556253     13.149978      2.184184
  H       3.547279     12.859742      1.827698
  H       5.246366     12.584698      1.513244
  C       5.899756     15.517427      2.665649
  C       4.222714     15.282169      0.520811
  Co      3.096563     10.745356      6.925067
  P       4.330109     12.064969      8.130411
  P       4.752030     10.476795      5.535525
  H       1.799686      7.388869      6.850083
  H       2.193489      9.524600      3.657589
  H       1.778724     13.302482      4.656480
  H       1.076648     11.615917      9.833964
  H       1.256293     13.420412      8.528012
  C       1.304332     11.840834      7.042248
  C       1.519898     11.414401      5.693162
  C       1.597704      9.963924      5.700884
  C       1.411741      9.511576      7.050814
  C       1.629446      9.077032      4.490898
  C       1.412890     12.281320      4.473755
  C       0.972499     13.237163      7.480063
  C       1.256886     10.669283      7.894020
  C       0.855032     10.657837      9.339361
  C       1.218908      8.087900      7.471240
  H       1.358596      9.857989      9.901581
  H       1.500407      7.931026      8.520929
  H       1.962308     11.866029      3.616386
  H       2.066156      8.092028      4.718381
  H       1.453011     13.997533      6.846909
  H      -0.120753     13.387640      7.407554
  H      -0.235173     10.489642      9.421546
  H       0.351078     12.361082      4.173020
  H       0.598084      8.905056      4.130444
  H       0.151594      7.817625      7.365293
  H       6.443913     12.201934      5.687476
  H       3.891702      9.715975      7.715085
  H       3.063109     15.367504      3.737133
  H       2.119468     16.866085      3.670013
  H       1.804669     15.643464      4.948795
  H       4.277988     18.446767      3.807184
  H       5.468958     18.242914      5.148654
  H       3.873784     18.933626      5.462246
  H       3.326431     15.836580      0.880356
  H       3.856359     14.547303     -0.217622
  H       4.851087     16.035866      0.013135
  H       5.913290     15.301423      3.749568
  H       5.807870     16.606641      2.517142
  H       6.910961     15.241876      2.291074
  H       8.133705     12.475791     12.401597
  H       8.127539     13.735299     13.658742
  H       7.355484     14.019131     12.059078
  H       5.109557     11.657354     15.148032
  H       5.667244     13.338867     15.340762
  H       6.847665     12.038839     15.437576
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 29
  B       3.744413     16.789820      5.255057
  B       6.186778     12.587393     13.358730
  B       5.293502      7.695241      8.822138
  B       4.845940     14.661056      1.780859
  C       6.269026     11.307743      6.243273
  H       7.157884     10.680309      6.057105
  C       6.091994     11.606112      7.736659
  H       6.784290     12.394078      8.077856
  H       6.289443     10.702830      8.334472
  C       4.278276     13.924616      8.007169
  H       3.381338     14.240840      8.569248
  H       5.148735     14.295105      8.579552
  C       4.256542     14.536774      6.604160
  H       3.421247     14.090139      6.036811
  H       5.174997     14.250863      6.061657
  C       4.138460     16.074432      6.623280
  H       5.042034     16.510599      7.089162
  H       3.296575     16.345886      7.302985
  C       4.422107     18.152041      4.854887
  C       2.591936     16.163441      4.366285
  C       4.184132     11.821550      9.949276
  H       3.175881     12.173712     10.231956
  H       4.177451     10.728796     10.095860
  C       5.250286     12.483095     10.839404
  H       6.256775     12.178500     10.499440
  H       5.208345     13.581748     10.727698
  C       5.078296     12.110423     12.320926
  H       5.048428     11.001669     12.423497
  H       4.078666     12.428178     12.685461
  C       7.528722     13.253060     12.858192
  C       5.934595     12.346899     14.895882
  C       5.265969      8.751901      5.099746
  H       4.370420      8.250107      4.690713
  H       5.974483      8.866436      4.258980
  C       5.915160      7.901488      6.198582
  H       6.392267      7.047097      5.686451
  H       6.754536      8.473239      6.635154
  C       4.970530      7.378266      7.301776
  H       4.936322      6.268795      7.257677
  H       3.923011      7.665797      7.094737
  C       6.691320      8.321675      9.234558
  H       7.077228      9.012822      8.457688
  C       6.840503      9.014355     10.602808
  H       6.476491      8.337900     11.399986
  H       6.199880      9.911654     10.644159
  C       8.295612      9.407165     10.903401
  H       8.624477     10.169588     10.168031
  H       8.364188      9.880448     11.900086
  C       9.230724      8.191131     10.826379
  H       8.969176      7.483058     11.636993
  H      10.277776      8.497153     11.000320
  C       9.103328      7.475696      9.473640
  H       9.744536      6.575950      9.452045
  H       9.465313      8.144343      8.667739
  C       7.646607      7.079168      9.174400
  H       7.587909      6.590377      8.184937
  H       7.312009      6.329181      9.917273
  C       4.385381      7.066376      9.972287
  H       5.080603      6.721788     10.769078
  C       3.520836      5.848956      9.571969
  H       4.171755      5.041667      9.187958
  H       2.850696      6.123955      8.736102
  C       2.670455      5.321348     10.738200
  H       2.049409      4.470647     10.403933
  H       3.340305      4.931400     11.529710
  C       1.786723      6.428810     11.331407
  H       1.197337      6.041217     12.181480
  H       1.052944      6.760075     10.568492
  C       2.635513      7.628155     11.777194
  H       3.292041      7.316168     12.612542
