56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.219906274495
  P       3.988200      8.796900      6.547500
  O       5.913300     11.242900      7.849800
  H       5.474300     11.344900      7.141000
  C       4.901500      8.971400      8.182600
  H       5.243900      8.055600      8.392700
  B       4.204100     10.375300      5.449400
  H       3.899400     11.358800      6.075800
  H       5.289700     10.488000      5.232200
  H       3.515800     10.342900      4.546800
  O       7.364800      8.465600      9.567800
  C       4.096400      9.385700      9.399900
  C       3.986600      8.473300     10.457100
  H       4.385200      7.614400     10.380500
  C       3.297700      8.814000     11.620700
  H       3.228000      8.185600     12.330300
  C       2.714500     10.065900     11.746100
  H       2.230700     10.290700     12.532400
  C       2.841400     10.991100     10.713600
  H       2.453000     11.853500     10.800300
  C       3.538000     10.653800      9.550700
  H       3.632200     11.295000      8.856400
  C       6.172700      9.865200      8.049800
  H       6.727600      9.526700      7.289400
  C       7.000900      9.808500      9.326000
  H       7.812900     10.366100      9.227400
  H       6.473600     10.158300     10.087600
  C       8.041700      8.312600     10.802100
  H       8.809800      8.920600     10.830600
  H       8.353400      7.388000     10.891100
  H       7.430400      8.523500     11.538400
  C       4.806000      7.319400      5.699700
  C       4.410700      5.974800      6.313000
  H       4.943500      5.260900      5.905900
  H       3.459400      5.807700      6.148000
  H       4.576000      5.994700      7.278700
  C       6.332700      7.463000      5.793700
  H       6.610500      7.389100      6.730900
  H       6.601100      8.337700      5.442100
  H       6.760400      6.754000      5.269300
  C       4.466500      7.332000      4.195100
  H       4.988800      6.641400      3.736500
  H       4.684600      8.210000      3.818500
  H       3.510800      7.153400      4.074300
  C       2.154800      8.460700      6.830400
  C       1.463500      9.792800      7.147000
  H       0.494200      9.654400      7.194700
  H       1.666500     10.441600      6.440900
  H       1.788100     10.132700      8.007000
  C       1.841700      7.441900      7.932800
  H       2.230500      7.746700      8.779300
  H       2.224300      6.572900      7.691600
  H       0.870400      7.355400      8.031400
  C       1.543800      7.960800      5.508000
  H       1.860100      7.051200      5.325000
  H       1.816000      8.554800      4.777300
  H       0.566200      7.958000      5.579800
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.368800090988
  P       3.986344      8.800696      6.547857
  O       5.914290     11.245443      7.850448
  H       5.450552     11.355417      7.104165
  C       4.899219      8.974364      8.183085
  H       5.248334      8.039289      8.395583
  B       4.201256     10.378105      5.448866
  H       3.892036     11.359846      6.078886
  H       5.301711     10.491194      5.229229
  H       3.509671     10.339232      4.535941
  O       7.364717      8.457971      9.562162
  C       4.094786      9.387926      9.400634
  C       3.985110      8.475012     10.456128
  H       4.397855      7.584587     10.375243
  C       3.297485      8.814366     11.619973
  H       3.225437      8.162041     12.354659
  C       2.714787     10.067789     11.746721
  H       2.213937     10.300877     12.562175
  C       2.842044     10.993357     10.714431
  H       2.440270     11.887812     10.804491
  C       3.537287     10.656538      9.551879
  H       3.634809     11.321248      8.832938
  C       6.172292      9.865952      8.049025
  H       6.736757      9.519880      7.272308
  C       7.003249      9.804807      9.323668
  H       7.836035     10.374658      9.219824
  H       6.465305     10.163626     10.105346
  C       8.046156      8.299634     10.797017
  H       8.838907      8.920581     10.826958
  H       8.361530      7.347871     10.881149
  H       7.421411      8.515517     11.557261
  C       4.807303      7.324316      5.703418
  C       4.412225      5.978160      6.319489
  H       4.962374      5.246727      5.901519
  H       3.436433      5.801890      6.150242
  H       4.581925      5.997378      7.311475
  C       6.335968      7.471691      5.800895
  H       6.622586      7.397462      6.762865
  H       6.612916      8.369040      5.438776
  H       6.774908      6.742566      5.263555
  C       4.468696      7.334037      4.197022
  H       5.008673      6.624148      3.730818
  H       4.691218      8.234555      3.807168
  H       3.489099      7.147119      4.068504
  C       2.153183      8.462226      6.828762
  C       1.458026      9.795432      7.144962
  H       0.463227      9.647736      7.192047
  H       1.664106     10.463328      6.421104
  H       1.785765     10.146816      8.028358
  C       1.840894      7.442344      7.933037
  H       2.236695      7.754627      8.803310
  H       2.234244      6.549593      7.688655
  H       0.842968      7.353292      8.031150
  C       1.544445      7.958884      5.504196
  H       1.869205      7.025392      5.315632
  H       1.821469      8.567568      4.751976
  H       0.540670      7.954841      5.579918
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.465644509791
  P       3.982486      8.805449      6.547411
  O       5.914345     11.249971      7.854444
  H       5.433937     11.365485      7.084521
  C       4.894509      8.979135      8.183752
  H       5.250844      8.022638      8.397579
  B       4.195816     10.380843      5.445767
  H       3.878957     11.359737      6.080693
  H       5.316281     10.493748      5.222763
  H       3.501151     10.330580      4.517835
  O       7.364090      8.449044      9.553646
  C       4.092338      9.391586      9.402593
  C       3.983425      8.478586     10.456461
  H       4.408910      7.558367     10.370476
  C       3.299199      8.815960     11.621356
  H       3.225882      8.140589     12.379269
  C       2.717829     10.071113     11.750753
  H       2.202470     10.312147     12.594512
  C       2.844474     10.996763     10.718801
  H       2.430894     11.921599     10.812652
  C       3.536156     10.660735      9.555880