  H       1.990819      8.437451     12.169253
  C       3.514397      8.166800     10.636222
  H       4.160735      8.971375     11.025623
  H       2.876587      8.633666      9.862072
  C       4.686596     11.168324      3.778491
  H       5.521403     10.691382      3.231386
  H       3.760863     10.770433      3.326000
  C       4.757736     12.688999      3.608596
  H       5.747367     13.043588      3.947486
  H       4.019549     13.169329      4.269707
  C       4.526857     13.148356      2.160335
  H       3.512649     12.858909      1.818358
  H       5.206900     12.580003      1.481824
  C       5.878894     15.515533      2.618528
  C       4.173693     15.276980      0.496394
  Co      3.093823     10.759571      6.914276
  P       4.332989     12.068298      8.123716
  P       4.746941     10.492122      5.520501
  H       1.812643      7.401005      6.836372
  H       2.180296      9.544399      3.645119
  H       1.770409     13.316822      4.653806
  H       1.080041     11.620783      9.829553
  H       1.257879     13.426971      8.527726
  C       1.300448     11.850695      7.038421
  C       1.512837     11.427274      5.687912
  C       1.594229      9.976684      5.692781
  C       1.413797      9.521245      7.042265
  C       1.626604      9.090832      4.482008
  C       1.402576     12.296489      4.470434
  C       0.969992     13.246076      7.480447
  C       1.258629     10.677148      7.888087
  C       0.864891     10.660880      9.335629
  C       1.229562      8.095587      7.460438
  H       1.379606      9.865523      9.894241
  H       1.514760      7.938146      8.509093
  H       1.949016     11.881992      3.610760
  H       2.075008      8.110238      4.705945
  H       1.448696     14.007661      6.847321
  H      -0.123420     13.397328      7.412279
  H      -0.223095     10.481998      9.424099
  H       0.340017     12.378127      4.172905
  H       0.594625      8.908423      4.128558
  H       0.163530      7.819378      7.356950
  H       6.408879     12.245111      5.680488
  H       3.887479      9.736152      7.707066
  H       3.055888     15.377768      3.732735
  H       2.117272     16.879368      3.673424
  H       1.802290     15.654149      4.949909
  H       4.288369     18.444714      3.799148
  H       5.490796     18.220621      5.127012
  H       3.910572     18.934424      5.460377
  H       3.282595     15.832824      0.866489
  H       3.797176     14.540829     -0.235626
  H       4.795887     16.029154     -0.021056
  H       5.907089     15.301405      3.702530
  H       5.785428     16.604546      2.469446
  H       6.884781     15.238943      2.230598
  H       8.139547     12.446125     12.396361
  H       8.145187     13.706438     13.652874
  H       7.376165     13.996636     12.052927
  H       5.104230     11.662514     15.142960
  H       5.681519     13.337733     15.333891
  H       6.846478     12.024105     15.432686
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 30
  B       3.747519     16.793356      5.249792
  B       6.202300     12.577445     13.350292
  B       5.310465      7.689901      8.854547
  B       4.807832     14.655938      1.743614
  C       6.260416     11.343289      6.220841
  H       7.159302     10.737309      6.012751
  C       6.093518     11.612833      7.720519
  H       6.789270     12.392685      8.073301
  H       6.290477     10.697536      8.300937
  C       4.282989     13.930806      8.004719
  H       3.387529     14.246663      8.569417
  H       5.155156     14.301924      8.574032
  C       4.255835     14.542736      6.601189
  H       3.420082     14.093883      6.036112
  H       5.173488     14.259342      6.055856
  C       4.134134     16.080273      6.621491
  H       5.035326     16.517220      7.091278
  H       3.288806     16.348628      7.297849
  C       4.442674     18.144313      4.841708
  C       2.589696     16.174038      4.363396
  C       4.194293     11.818387      9.942548
  H       3.188733     12.173626     10.230996
  H       4.184058     10.724803     10.084683
  C       5.266865     12.471870     10.830760
  H       6.269635     12.151005     10.494854
  H       5.240263     13.570215     10.711343
  C       5.086424     12.112956     12.314696
  H       5.034421     11.005899     12.425700
  H       4.092876     12.453026     12.675838
  C       7.552898     13.222966     12.846758
  C       5.947838     12.345564     14.888411
  C       5.286318      8.770931      5.112850
  H       4.402511      8.246208      4.707006
  H       6.000588      8.881353      4.276344
  C       5.938247      7.960954      6.241139
  H       6.463000      7.116398      5.760321
  H       6.741941      8.572338      6.690945
  C       4.982508      7.421133      7.326157
  H       4.904638      6.317498      7.234318
  H       3.945832      7.759875      7.140182
  C       6.701372      8.316067      9.287753
  H       7.089518      9.025596      8.528837
  C       6.839727      8.980296     10.671040
  H       6.470672      8.287412     11.451656
  H       6.197918      9.876118     10.725619
  C       8.292303      9.368031     10.990298
  H       8.625308     10.147228     10.274623
  H       8.353341      9.818643     11.997883
  C       9.230012      8.155416     10.892552
  H       8.964018      7.428798     11.685115
  H      10.275243      8.459171     11.080860
  C       9.113773      7.470346      9.523189
  H       9.757282      6.572762      9.485725
  H       9.479334      8.157851      8.734991
  C       7.659920      7.077316      9.205565
  H       7.608460      6.610944      8.204879
  H       7.322746      6.309959      9.929356
  C       4.392257      7.045528      9.986541
  H       5.074632      6.694867     10.791416
  C       3.530921      5.833769      9.563665
  H       4.185035      5.028892      9.180057
  H       2.871819      6.118743      8.722179
  C       2.664656      5.297976     10.714377
  H       2.046806      4.450825     10.365482
  H       3.323663      4.900910     11.511420
  C       1.774453      6.402037     11.304463
  H       1.174603      6.008936     12.144633
  H       1.050122      6.738632     10.534911
  C       2.617445      7.598517     11.768932
  H       3.262840      7.281608     12.611035
  H       1.967435      8.405435     12.157086
  C       3.511799      8.143812     10.643069
  H       4.151411      8.948031     11.044581
  H       2.883576      8.612809      9.862048
  C       4.674698     11.171636      3.759511
  H       5.503965     10.688520      3.209512
  H       3.744350     10.774363      3.316424
  C       4.748526     12.691712      3.580771
  H       5.745204     13.044061      3.900736
  H       4.023323     13.177958      4.252340
  C       4.494377     13.144943      2.134499
  H       3.474467     12.854937      1.810440
  H       5.162797     12.572995      1.447573
  C       5.854100     15.513635      2.561058
  C       4.114741     15.266818      0.467817
  Co      3.092836     10.775734      6.903902
  P       4.336628     12.074317      8.117512
  P       4.744208     10.510664      5.506237
  H       1.831784      7.415336      6.822676
  H       2.164590      9.568552      3.630362
  H       1.764481     13.333177      4.651679
  H       1.086642     11.625428      9.825469
  H       1.258293     13.434232      8.527956
  C       1.297647     11.861740      7.034663
  C       1.507474     11.441947      5.682665
  C       1.593016      9.991322      5.684162
  C       1.417966      9.532221      7.032935
  C       1.626116      9.106663      4.472483
  C       1.394030     12.313942      4.467484
  C       0.967237     13.255768      7.481106
  C       1.261841     10.685923      7.881806
  C       0.876158     10.664530      9.331461
  C       1.242772      8.104227      7.447543
  H       1.400536      9.872415      9.885804
  H       1.527658      7.946234      8.496223
  H       1.937033     11.900239      3.605242
  H       2.091044      8.132554      4.691236
  H       1.443839     14.019184      6.848530
  H      -0.126414     13.406842      7.416577
  H      -0.209814     10.476906      9.426060
  H       0.330704     12.398116      4.173477
  H       0.593406      8.909336      4.129368
  H       0.178917      7.820521      7.342027
  H       6.373860     12.293024      5.673182
  H       3.885036      9.758579      7.700282
  H       3.049922     15.389107      3.726109
  H       2.116932     16.893827      3.673173
  H       1.799159     15.666124      4.946856
  H       4.303326     18.439834      3.787569
  H       5.515332     18.193695      5.102660
  H       3.952580     18.935061      5.453970
  H       3.229371     15.823546      0.850169
  H       3.726888     14.527806     -0.255364
  H       4.728104     16.017392     -0.062330
  H       5.901306     15.302798      3.645014
  H       5.757109     16.602146      2.410416
  H       6.853309     15.236831      2.156328
  H       8.151540     12.406844     12.385280
  H       8.176781     13.669253     13.639656
  H       7.409286     13.967251     12.040462
  H       5.106035     11.676442     15.138521
  H       5.713776     13.341604     15.325057
  H       6.854911     12.007465     15.424043
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 31
  B       3.750318     16.798339      5.245218
  B       6.210557     12.567244     13.343472
  B       5.326514      7.681630      8.882174
  B       4.779708     14.650641      1.716148
  C       6.252576     11.369095      6.202821
  H       7.158055     10.778412      5.979535
  C       6.093338     11.619032      7.706487
  H       6.791656     12.393186      8.066772
  H       6.290159     10.695783      8.274998
  C       4.285747     13.937215      8.001890
  H       3.391350     14.252554      8.568615
  H       5.159165     14.308492      8.569141
  C       4.254563     14.549481      6.598175
  H       3.418549     14.099081      6.034588
  H       5.171660     14.268182      6.050707
  C       4.130027     16.086910      6.619837
  H       5.029094     16.524317      7.093289
  H       3.281665     16.352627      7.293179
  C       4.459649     18.140200      4.831710
  C       2.589024     16.184689      4.359709
  C       4.200430     11.816273      9.935171
  H       3.197384     12.174866     10.228244
  H       4.186174     10.722013     10.073142
  C       5.278496     12.461577     10.822600
  H       6.277899     12.126817     10.490305
  H       5.265426     13.559572     10.697627
  C       5.090201     12.113086     12.308076
  H       5.020006     11.007741     12.425209
  H       4.101590     12.471035     12.665648
  C       7.567946     13.198191     12.839920
  C       5.953031     12.340183     14.881835
  C       5.298524      8.783853      5.125835
  H       4.423001      8.241610      4.725122
  H       6.016207      8.888757      4.291518
  C       5.952690      8.006724      6.276728
  H       6.513086      7.171180      5.820986
  H       6.727702      8.648384      6.734534
  C       4.991146      7.453827      7.349051
  H       4.876349      6.358007      7.217416
  H       3.964636      7.834563      7.185733
  C       6.711575      8.309470      9.329630
  H       7.098612      9.033942      8.584342
  C       6.842003      8.951778     10.723951
  H       6.471150      8.245919     11.492006
  H       6.197823      9.845271     10.789247
  C       8.292254      9.337869     11.055804
  H       8.626186     10.130047     10.354968
  H       8.347846      9.771266     12.071205
  C       9.233996      8.129797     10.941323
  H       8.966735      7.388757     11.719994