  H       3.635727     11.347864      8.814185
  C       6.170182      9.868473      8.049223
  H       6.744759      9.514656      7.254375
  C       7.005562      9.800146      9.320934
  H       7.860464     10.382973      9.210276
  H       6.458098     10.168595     10.125337
  C       8.052034      8.283366     10.787009
  H       8.871835      8.915844     10.819048
  H       8.369314      7.302746     10.862136
  H       7.416142      8.503271     11.574695
  C       4.810625      7.329907      5.708025
  C       4.417294      5.981879      6.327606
  H       4.987850      5.233577      5.899143
  H       3.417295      5.791001      6.153918
  H       4.590770      5.998575      7.347083
  C       6.341095      7.482800      5.811174
  H       6.638750      7.408938      6.798221
  H       6.628910      8.402735      5.437530
  H       6.792022      6.732314      5.261187
  C       4.476280      7.334945      4.199093
  H       5.037752      6.605275      3.728294
  H       4.702651      8.257899      3.793110
  H       3.473655      7.136422      4.056523
  C       2.148000      8.464485      6.825240
  C       1.448251      9.799162      7.139382
  H       0.427167      9.639856      7.184718
  H       1.656041     10.487862      6.397643
  H       1.775171     10.165135      8.047312
  C       1.835286      7.444907      7.932467
  H       2.235756      7.763935      8.828750
  H       2.238156      6.525939      7.688925
  H       0.809373      7.354166      8.028174
  C       1.541580      7.956187      5.499024
  H       1.872624      6.997412      5.303662
  H       1.821666      8.578003      4.722107
  H       0.510670      7.951477      5.580206
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.530643643658
  P       3.974801      8.816104      6.545748
  O       5.905955     11.265284      7.875909
  H       5.403899     11.389075      7.078251
  C       4.880938      8.992958      8.186984
  H       5.248095      8.005974      8.397331
  B       4.190721     10.386972      5.438091
  H       3.854527     11.358238      6.082783
  H       5.347838     10.492004      5.207141
  H       3.496399     10.307788      4.478528
  O       7.364400      8.435031      9.528574
  C       4.082728      9.399485      9.408977
  C       3.978984      8.487090     10.461569
  H       4.422082      7.529237     10.366544
  C       3.303845      8.818983     11.630559
  H       3.233642      8.112660     12.417698
  C       2.723677     10.075257     11.767008
  H       2.194753     10.326130     12.650404
  C       2.843075     11.000250     10.734948
  H       2.413414     11.963685     10.835349
  C       3.524501     10.667330      9.568457
  H       3.620136     11.384001      8.797710
  C       6.160077      9.880895      8.054891
  H       6.746869      9.520957      7.232085
  C       7.008979      9.791985      9.316203
  H       7.893029     10.393735      9.191495
  H       6.456343     10.170246     10.158751
  C       8.070052      8.250384     10.750512
  H       8.931656      8.891522     10.785224
  H       8.383452      7.228699     10.798955
  H       7.430520      8.470567     11.585556
  C       4.821420      7.339017      5.718439
  C       4.432213      5.990095      6.345357
  H       5.035417      5.221254      5.905670
  H       3.403202      5.765892      6.164653
  H       4.608090      5.998200      7.402376
  C       6.353233      7.497622      5.835388
  H       6.671932      7.423443      6.853851
  H       6.666694      8.442278      5.441699
  H       6.816774      6.714115      5.271156
  C       4.501932      7.331621      4.205559
  H       5.099362      6.574308      3.738999
  H       4.735615      8.280176      3.769591
  H       3.473007      7.111833      4.026704
  C       2.134692      8.471861      6.814765
  C       1.427812      9.808650      7.120915
  H       0.371973      9.628540      7.160767
  H       1.632612     10.527169      6.355736
  H       1.742197     10.202657      8.061824
  C       1.816757      7.459943      7.929887
  H       2.212124      7.787963      8.865594
  H       2.226859      6.500157      7.702221
  H       0.752094      7.369621      8.014373
  C       1.531994      7.951047      5.489735
  H       1.862269      6.955595      5.284477
  H       1.808295      8.583655      4.671730
  H       0.464847      7.947562      5.583201
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.539406128315
  P       3.983245      8.827254      6.543215
  O       5.863490     11.299051      7.925216
  H       5.355438     11.428479      7.114577
  C       4.874695      9.007583      8.192574
  H       5.259284      8.010991      8.391674
  B       4.225001     10.392315      5.430919
  H       3.888608     11.360897      6.081642
  H       5.401653     10.465888      5.185797
  H       3.532195     10.298500      4.454286
  O       7.383521      8.454015      9.497926
  C       4.067863      9.389103      9.415021
  C       3.992440      8.477229     10.469767
  H       4.465817      7.513640     10.369462
  C       3.321046      8.791992     11.644285
  H       3.274402      8.071359     12.445117
  C       2.714462     10.035136     11.786551
  H       2.184342     10.281288     12.692577
  C       2.798634     10.958299     10.750425
  H       2.338395     11.927881     10.853920
  C       3.473515     10.640375      9.577478
  H       3.538933     11.369142      8.790726
  C       6.140697      9.916233      8.071995
  H       6.734290      9.577502      7.229238
  C       7.005827      9.808720      9.320400
  H       7.890848     10.435881      9.191012
  H       6.454484     10.169258     10.191169
  C       8.111112      8.251207     10.701396
  H       8.990479      8.896760     10.736176
  H       8.425610      7.212745     10.720324
  H       7.482597      8.457630     11.569626
  C       4.823423      7.332604      5.731827
  C       4.422111      5.996933      6.376989
  H       5.030461      5.207813      5.939720
  H       3.379954      5.759249      6.197905
  H       4.600340      6.004012      7.449787
  C       6.356632      7.469701      5.846299
  H       6.697016      7.397429      6.873826
  H       6.703008      8.408817      5.425625
  H       6.804956      6.654887      5.283161
  C       4.500990      7.305820      4.222540
  H       5.097815      6.519207      3.765942
  H       4.755472      8.251322      3.754764