  H      10.277448      8.433360     11.139574
  C       9.126089      7.468148      9.559805
  H       9.772868      6.573542      9.509544
  H       9.492360      8.170500      8.785161
  C       7.674816      7.075718      9.229584
  H       7.628655      6.626537      8.220753
  H       7.337837      6.294771      9.938860
  C       4.401082      7.025534     10.000254
  H       5.072673      6.670103     10.811777
  C       3.540935      5.819289      9.560329
  H       4.196399      5.015222      9.177363
  H       2.890871      6.112754      8.714524
  C       2.661486      5.278953     10.698860
  H       2.045410      4.435098     10.339007
  H       3.311267      4.876130     11.500563
  C       1.767316      6.381833     11.285318
  H       1.158679      5.985846     12.117781
  H       1.051081      6.722814     10.510158
  C       2.606809      7.575445     11.763558
  H       3.242858      7.254706     12.611267
  H       1.953501      8.381621     12.147682
  C       3.514025      8.123856     10.649406
  H       4.148851      8.927620     11.059621
  H       2.893859      8.594160      9.862402
  C       4.665392     11.171757      3.744125
  H       5.490642     10.683544      3.192649
  H       3.731651     10.775177      3.307917
  C       4.741713     12.691365      3.558792
  H       5.743549     13.041499      3.864713
  H       4.026477     13.182149      4.238152
  C       4.470561     13.140661      2.114430
  H       3.446602     12.850632      1.803413
  H       5.130211     12.566237      1.421192
  C       5.834312     15.510745      2.520135
  C       4.072447     15.258055      0.446472
  Co      3.089894     10.790862      6.893552
  P       4.338034     12.080540      8.110732
  P       4.740548     10.524088      5.494870
  H       1.846850      7.429242      6.807925
  H       2.145291      9.592372      3.615395
  H       1.757568     13.349043      4.649797
  H       1.091133     11.629284      9.821628
  H       1.257144     13.441104      8.528119
  C       1.293437     11.872363      7.030884
  C       1.500659     11.456081      5.677351
  C       1.589544     10.005494      5.675494
  C       1.420016      9.542839      7.023654
  C       1.622284      9.122374      4.462647
  C       1.385113     12.330771      4.464319
  C       0.963367     13.265145      7.481577
  C       1.263057     10.694351      7.875510
  C       0.885281     10.667616      9.327175
  C       1.254271      8.112723      7.435381
  H       1.419020      9.878548      9.877077
  H       1.542117      7.954170      8.483219
  H       1.926055     11.918097      3.600259
  H       2.102870      8.154509      4.675437
  H       1.438374     14.030220      6.849741
  H      -0.130442     13.416315      7.420169
  H      -0.198617     10.471377      9.427614
  H       0.321386     12.417047      4.172427
  H       0.588841      8.911063      4.130279
  H       0.192158      7.822099      7.331246
  H       6.347300     12.326812      5.665730
  H       3.880067      9.778941      7.692595
  H       3.046458     15.398800      3.721504
  H       2.119602     16.906991      3.669790
  H       1.796346     15.679606      4.942611
  H       4.317104     18.438245      3.778775
  H       5.534857     18.174167      5.084967
  H       3.986130     18.937217      5.448818
  H       3.190732     15.814858      0.837090
  H       3.677464     14.517042     -0.270792
  H       4.679377     16.007924     -0.091999
  H       5.894231     15.301885      3.603823
  H       5.734538     16.598908      2.368695
  H       6.829017     15.234212      2.104234
  H       8.159140     12.374607     12.382184
  H       8.194985     13.640860     13.632363
  H       7.432909     13.941194     12.030978
  H       5.102967     11.681869     15.132661
  H       5.732225     13.339312     15.318219
  H       6.855953     11.990635     15.417205
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 32
  B       3.753294     16.804465      5.241204
  B       6.206056     12.556549     13.340066
  B       5.341666      7.670510      8.904792
  B       4.767454     14.646991      1.699666
  C       6.246505     11.384495      6.192425
  H       7.155715     10.802472      5.961482
  C       6.090086     11.623240      7.698024
  H       6.790132     12.393388      8.063554
  H       6.285353     10.695236      8.259856
  C       4.285699     13.943517      7.998964
  H       3.392017     14.258821      8.566892
  H       5.160026     14.314175      8.565203
  C       4.252437     14.556278      6.595226
  H       3.416031     14.105433      6.032471
  H       5.169057     14.275787      6.046461
  C       4.127026     16.093700      6.617900
  H       5.024624     16.530822      7.094416
  H       3.276400     16.358194      7.288699
  C       4.471609     18.140900      4.825729
  C       2.590892     16.194515      4.354754
  C       4.198595     11.815506      9.927932
  H       3.197371     12.177309     10.223301
  H       4.180251     10.720728     10.062225
  C       5.279986     12.453276     10.816697
  H       6.277075     12.108693     10.487597
  H       5.277097     13.551084     10.689236
  C       5.084498     12.110230     12.302531
  H       5.001991     11.006091     12.422422
  H       4.098830     12.479675     12.656673
  C       7.568366     13.179115     12.839557
  C       5.944386     12.330243     14.877881
  C       5.303706      8.790644      5.137813
  H       4.432629      8.237239      4.742763
  H       6.022929      8.889123      4.304035
  C       5.959395      8.036332      6.303942
  H       6.541402      7.206286      5.865463
  H       6.716165      8.697181      6.764823
  C       4.995617      7.476733      7.369724
  H       4.845890      6.389882      7.206412
  H       3.979491      7.894823      7.230167
  C       6.722558      8.301174      9.359586
  H       7.106018      9.035967      8.622444
  C       6.848170      8.930097     10.760451
  H       6.477938      8.215825     11.521000
  H       6.201164      9.821124     10.832628
  C       8.296638      9.317452     11.098767
  H       8.629035     10.118150     10.406956
  H       8.349141      9.740139     12.118825
  C       9.242886      8.113996     10.972926
  H       8.976849      7.363508     11.742924
  H      10.284848      8.419140     11.176542
  C       9.140137      7.467092      9.584031
  H       9.790568      6.575668      9.525122
  H       9.504799      8.179397      8.817770
  C       7.690875      7.072640      9.247276
  H       7.647703      6.634314      8.233474
  H       7.356174      6.282620      9.947602
  C       4.411375      7.007435     10.013685
  H       5.074311      6.649175     10.830798
  C       3.550544      5.805952      9.562734
  H       4.205678      5.001068      9.180962
  H       2.907404      6.105912      8.713685
  C       2.660645      5.265000     10.692826
  H       2.045011      4.423833     10.325993
  H       3.302926      4.858340     11.498610
  C       1.764753      6.368999     11.274658
  H       1.149018      5.972981     12.101871
  H       1.055181      6.712854     10.494655
  C       2.602875      7.560286     11.761193
  H       3.231531      7.237471     12.613584
  H       1.948060      8.367365     12.140808
  C       3.520177      8.107979     10.654857
  H       4.151896      8.911831     11.069856
  H       2.906235      8.577930      9.862417
  C       4.662507     11.170373      3.733309
  H       5.486515     10.678994      3.182811
  H       3.727545     10.774069      3.299666
  C       4.740379     12.689779      3.544347
  H       5.744758     13.038588      3.843303
  H       4.030191     13.182943      4.227615
  C       4.460920     13.137285      2.101056
  H       3.435155     12.846997      1.796275
  H       5.116529     12.561991      1.404761
  C       5.825371     15.508527      2.497702
  C       4.053343     15.252858      0.433089
  Co      3.084936     10.804390      6.882829
  P       4.335549     12.086656      8.104231
  P       4.737440     10.532604      5.487071
  H       1.858618      7.441482      6.789946
  H       2.129900      9.614552      3.599453
  H       1.751120     13.363888      4.646587
  H       1.090338     11.630433      9.815408
  H       1.252561     13.446068      8.526145
  C       1.287267     11.881398      7.024704
  C       1.493655     11.468835      5.669780
  C       1.585425     10.018340      5.664387
  C       1.419880      9.551866      7.011685
  C       1.618636      9.137538      4.449852
  C       1.378087     12.346267      4.458732
  C       0.957372     13.272919      7.479501
  C       1.261042     10.701038      7.866502
  C       0.889355     10.668424      9.319645
  C       1.263637      8.119736      7.420795
  H       1.431360      9.881907      9.865315
  H       1.556007      7.960621      8.467403
  H       1.919587     11.935273      3.594167
  H       2.111114      8.174436      4.657191
  H       1.431857     14.039600      6.849151
  H      -0.136466     13.424504      7.419815
  H      -0.192593     10.463952      9.424374
  H       0.314609     12.433672      4.166303
  H       0.584981      8.915698      4.125139
  H       0.203060      7.822552      7.319669
  H       6.331204     12.346593      5.661614
  H       3.871698      9.797543      7.685041
  H       3.046744     15.406538      3.717941
  H       2.125457     16.917932      3.663292
  H       1.795377     15.692876      4.936726
  H       4.329282     18.440196      3.773152
  H       5.547672     18.166012      5.076634
  H       4.006464     18.941575      5.444443
  H       3.173027     15.809031      0.827763
  H       3.655498     14.510970     -0.281691
  H       4.656824     16.002957     -0.108918
  H       5.891230     15.300356      3.581167
  H       5.723747     16.596514      2.346164
  H       6.818109     15.232748      2.076610
  H       8.156090     12.351107     12.385369
  H       8.195542     13.619415     13.633220
  H       7.440322     13.921395     12.028845
  H       5.088830     11.678408     15.126933
  H       5.731460     13.330514     15.315470
  H       6.843868     11.972556     15.413727
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 33
  B       3.756058     16.810895      5.236078
  B       6.201928     12.544471     13.336194
  B       5.355637      7.658697      8.926180
  B       4.757942     14.643293      1.687012
  C       6.240762     11.395239      6.185772
  H       7.152312     10.818652      5.950302
  C       6.085242     11.626548      7.692460
  H       6.787084     12.393069      8.062176
  H       6.277794     10.695094      8.250017
  C       4.285170     13.950663      7.995577
  H       3.391957     14.266668      8.563924
  H       5.160212     14.320261      8.561405
  C       4.251300     14.563300      6.591571
  H       3.414507     14.112412      6.029348
  H       5.167547     14.282506      6.042278
  C       4.126311     16.100778      6.614112
  H       5.023345     16.537502      7.092066
  H       3.274629     16.365475      7.283423
  C       4.479606     18.144098      4.819334
  C       2.592686     16.203193      4.349428
  C       4.193805     11.816986      9.921372
  H       3.195149     12.184197     10.218767
  H       4.169177     10.721858     10.052481
  C       5.279807     12.445399     10.811137
  H       6.273871     12.090279     10.484228
  H       5.288087     13.543015     10.681998
  C       5.078273     12.106799     12.297180
  H       4.983553     11.003909     12.418930
  H       4.096006     12.487494     12.648999
  C       7.568936     13.158241     12.837780