  H       3.457661      7.093005      4.028580
  C       2.135855      8.497224      6.797529
  C       1.435879      9.840863      7.086961
  H       0.363949      9.657267      7.123610
  H       1.639526     10.566478      6.306824
  H       1.740130     10.257636      8.038349
  C       1.801288      7.504445      7.922759
  H       2.173576      7.844358      8.880337
  H       2.210346      6.520796      7.724979
  H       0.718407      7.416445      7.985530
  C       1.540713      7.962647      5.476880
  H       1.859660      6.946714      5.274080
  H       1.813070      8.589996      4.633424
  H       0.457639      7.964778      5.574179
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.539176930924
  P       3.944159      8.839839      6.550653
  O       5.882790     11.284488      7.930028
  H       5.373264     11.433436      7.118580
  C       4.830598      9.025371      8.202599
  H       5.198533      8.018790      8.399596
  B       4.173513     10.414515      5.446920
  H       3.810661     11.369946      6.101849
  H       5.355776     10.493787      5.197982
  H       3.491795     10.301698      4.458844
  O       7.353005      8.381314      9.442669
  C       4.047384      9.425426      9.432787
  C       3.963267      8.516373     10.489323
  H       4.401819      7.531715     10.376351
  C       3.328200      8.850465     11.678137
  H       3.271759      8.125036     12.481221
  C       2.771312     10.114538     11.836759
  H       2.272990     10.380829     12.761331
  C       2.866352     11.035919     10.800468
  H       2.444416     12.027349     10.916543
  C       3.502377     10.696828      9.612270
  H       3.579794     11.430430      8.824375
  C       6.120494      9.893839      8.060375
  H       6.684828      9.540169      7.198136
  C       7.013616      9.747004      9.284620
  H       7.916972     10.350488      9.133125
  H       6.497800     10.121406     10.176654
  C       8.109303      8.144500     10.619282
  H       9.027631      8.743352     10.623907
  H       8.369201      7.086629     10.629983
  H       7.523385      8.385391     11.514178
  C       4.843891      7.371991      5.754212
  C       4.452857      6.022405      6.373506
  H       5.108293      5.251580      5.960115
  H       3.426788      5.743693      6.143315
  H       4.579488      6.020209      7.457960
  C       6.364349      7.550700      5.939311
  H       6.669506      7.481219      6.982486
  H       6.713671      8.498790      5.530377
  H       6.858756      6.744096      5.393991
  C       4.589083      7.354419      4.234196
  H       5.219564      6.575800      3.798124
  H       4.856777      8.307077      3.778570
  H       3.557700      7.128808      3.980658
  C       2.098076      8.464963      6.776388
  C       1.354891      9.793313      7.016319
  H       0.284249      9.575090      7.041388
  H       1.542761     10.508211      6.216787
  H       1.624671     10.251582      7.962551
  C       1.765862      7.495131      7.920197
  H       2.081320      7.876830      8.886487
  H       2.216471      6.516227      7.773939
  H       0.680913      7.363372      7.944699
  C       1.540793      7.880076      5.463786
  H       1.882943      6.862557      5.288204
  H       1.799993      8.493159      4.600672
  H       0.452140      7.854632      5.549119
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540293842662
  P       3.977741      8.839683      6.541148
  O       5.803227     11.333529      7.983284
  H       5.302362     11.479094      7.164561
  C       4.850428      9.027544      8.199504
  H       5.253187      8.030832      8.381107
  B       4.256379     10.396763      5.421982
  H       3.925132     11.366506      6.071126
  H       5.440000     10.424507      5.157444
  H       3.567928     10.289895      4.435781
  O       7.400846      8.463536      9.428071
  C       4.044186      9.377857      9.428062
  C       4.010412      8.463825     10.483209
  H       4.506942      7.505308     10.369171
  C       3.354071      8.757424     11.670995
  H       3.339088      8.027190     12.473651
  C       2.721624      9.985392     11.829775
  H       2.208320     10.221896     12.756065
  C       2.758909     10.909761     10.792531
  H       2.273908     11.873944     10.906884
  C       3.416419     10.610967      9.605311
  H       3.443907     11.347298      8.814697
  C       6.102383      9.952428      8.079793
  H       6.681830      9.645316      7.209625
  C       7.000946      9.814943      9.301228
  H       7.876780     10.462982      9.163527
  H       6.470206     10.146484     10.203032
  C       8.170141      8.231973     10.595330
  H       9.074065      8.854860     10.604160
  H       8.458443      7.180365     10.589919
  H       7.584982      8.444710     11.499535
  C       4.829643      7.329551      5.765891
  C       4.407719      6.008498      6.423053
  H       5.035969      5.207675      6.020655
  H       3.371506      5.748169      6.212547
  H       4.547826      6.024069      7.506771
  C       6.357012      7.461148      5.919334
  H       6.685887      7.407309      6.956890
  H       6.736530      8.380701      5.471773
  H       6.811204      6.619918      5.388401
  C       4.546835      7.283865      4.253445
  H       5.135544      6.466180      3.826873
  H       4.850316      8.210285      3.764743
  H       3.502500      7.097812      4.017532
  C       2.121316      8.523335      6.767409
  C       1.428099      9.877083      7.007565
  H       0.349740      9.695708      7.050273
  H       1.624574     10.581562      6.199506
  H       1.725668     10.335955      7.946546
  C       1.762447      7.572550      7.917585
  H       2.070808      7.957429      8.886007
  H       2.192811      6.580862      7.789119
  H       0.673574      7.460223      7.931866
  C       1.541925      7.954570      5.459310
  H       1.849148      6.925847      5.279163
  H       1.807299      8.560272      4.591621
  H       0.452105      7.959415      5.552517
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540382041227
  P       3.979355      8.843745      6.542908
  O       5.835139     11.315563      7.961023
  H       5.350248     11.455117      7.134307
  C       4.854841      9.024067      8.201105
  H       5.244817      8.024652      8.384205
  B       4.243411     10.407678      5.428618
  H       3.903935     11.373698      6.078493
  H       5.423092     10.447670      5.163129
  H       3.555847     10.298267      4.444246
  O       7.384868      8.450305      9.465860
  C       4.052596      9.384010      9.429204
  C       3.986939      8.459148     10.473431
  H       4.458770      7.492181     10.352941
  C       3.325464      8.755394     11.657872
  H       3.284518      8.018622     12.449806
  C       2.720072      9.996051     11.823934
  H       2.202670     10.233024     12.744535
  C       2.791711     10.931808     10.798541
  H       2.330661     11.903782     10.919142
  C       3.455449     10.630944      9.615171
  H       3.512522     11.374854      8.837000
  C       6.118580      9.932632      8.079667
  H       6.700700      9.608099      7.219842
  C       7.003271      9.804317      9.312285
  H       7.886523     10.438239      9.174140
  H       6.468278     10.156073     10.201148
  C       8.140663      8.229319     10.644153
  H       9.053231      8.835199     10.646956
  H       8.409970      7.175196     10.664607
  H       7.553341      8.471695     11.536438
  C       4.829365      7.341033      5.754401
  C       4.439315      6.020394      6.431775
  H       5.058463      5.223068      6.014961
  H       3.400239      5.753545      6.256705
  H       4.614052      6.044238      7.507902
  C       6.359475      7.492601      5.858918
  H       6.720372      7.450158      6.883743
  H       6.710579      8.412773      5.395323
  H       6.807764      6.656410      5.319514
  C       4.496328      7.283375      4.252810
  H       5.071590      6.466895      3.811652
  H       4.779026      8.206473      3.750394
  H       3.446512      7.093483      4.055810
  C       2.127055      8.513593      6.769756
  C       1.422667      9.862825      7.004756
  H       0.348182      9.674289      7.054643
  H       1.609442     10.561096      6.191995
  H       1.722385     10.329209      7.936903
  C       1.777568      7.561129      7.921684
  H       2.068715      7.958549      8.888007
  H       2.230523      6.580621      7.802686
  H       0.693585      7.425312      7.927281
  C       1.558357      7.934887      5.461022
  H       1.881154      6.912541      5.283761
  H       1.818160      8.542556      4.595814
  H       0.470446      7.924398      5.549974
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540531040639
  P       3.975421      8.840341      6.540688
  O       5.832509     11.313909      7.944155
  H       5.352594     11.450412      7.115631
  C       4.855264      9.022656      8.195900
  H       5.247091      8.024902      8.377637
  B       4.237221     10.402527      5.421940
  H       3.892395     11.369981      6.065826
  H       5.414738     10.444098      5.156434
  H       3.552937     10.285824      4.437246
  O       7.387078      8.454448      9.455693
  C       4.055646      9.380384      9.425820
  C       3.994883      8.455053     10.470001
  H       4.473282      7.493156     10.350685
  C       3.327733      8.746334     11.652533
  H       3.291031      8.010729     12.443384
  C       2.709863      9.981293     11.815751
  H       2.187301     10.213166     12.732685
  C       2.776104     10.917314     10.790055
  H       2.305866     11.883227     10.908119
  C       3.446878     10.622063      9.609117
  H       3.499537     11.364867      8.831822
  C       6.117894      9.931360      8.066679
  H       6.695645      9.604521      7.205827
  C       7.007030      9.808153      9.296543
  H       7.889210     10.439968      9.152629
  H       6.476201     10.164420     10.184461
  C       8.148818      8.238404     10.630913
  H       9.066684      8.833537     10.620303
  H       8.406670      7.183127     10.662689
  H       7.571606      8.497562     11.523253
  C       4.830061      7.337893      5.757530
  C       4.413028      6.014261      6.412423
  H       5.036313      5.216527      6.006291
  H       3.378227      5.756870      6.207624
  H       4.558767      6.027480      7.491525
  C       6.357242      7.480445      5.905394
  H       6.689943      7.421786      6.937444
  H       6.723599      8.404445      5.465058
  H       6.816696      6.651475      5.366633
  C       4.543015      7.299493      4.245858
  H       5.124582      6.484523      3.813441
  H       4.849059      8.224556      3.763816
  H       3.500410      7.120540      4.013626
  C       2.123209      8.516300      6.779089
  C       1.430744      9.870801      7.018717
  H       0.357600      9.690364      7.092595
  H       1.604463     10.560466      6.197584
  H       1.753407     10.342076      7.939450
  C       1.778515      7.569083      7.936621
  H       2.057871      7.979018      8.899630
  H       2.243602      6.594279      7.829922
  H       0.697592      7.419797      7.937209
  C       1.537215      7.939520      5.477846
  H       1.847402      6.914780      5.300901
  H       1.793826      8.542167      4.609988
  H       0.451278      7.940121      5.576267
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540646314207
  P       3.975360      8.844015      6.543109
  O       5.795450     11.336185      7.985593
  H       5.310363     11.483987      7.160757
  C       4.847320      9.030460      8.202881
  H       5.250824      8.035308      8.378958
  B       4.255331     10.398326      5.416662
  H       3.907300     11.370057      6.051228
  H       5.436132     10.427662      5.156080
  H       3.579832     10.272946      4.425297
  O       7.400770      8.463769      9.418419
  C       4.046538      9.374463      9.435144
  C       3.999727      8.445836     10.477127
  H       4.486183      7.487145     10.351636
  C       3.336943      8.727406     11.664282
  H       3.310536      7.987557     12.453525
  C       2.710782      9.957069     11.835644
  H       2.192017     10.182478     12.758005
  C       2.765175     10.897452     10.813383
  H       2.289107     11.861288     10.938089
  C       3.431092     10.611445      9.627497
  H       3.476131     11.359558      8.852855
  C       6.098289      9.954770      8.076611
  H       6.669113      9.650696      7.201736
  C       7.004891      9.815920      9.291741
  H       7.879078     10.460985      9.148209
  H       6.482377     10.149520     10.194814
  C       8.183211      8.231911     10.576046