  C       5.936934     12.318985     14.873575
  C       5.304150      8.794890      5.150295
  H       4.435379      8.233508      4.761535
  H       6.023796      8.886038      4.316056
  C       5.961354      8.058474      6.327957
  H       6.557667      7.231744      5.902516
  H       6.705680      8.732929      6.789258
  C       4.997136      7.495891      7.390729
  H       4.814289      6.418759      7.201218
  H       3.991772      7.947616      7.274825
  C       6.733997      8.291230      9.384861
  H       7.112238      9.035481      8.654313
  C       6.857889      8.908013     10.791360
  H       6.490242      8.185873     11.545716
  H       6.207952      9.796373     10.871467
  C       8.305256      9.297209     11.132474
  H       8.634333     10.105627     10.448112
  H       8.356950      9.710302     12.156482
  C       9.255915      8.098537     10.994512
  H       8.993051      7.339539     11.757229
  H      10.296802      8.405618     11.200727
  C       9.155147      7.464865      9.599373
  H       9.809172      6.576725      9.531388
  H       9.516388      8.186194      8.839966
  C       7.707192      7.068047      9.259721
  H       7.664813      6.639445      8.241663
  H       7.376244      6.269853      9.952608
  C       4.421460      6.991131     10.028213
  H       5.076856      6.630352     10.850040
  C       3.558397      5.794486      9.569113
  H       4.211959      4.987897      9.188281
  H       2.920904      6.100373      8.717708
  C       2.659727      5.254786     10.692847
  H       2.043414      4.416310     10.321030
  H       3.295604      4.844759     11.501983
  C       1.763920      6.361158     11.270383
  H       1.142156      5.966466     12.093713
  H       1.060070      6.707651     10.486366
  C       2.602391      7.549916     11.762592
  H       3.224865      7.225343     12.618813
  H       1.947398      8.358772     12.138069
  C       3.528118      8.095094     10.661948
  H       4.158134      8.898855     11.079861
  H       2.919359      8.564416      9.864815
  C       4.661709     11.168284      3.725039
  H       5.486172     10.674986      3.176940
  H       3.726870     10.771242      3.291904
  C       4.739656     12.687601      3.533191
  H       5.745354     13.036302      3.827756
  H       4.032282     13.181960      4.218805
  C       4.454710     13.133468      2.090493
  H       3.428094     12.842052      1.789631
  H       5.108295     12.558070      1.392426
  C       5.817245     15.507123      2.480704
  C       4.039029     15.247096      0.422149
  Co      3.078575     10.818035      6.872634
  P       4.331363     12.093658      8.098289
  P       4.733737     10.539328      5.481570
  H       1.867862      7.454373      6.774319
  H       2.116259      9.635101      3.585277
  H       1.743791     13.378490      4.642377
  H       1.087636     11.633744      9.808844
  H       1.247342     13.452684      8.522851
  C       1.280014     11.891351      7.017993
  C       1.485815     11.481752      5.661951
  C       1.579966     10.031352      5.653773
  C       1.417835      9.561785      7.000426
  C       1.613625      9.152682      4.437703
  C       1.371058     12.361176      4.452265
  C       0.950687     13.281915      7.476202
  C       1.257215     10.709074      7.857546
  C       0.891133     10.671373      9.312024
  C       1.270748      8.128060      7.408032
  H       1.440669      9.887347      9.853950
  H       1.567769      7.969241      8.453510
  H       1.914379     11.951720      3.588047
  H       2.114728      8.193063      4.640641
  H       1.424877     14.049742      6.846965
  H      -0.143132     13.434191      7.418165
  H      -0.188953     10.459362      9.420695
  H       0.308101     12.448861      4.158050
  H       0.579938      8.923246      4.118460
  H       0.211666      7.824522      7.310311
  H       6.319430     12.360184      5.659276
  H       3.861575      9.815381      7.676923
  H       3.046805     15.412319      3.714960
  H       2.130643     16.926704      3.655799
  H       1.794745     15.705519      4.931482
  H       4.337733     18.443801      3.766827
  H       5.556028     18.164362      5.069276
  H       4.018912     18.946973      5.438520
  H       3.158617     15.801504      0.819110
  H       3.640743     14.504048     -0.291186
  H       4.639331     15.998260     -0.121903
  H       5.888861     15.298668      3.563726
  H       5.711869     16.594904      2.330097
  H       6.808704     15.234478      2.054574
  H       8.152153     12.326142     12.385305
  H       8.197468     13.595002     13.632328
  H       7.447159     13.900779     12.026348
  H       5.076299     11.673354     15.121274
  H       5.731298     13.320414     15.311962
  H       6.833213     11.953955     15.409859
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 34
  B       3.753085     16.817724      5.231321
  B       6.196809     12.530142     13.332192
  B       5.370966      7.648576      8.947308
  B       4.749208     14.639202      1.673920
  C       6.234699     11.407554      6.180528
  H       7.148711     10.836126      5.941902
  C       6.079074     11.633193      7.687914
  H       6.781397     12.397595      8.061101
  H       6.270125     10.699372      8.242520
  C       4.280503     13.959154      7.992855
  H       3.387040     14.274659      8.561137
  H       5.155451     14.328752      8.558823
  C       4.245992     14.571958      6.588691
  H       3.409958     14.119735      6.026320
  H       5.162769     14.292603      6.039464
  C       4.118542     16.109333      6.611602
  H       5.013691     16.546968      7.092265
  H       3.264429     16.372132      7.278397
  C       4.483807     18.146084      4.811707
  C       2.589478     16.211830      4.343894