  H       9.102857      8.826652     10.557613
  H       8.440629      7.174927     10.588783
  H       7.622821      8.479427     11.483923
  C       4.830487      7.332825      5.776239
  C       4.405608      6.016480      6.439376
  H       5.029783      5.212492      6.043312
  H       3.370870      5.757326      6.230433
  H       4.544837      6.035740      7.520428
  C       6.356622      7.470909      5.932359
  H       6.686123      7.418969      6.966997
  H       6.731999      8.388587      5.483645
  H       6.815716      6.633634      5.403371
  C       4.551913      7.283391      4.264128
  H       5.128449      6.457529      3.842302
  H       4.871916      8.200623      3.773582
  H       3.508603      7.112727      4.023834
  C       2.118308      8.528834      6.763353
  C       1.427433      9.887768      6.977548
  H       0.352468      9.709702      7.051225
  H       1.602930     10.564275      6.144408
  H       1.746419     10.376361      7.891588
  C       1.754152      7.597367      7.927084
  H       1.996423      8.028364      8.891933
  H       2.234266      6.625485      7.854317
  H       0.674522      7.432060      7.898095
  C       1.545796      7.939378      5.462941
  H       1.851687      6.909912      5.299622
  H       1.811812      8.531559      4.589257
  H       0.457475      7.945281      5.549875
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540681515634
  P       3.978247      8.846573      6.540853
  O       5.799788     11.327632      7.963576
  H       5.328149     11.466042      7.128924
  C       4.850742      9.025429      8.200819
  H       5.253903      8.028944      8.371460
  B       4.266179     10.401799      5.416495
  H       3.922445     11.374178      6.052086
  H       5.446592     10.422785      5.151146
  H       3.589028     10.277524      4.425327
  O       7.396035      8.472096      9.440275
  C       4.051592      9.362077      9.435955
  C       4.009724      8.428447     10.473663
  H       4.501686      7.472622     10.343431
  C       3.345956      8.700879     11.662330
  H       3.324528      7.957086     12.448704
  C       2.712510      9.925998     11.839305
  H       2.192488     10.144397     12.763232
  C       2.760063     10.870656     10.820679
  H       2.277167     11.831153     10.949242
  C       3.427059     10.593827      9.633246
  H       3.465674     11.345333      8.860951
  C       6.102783      9.947489      8.072102
  H       6.678044      9.634243      7.202708
  C       7.002542      9.822706      9.293800
  H       7.878379     10.465558      9.146693
  H       6.475452     10.168777     10.190148
  C       8.175345      8.254902     10.602456
  H       9.101779      8.839626     10.573512
  H       8.421737      7.195290     10.636035
  H       7.617413      8.525893     11.505746
  C       4.827200      7.332269      5.773673
  C       4.411861      6.020605      6.451164
  H       5.030933      5.213439      6.051983
  H       3.374199      5.758666      6.258410
  H       4.565963      6.045922      7.530548
  C       6.354629      7.474623      5.910815
  H       6.698331      7.432455      6.941706
  H       6.723947      8.388420      5.448262
  H       6.809231      6.632828      5.383889
  C       4.529008      7.271712      4.266159
  H       5.096892      6.439666      3.843285
  H       4.847357      8.183491      3.763543
  H       3.481816      7.103609      4.038858
  C       2.119770      8.540220      6.760019
  C       1.435390      9.903432      6.965866
  H       0.360128      9.729814      7.053141
  H       1.603459     10.569836      6.122537
  H       1.765042     10.402817      7.870859
  C       1.750422      7.618328      7.929631
  H       1.966743      8.067369      8.892984
  H       2.246858      6.652587      7.881539
  H       0.673737      7.434891      7.883813
  C       1.546773      7.946083      5.462335
  H       1.847200      6.913722      5.303851
  H       1.815072      8.532709      4.585052
  H       0.457809      7.957326      5.548079
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540715284356
  P       3.981478      8.850080      6.538777
  O       5.796763     11.335747      7.972663
  H       5.327407     11.477755      7.137965
  C       4.854101      9.029634      8.198943
  H       5.259294      8.034279      8.368136
  B       4.267012     10.400550      5.406516
  H       3.918472     11.376334      6.033894
  H       5.446761     10.424529      5.143060
  H       3.592275     10.267554      4.415372
  O       7.400157      8.477022      9.435241
  C       4.051604      9.360087      9.433428
  C       3.995627      8.415307     10.460274
  H       4.481635      7.458236     10.323241
  C       3.324146      8.679269     11.646564
  H       3.291634      7.927670     12.424112
  C       2.697288      9.906581     11.831916
  H       2.170954     10.117817     12.753094
  C       2.759821     10.862398     10.824490
  H       2.283123     11.824217     10.960006
  C       3.434576     10.594132      9.639460
  H       3.486264     11.353878      8.876971
  C       6.103644      9.955701      8.073809
  H       6.678822      9.648365      7.202771
  C       7.004426      9.827690      9.294331
  H       7.878691     10.472298      9.149744
  H       6.477225     10.168853     10.191844
  C       8.183013      8.257332     10.594772
  H       9.109660      8.840467     10.563101
  H       8.427751      7.197842     10.626961
  H       7.628663      8.528476     11.499465
  C       4.826697      7.331804      5.776134
  C       4.408322      6.024155      6.459588
  H       5.021957      5.213085      6.061531
  H       3.368974      5.767237      6.271673
  H       4.566276      6.053296      7.537773
  C       6.354685      7.472177      5.910632
  H       6.699197      7.432842      6.940778
  H       6.723495      8.384266      5.445573
  H       6.807670      6.629050      5.385552
  C       4.526981      7.265669      4.268995
  H       5.092938      6.431704      3.848766
  H       4.845916      8.174967      3.763401
  H       3.479757      7.098158      4.044019
  C       2.123925      8.545882      6.763296
  C       1.440218      9.911075      6.958922
  H       0.366491      9.738325      7.058977
  H       1.600127     10.565898      6.105669
  H       1.778554     10.421777      7.853861
  C       1.758691      7.634259      7.942612
  H       1.963187      8.100437      8.900024
  H       2.268702      6.675349      7.912042
  H       0.685349      7.436372      7.893188
  C       1.548255      7.940220      5.471898
  H       1.847541      6.906558      5.322917
  H       1.816662      8.518246      4.589636
  H       0.459947      7.953891      5.558520
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540720181917
  P       3.981072      8.847162      6.538962
  O       5.791318     11.336642      7.966765
  H       5.321397     11.475756      7.132293
  C       4.855265      9.028817      8.198581
  H       5.262598      8.034801      8.368452
  B       4.268469     10.393942      5.402134
  H       3.917694     11.372778      6.023502
  H       5.448393     10.419509      5.142565
  H       3.596066     10.256597      4.410433
  O       7.401724      8.484992      9.435993
  C       4.053888      9.359002      9.433952
  C       3.996583      8.412684     10.459263
  H       4.480848      7.455478     10.320841
  C       3.324594      8.675703     11.645464
  H       3.290270      7.923200     12.421445
  C       2.699236      9.903591     11.832313
  H       2.172126     10.113659     12.752792
  C       2.765223     10.861673     10.827221
  H       2.291011     11.823961     10.964506
  C       3.440810     10.594505      9.642401
  H       3.496361     11.355775      8.882262
  C       6.102176      9.957490      8.071073
  H       6.677569      9.649557      7.200645
  C       7.003539      9.834753      9.291594
  H       7.876440     10.480204      9.145414
  H       6.475713     10.176982     10.187898
  C       8.187265      8.270734     10.595052
  H       9.112109      8.855729     10.559382
  H       8.434241      7.212218     10.630549
  H       7.633871      8.543841     11.499238
  C       4.824949      7.326666      5.780181
  C       4.401843      6.020843      6.464683
  H       5.012575      5.207460      6.068034
  H       3.361662      5.768728      6.276708
  H       4.559261      6.051513      7.542572
  C       6.352830      7.465479      5.919315
  H       6.692962      7.426087      6.950583
  H       6.722550      8.378037      5.456620
  H       6.807104      6.622795      5.395507
  C       4.530531      7.258422      4.271790
  H       5.099275      6.425407      3.854504
  H       4.849000      8.167977      3.767092
  H       3.484581      7.088493      4.044546
  C       2.122737      8.546035      6.761378
  C       1.443774      9.910946      6.975848
  H       0.370411      9.740284      7.079155
  H       1.602356     10.574065      6.129203
  H       1.788062     10.410187      7.874708
  C       1.753722      7.618215      7.927326
  H       1.951639      8.074331      8.890422
  H       2.268345      6.662319      7.888685
  H       0.681792      7.417328      7.869817
  C       1.543466      7.962081      5.461314
  H       1.838138      6.929602      5.297634
  H       1.815706      8.551466      4.588216
  H       0.455657      7.980298      5.548072
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540737334913
  P       3.981807      8.846722      6.538549
  O       5.785652     11.337292      7.962162
  H       5.316351     11.473120      7.126506
  C       4.856834      9.027140      8.197879
  H       5.267315      8.033834      8.365254
  B       4.274409     10.392054      5.401222
  H       3.927581     11.372677      6.022174
  H       5.454624     10.413561      5.141076
  H       3.600560     10.256310      4.410079
  O       7.403071      8.493445      9.439225
  C       4.055760      9.351763      9.435162
  C       4.002721      8.402440     10.457913
  H       4.489788      7.446822     10.316024
  C       3.332003      8.660154     11.645975
  H       3.301126      7.905184     12.420134
  C       2.703507      9.885714     11.837344
  H       2.177284     10.091779     12.759598
  C       2.765008     10.846733     10.834809
  H       2.288042     11.807501     10.975609
  C       3.439212     10.584821      9.648028
  H       3.490970     11.348410      8.889569
  C       6.100753      9.959342      8.070007
  H       6.678089      9.651279      7.200601
  C       7.001258      9.841806      9.291626
  H       7.872744     10.489416      9.144836
  H       6.471481     10.184541     10.186878
  C       8.189256      8.284222     10.598805
  H       9.112422      8.872245     10.561880
  H       8.439602      7.226324     10.636406
  H       7.634769      8.557465     11.502591
  C       4.822216      7.324252      5.779572
  C       4.394782      6.018354      6.461218
  H       5.004926      5.204148      6.064690
  H       3.354320      5.768800      6.270247
  H       4.549541      6.047191      7.539801
  C       6.350240      7.459060      5.921385
  H       6.688536      7.417834      6.953449
  H       6.722964      8.371543      5.460340
  H       6.803367      6.615595      5.397424
  C       4.530407      7.258265      4.270559
  H       5.098991      6.424811      3.853355
  H       4.850803      8.168237      3.767353
  H       3.484398      7.089740      4.041386
  C       2.122255      8.552574      6.760242
  C       1.446214      9.921198      6.960003
  H       0.372151      9.753707      7.063767
  H       1.607356     10.575378      6.106590
  H       1.790201     10.428995      7.854417
  C       1.747356      7.637291      7.934359
  H       1.943438      8.103278      8.893361
  H       2.260058      6.679840      7.907919
  H       0.674879      7.438544      7.875714
  C       1.544686      7.956835      5.464708
  H       1.835085      6.920922      5.313825
  H       1.823140      8.534970      4.585773
  H       0.456487      7.981324      5.547518
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540742430226
  P       3.983111      8.849000      6.537653
  O       5.786935     11.341406      7.965409
  H       5.317555     11.479166      7.129727
  C       4.857445      9.030629      8.197301
  H       5.269440      8.037602      8.363418
  B       4.277697     10.390396      5.395378
  H       3.930211     11.373873      6.011535
  H       5.458481     10.410836      5.136062
  H       3.604328     10.250352      4.404261
  O       7.403514      8.493796      9.435949
  C       4.054385      9.350031      9.434826
  C       4.001529      8.396915     10.454032
  H       4.491466      7.442749     10.309610