  C       4.186710     11.819524      9.914988
  H       3.190792     12.192409     10.214524
  H       4.155485     10.724089     10.042744
  C       5.277635     12.437774     10.805795
  H       6.268286     12.071616     10.480860
  H       5.297733     13.535117     10.675318
  C       5.070132     12.103253     12.291914
  H       4.961884     11.001795     12.414978
  H       4.091992     12.496185     12.641913
  C       7.569444     13.132596     12.835609
  C       5.928497     12.305782     14.869181
  C       5.305397      8.800321      5.163558
  H       4.439040      8.231132      4.780854
  H       6.025382      8.884695      4.328907
  C       5.964243      8.080712      6.351659
  H       6.572835      7.256806      5.938142
  H       6.697567      8.767242      6.812646
  C       5.000178      7.516101      7.412290
  H       4.782417      6.450770      7.197049
  H       4.007396      8.002149      7.321794
  C       6.746954      8.283210      9.409273
  H       7.119118      9.037591      8.685807
  C       6.870885      8.885914     10.821954
  H       6.507224      8.154709     11.569487
  H       6.217798      9.771121     10.912422
  C       8.317489      9.276992     11.164372
  H       8.642109     10.093793     10.487899
  H       8.369626      9.679468     12.192563
  C       9.272666      8.083655     11.011927
  H       9.014265      7.315465     11.766927
  H      10.312671      8.392753     11.219609
  C       9.172016      7.464538      9.610254
  H       9.829517      6.579851      9.531565
  H       9.528836      8.195471      8.857964
  C       7.724948      7.065654      9.269118
  H       7.682169      6.647596      8.246653
  H       7.398631      6.258825      9.954248
  C       4.433896      6.976012     10.043008
  H       5.082752      6.613091     10.868828
  C       3.568946      5.783675      9.576771
  H       4.221036      4.975847      9.196081
  H       2.935842      6.094971      8.723860
  C       2.663338      5.244663     10.695262
  H       2.046381      4.408557     10.319198
  H       3.294096      4.831588     11.506836
  C       1.767751      6.352825     11.269822
  H       1.141290      5.958995     12.089999
  H       1.068421      6.701643     10.482781
  C       2.606484      7.539512     11.766724
  H       3.224234      7.213446     12.625765
  H       1.951414      8.349699     12.139140
  C       3.538562      8.082808     10.670462
  H       4.166906      8.887026     11.090206
  H       2.933349      8.550890      9.869553
  C       4.661334     11.166783      3.717854
  H       5.486870     10.672195      3.172540
  H       3.727121     10.768120      3.284976
  C       4.738320     12.686017      3.522768
  H       5.744688     13.035491      3.814074
  H       4.032512     13.181286      4.209630
  C       4.449360     13.129416      2.080124
  H       3.422463     12.836092      1.782070
  H       5.102143     12.553976      1.381367
  C       5.808469     15.505969      2.464442
  C       4.025729     15.240427      0.410429
  Co      3.071582     10.832230      6.862596
  P       4.325145     12.102037      8.092608
  P       4.730290     10.546863      5.477173
  H       1.881485      7.467048      6.760658
  H       2.102343      9.654650      3.570752
  H       1.734855     13.391511      4.636841
  H       1.083986     11.636471      9.801650
  H       1.237782     13.458683      8.518088
  C       1.271263     11.900241      7.010359
  C       1.477361     11.493292      5.653399
  C       1.575157     10.043091      5.642985
  C       1.416410      9.570793      6.989094
  C       1.610421      9.166004      4.425810
  C       1.362953     12.374259      4.444801
  C       0.940954     13.289736      7.471167
  C       1.252635     10.716362      7.848057
  C       0.891831     10.673800      9.303749
  C       1.279838      8.135504      7.395597
  H       1.448568      9.892195      9.842077
  H       1.579542      7.977982      8.440665
  H       1.908337     11.966364      3.581083
  H       2.122645      8.211299      4.624278
  H       1.414931     14.058882      6.843319
  H      -0.152902     13.441821      7.413513
  H      -0.186407     10.454512      9.416065
  H       0.300480     12.461579      4.148753
  H       0.577109      8.926225      4.113066
  H       0.222985      7.823931      7.299171
  H       6.307754     12.374681      5.657275
  H       3.850672      9.834711      7.670836
  H       3.043623     15.420508      3.709928
  H       2.129769     16.936029      3.649404
  H       1.789896     15.715429      4.924702
  H       4.342066     18.445922      3.759248
  H       5.560843     18.159440      5.059682
  H       4.029936     18.952304      5.431568
  H       3.145385     15.793597      0.809287
  H       3.626860     14.495965     -0.301106
  H       4.623128     15.992195     -0.135981
  H       5.882549     15.298876      3.547559
  H       5.700811     16.593389      2.312818
  H       6.799588     15.234610      2.036703
  H       8.146658     12.295019     12.385540
  H       8.200016     13.565116     13.630865
  H       7.455423     13.875011     12.022965
  H       5.061742     11.667916     15.115650
  H       5.732157     13.308566     15.308675
  H       6.821001     11.931652     15.405520
>
133
Coordinates from ORCA-job cop2bcy2me6h-scan3-tpssd3bj-def2 Relaxed Surface Scan Step 35
  B       3.751864     16.824987      5.225473
  B       6.191134     12.515266     13.327985
  B       5.385385      7.637824      8.967549
  B       4.742625     14.635250      1.662922
  C       6.228590     11.417634      6.177874
  H       7.144446     10.849689      5.937884
  C       6.071485     11.639396      7.685556
  H       6.774298     12.401794      8.061910
  H       6.260294     10.703798      8.238388