  C       3.328142      8.648746     11.641818
  H       3.297956      7.890846     12.413635
  C       2.696074      9.871958     11.836286
  H       2.167702     10.073606     12.758705
  C       2.756031     10.836209     10.836789
  H       2.275509     11.795281     10.979825
  C       3.432763     10.580140      9.650186
  H       3.482736     11.346194      8.893669
  C       6.101107      9.963117      8.070638
  H       6.678111      9.655854      7.200227
  C       7.002722      9.842755      9.291105
  H       7.874936     10.489854      9.144384
  H       6.474132     10.184605     10.187721
  C       8.192714      8.282568     10.593104
  H       9.116416      8.870169     10.554409
  H       8.442420      7.224165     10.628424
  H       7.640718      8.554954     11.499036
  C       4.822735      7.324071      5.783164
  C       4.400087      6.021117      6.473359
  H       5.010062      5.205617      6.078490
  H       3.358983      5.769136      6.287827
  H       4.558973      6.055829      7.551485
  C       6.351032      7.463205      5.919047
  H       6.693037      7.429838      6.950485
  H       6.720219      8.373774      5.450742
  H       6.804433      6.617021      5.399272
  C       4.525175      7.248823      4.275699
  H       5.094980      6.414623      3.861005
  H       4.840479      8.157155      3.765851
  H       3.478519      7.075398      4.051731
  C       2.123286      8.558798      6.759573
  C       1.450027      9.929400      6.955044
  H       0.375687      9.763818      7.061887
  H       1.610463     10.579790      6.098281
  H       1.796451     10.440705      7.846882
  C       1.746276      7.648498      7.936959
  H       1.941364      8.119018      8.894327
  H       2.258943      6.690641      7.916160
  H       0.673516      7.450176      7.877801
  C       1.545335      7.959632      5.465646
  H       1.832738      6.921910      5.319413
  H       1.826807      8.533170      4.584363
  H       0.456905      7.987863      5.547289
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540749389652
  P       3.984319      8.848703      6.536468
  O       5.780265     11.343361      7.961195
  H       5.311199     11.477866      7.124785
  C       4.859346      9.030256      8.195893
  H       5.274426      8.038272      8.359989
  B       4.283495     10.386675      5.390631
  H       3.938829     11.373412      6.003309
  H       5.464215     10.403838      5.131207
  H       3.609070     10.245508      4.400440
  O       7.405787      8.504111      9.438312
  C       4.056230      9.344324      9.434679
  C       4.000229      8.385121     10.447968
  H       4.488017      7.430719     10.298129
  C       3.325710      8.631051     11.636334
  H       3.292650      7.868465     12.403385
  C       2.696090      9.854456     11.837502
  H       2.166852     10.051530     12.760397
  C       2.760007     10.824961     10.844314
  H       2.281877     11.784373     10.992891
  C       3.437830     10.574758      9.657096
  H       3.491601     11.345659      8.905783
  C       6.099611      9.966466      8.069127
  H       6.678394      9.659586      7.199625
  C       7.000561      9.851480      9.290596
  H       7.870809     10.501084      9.143500
  H       6.469996     10.193175     10.186095
  C       8.196839      8.298416     10.595288
  H       9.118256      8.889374     10.554273
  H       8.450437      7.241036     10.632766
  H       7.644589      8.570843     11.501020
  C       4.820338      7.320328      5.785441
  C       4.395220      6.020377      6.479879
  H       5.002740      5.202203      6.086894
  H       3.353168      5.771016      6.296041
  H       4.554993      6.058152      7.557771
  C       6.348964      7.457964      5.920551
  H       6.691043      7.427287      6.952022
  H       6.718631      8.367154      5.449980
  H       6.801390      6.609955      5.403040
  C       4.522374      7.240404      4.278214
  H       5.092966      6.405598      3.865952
  H       4.836215      8.147612      3.765555
  H       3.475811      7.064865      4.055612
  C       2.123685      8.564685      6.757876
  C       1.454855      9.937607      6.952571
  H       0.380345      9.775224      7.062329
  H       1.615379     10.585744      6.094169
  H       1.804760     10.449540      7.842698
  C       1.742751      7.655699      7.935145
  H       1.935013      8.127896      8.892246
  H       2.255953      6.698054      7.917715
  H       0.670225      7.457453      7.872928
  C       1.544512      7.966957      5.463724
  H       1.827459      6.927716      5.319372
  H       1.830294      8.537980      4.582265
  H       0.456180      8.000447      5.543909
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540757440509
  P       3.986785      8.848841      6.534511
  O       5.765069     11.351674      7.956194
  H       5.295715     11.481098      7.119118
  C       4.863182      9.032295      8.193662
  H       5.286789      8.043370      8.352492
  B       4.297740     10.376196      5.377079
  H       3.956878     11.371849      5.977617
  H       5.478636     10.386032      5.119768
  H       3.623313     10.228693      4.387960
  O       7.411640      8.527101      9.438517
  C       4.060229      9.331242      9.436185
  C       4.003489      8.358607     10.436526
  H       4.491665      7.406573     10.274396
  C       3.326351      8.587950     11.626663
  H       3.292129      7.815217     12.383262
  C       2.695063      9.807967     11.842804
  H       2.163587      9.992065     12.766946
  C       2.760902     10.792116     10.863232
  H       2.282203     11.749143     11.023996
  C       3.441517     10.558538      9.674220
  H       3.497773     11.339777      8.934013
  C       6.095352      9.977514      8.066569
  H       6.676688      9.673005      7.197608
  C       6.996964      9.871388      9.288288
  H       7.862743     10.526475      9.140162
  H       6.463944     10.210950     10.183024
  C       8.209538      8.330787     10.592564
  H       9.126066      8.928555     10.545281
  H       8.471161      7.275569     10.632028
  H       7.659334      8.601810     11.499799
  C       4.814813      7.311598      5.794095
  C       4.383567      6.019388      6.499255
  H       4.986436      5.194909      6.112831
  H       3.339914      5.775237      6.317630
  H       4.543347      6.065499      7.576711
  C       6.344032      7.446521      5.928343
  H       6.685905      7.422797      6.959907
  H       6.714697      8.352234      5.452153
  H       6.794886      6.594244      5.416922
  C       4.516866      7.219349      4.287498
  H       5.089996      6.383273      3.881853
  H       4.826977      8.123539      3.767600
  H       3.470829      7.038053      4.067717
  C       2.123805      8.581184      6.752454
  C       1.467060      9.961026      6.939616
  H       0.391859      9.808274      7.055033
  H       1.629942     10.600807      6.075618
  H       1.824660     10.476818      7.824435
  C       1.729480      7.679615      7.931288
  H       1.911521      8.158703      8.886738
  H       2.243437      6.722347      7.926695
  H       0.657842      7.481361      7.858557
  C       1.544166      7.983096      5.458536
  H       1.815216      6.939456      5.323290
  H       1.843002      8.544254      4.575333
  H       0.456097      8.030823      5.532310
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540760740869
  P       3.988784      8.849116      6.533072
  O       5.755802     11.357423      7.954105
  H       5.286092     11.484116      7.116642
  C       4.865423      9.034207      8.192090
  H       5.294286      8.047106      8.347462
  B       4.307231     10.369744      5.368306
  H       3.968793     11.370730      5.961505
  H       5.488243     10.374160      5.111726
  H       3.632606     10.218279      4.379849
  O       7.416030      8.541043      9.437052
  C       4.061571      9.323244      9.436182
  C       4.001562      8.341212     10.427109
  H       4.489179      7.390215     10.256938
  C       3.321381      8.559677     11.617518
  H       3.284492      7.779792     12.366703
  C       2.690264      9.778025     11.843484
  H       2.156363      9.953730     12.767930
  C       2.759586     10.771462     10.873558
  H       2.281215     11.727371     11.042204
  C       3.443205     10.548724      9.684197
  H       3.502687     11.337096      8.951722
  C       6.092658      9.984913      8.065171
  H       6.675421      9.682150      7.196192
  C       6.995086      9.883339      9.286660
  H       7.857883     10.542312      9.138023
  H       6.460889     10.220773     10.181567
  C       8.218363      8.349492     10.588792
  H       9.131753      8.951861     10.538331
  H       8.485413      7.295590     10.628068
  H       7.669577      8.618292     11.497613
  C       4.812451      7.306270      5.799998
  C       4.380151      6.019494      6.514294
  H       4.981218      5.191362      6.132789
  H       3.335778      5.776142      6.335162
  H       4.540749      6.072387      7.591354
  C       6.342041      7.441433      5.931223
  H       6.685913      7.423925      6.962264
  H       6.712043      8.344339      5.449153
  H       6.791956      6.585928      5.424324
  C       4.512077      7.203940      4.294596
  H       5.087152      6.367137      3.893139
  H       4.818013      8.105749      3.768076
  H       3.466170      7.017519      4.078315
  C       2.124483      8.592036      6.750056
  C       1.476521      9.976474      6.933341
  H       0.400702      9.830653      7.052381
  H       1.640956     10.611785      6.066344
  H       1.839712     10.493826      7.815116
  C       1.722738      7.695772      7.930564
  H       1.901904      8.177623      8.885187
  H       2.234258      6.737141      7.931548
  H       0.650884      7.500111      7.853739
  C       1.543096      7.993881      5.456981
  H       1.805828      6.947319      5.327184
  H       1.848931      8.548535      4.572103
  H       0.455240      8.050826      5.527900
56
Coordinates from ORCA-job SASVAS-B3LYP+D4 E -1223.540762869073
  P       3.989310      8.849266      6.533138
  O       5.754760     11.360046      7.954924
  H       5.285049     11.487000      7.117472
  C       4.865867      9.035876      8.192060
  H       5.296028      8.049264      8.346709
  B       4.309143     10.368325      5.366365
  H       3.970140     11.370171      5.957792
  H       5.490159     10.371495      5.110173
  H       3.635075     10.215469      4.377695
  O       7.417716      8.543537      9.434523
  C       4.061418      9.322636      9.436158
  C       4.000572      8.338736     10.425205
  H       4.488769      7.388246     10.253814
  C       3.318911      8.554715     11.615210
  H       3.281526      7.773465     12.362917
  C       2.686903      9.772341     11.842633
  H       2.151768      9.946097     12.766708
  C       2.756847     10.767552     10.874558
  H       2.277703     11.722860     11.044290
  C       3.441984     10.547328      9.685592
  H       3.501874     11.336993      8.954523
  C       6.092256      9.987599      8.065101
  H       6.674799      9.685439      7.195711
  C       6.995471      9.885574      9.285971
  H       7.857491     10.545605      9.137452
  H       6.461635     10.221578     10.181627
  C       8.221131      8.351158     10.585273
  H       9.133806      8.954641     10.535145
  H       8.489525      7.297536     10.622715
  H       7.672879      8.617853     11.495044
  C       4.812528      7.305237      5.801956
  C       4.380236      6.019779      6.518403
  H       4.981673      5.190987      6.138850
  H       3.336093      5.775608      6.338815
  H       4.540017      6.074278      7.595469
  C       6.342138      7.440734      5.932319
  H       6.686995      7.424349      6.963033
  H       6.712086      8.342805      5.448722
  H       6.791798      6.584520      5.426309
  C       4.511175      7.200575      4.297030
  H       5.086879      6.363945      3.896072
  H       4.815575      8.101863      3.768722
  H       3.465323      7.012560      4.081779
  C       2.124745      8.594109      6.750179
  C       1.479189      9.979634      6.933219
  H       0.403084      9.835927      7.052194
  H       1.644650     10.614934      6.066434
  H       1.843617     10.496304      7.814918
  C       1.721357      7.698602      7.930665
  H       1.901663      8.178732      8.885875
  H       2.230094      6.738488      7.930069
  H       0.649023      7.505390      7.853700
  C       1.543091      7.996056      5.457346
  H       1.803644      6.948766      5.328925
  H       1.850356      8.549095      4.571983
  H       0.455255      8.055120      5.527423