  C       4.275222     13.968214      7.989781
  H       3.381354     14.283874      8.557395
  H       5.149966     14.337438      8.556317
  C       4.241272     14.580661      6.585251
  H       3.405699     14.127804      6.022631
  H       5.158441     14.301441      6.036540
  C       4.113170     16.118041      6.607654
  H       5.007099     16.555984      7.090315
  H       3.257316     16.380495      7.272256
  C       4.487686     18.150069      4.804413
  C       2.588488     16.220222      4.337065
  C       4.176752     11.823902      9.909233
  H       3.184152     12.204294     10.210367
  H       4.136994     10.728349     10.034201
  C       5.273304     12.430785     10.800954
  H       6.260122     12.053618     10.477112
  H       5.305439     13.527815     10.669944
  C       5.060978     12.099218     12.287016
  H       4.939649     10.999251     12.410615
  H       4.087277     12.503838     12.636243
  C       7.567888     13.109205     12.832675
  C       5.921699     12.289123     14.864526
  C       5.304109      8.804702      5.177122
  H       4.438948      8.229604      4.800610
  H       6.023841      8.881936      4.341575
  C       5.964719      8.098791      6.373422
  H       6.581490      7.276321      5.969109
  H       6.690557      8.794235      6.832792
  C       5.001705      7.534216      7.433881
  H       4.750132      6.481482      7.196442
  H       4.022194      8.052111      7.368505
  C       6.759597      8.274536      9.431132
  H       7.124860      9.038027      8.713480
  C       6.884051      8.865446     10.848873
  H       6.525391      8.126138     11.590845
  H       6.227229      9.747041     10.948646
  C       8.329853      9.259868     11.191079
  H       8.648989     10.084177     10.521142
  H       8.382944      9.653270     12.222714
  C       9.290194      8.072435     11.025343
  H       9.037294      7.296136     11.773886
  H      10.329241      8.384546     11.233349
  C       9.189071      7.465685      9.618298
  H       9.850597      6.584926      9.529879
  H       9.540439      8.205219      8.871859
  C       7.742961      7.063251      9.277272
  H       7.699301      6.654197      8.251150
  H       7.422223      6.248717      9.955969
  C       4.446196      6.960951     10.058056
  H       5.089504      6.596252     10.887208
  C       3.579465      5.772365      9.585885
  H       4.230030      4.963601      9.204619
  H       2.949508      6.088587      8.732269
  C       2.668613      5.233697     10.700276
  H       2.051070      4.399561     10.320814
  H       3.295453      4.818058     11.513562
  C       1.773327      6.343220     11.272776
  H       1.143377      5.950029     12.090585
  H       1.077414      6.693866     10.483504
  C       2.612268      7.528345     11.773183
  H       3.226506      7.201222     12.634315
  H       1.957143      8.339538     12.143250
  C       3.549029      8.070123     10.680115
  H       4.175778      8.875174     11.100847
  H       2.946193      8.536496      9.876079
  C       4.662485     11.165201      3.712229
  H       5.490212     10.670068      3.170732
  H       3.729800     10.764233      3.278245
  C       4.737633     12.684396      3.514238
  H       5.743912     13.035419      3.803951
  H       4.031929     13.179903      4.201287
  C       4.446546     13.125280      2.071250
  H       3.420000     12.829409      1.774487
  H       5.099936     12.550261      1.372737
  C       5.801025     15.505373      2.450885
  C       4.015948     15.233482      0.399834
  Co      3.063540     10.846423      6.852853
  P       4.317392     12.110997      8.087441
  P       4.726503     10.553688      5.474201
  H       1.894794      7.480122      6.749275
  H       2.090681      9.672561      3.557333
  H       1.725506     13.404064      4.630325
  H       1.078613     11.640494      9.793774
  H       1.227479     13.465536      8.512019
  C       1.261605     11.909461      7.001983
  C       1.468411     11.504635      5.644332
  C       1.569649     10.054636      5.632232
  C       1.413650      9.580098      6.977915
  C       1.606795      9.178975      4.414089
  C       1.354936     12.386678      4.436422
  C       0.930496     13.298094      7.464875
  C       1.246623     10.724275      7.838243
  C       0.890623     10.677463      9.295026
  C       1.287237      8.143505      7.383874
  H       1.454057      9.898307      9.830204
  H       1.587729      7.987967      8.429186
  H       1.903141     11.980226      3.573745
  H       2.127563      8.228162      4.609119
  H       1.404444     14.068242      6.838170
  H      -0.163366     13.450162      7.407494
  H      -0.185831     10.451348      9.410677
  H       0.293128     12.473161      4.137766
  H       0.574025      8.931144      4.105907
  H       0.232940      7.823603      7.286925
  H       6.298232     12.386237      5.656912
  H       3.838120      9.853196      7.664440
  H       3.042437     15.427328      3.704892
  H       2.131465     16.944377      3.640749
  H       1.786956     15.726104      4.917103
  H       4.346371     18.450276      3.752022
  H       5.565073     18.158340      5.051275
  H       4.038636     18.958528      5.424841
  H       3.134305     15.784075      0.799419
  H       3.618532     14.487335     -0.310755
  H       4.610310     15.986780     -0.147767
  H       5.878485     15.298736      3.533836
  H       5.689520     16.592422      2.299290
  H       6.791903     15.237213      2.020567
  H       8.139816     12.267823     12.382960
  H       8.200721     13.537089     13.628650
  H       7.459638     13.852629     12.020190
  H       5.049885     11.657740     15.109823
  H       5.734309     13.292185     15.307210
  H       6.811463     11.905845     15.398999
