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Goodvibes_output_test.xyz
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86
C_Me_EE_1 Eopt -3096.290749
C 3.878365 -0.960929 2.209887
C 2.473959 -1.036733 1.964191
C 4.674637 -2.019900 1.913512
N 1.595777 -0.119658 2.266132
H 2.068147 -1.916772 1.473578
H 4.312367 -0.055247 2.621979
H 4.213827 -2.912274 1.489280
C 0.126650 -0.256158 1.970464
C 1.869256 1.095235 3.051875
C -0.531674 0.796011 2.888102
C -0.191568 -0.137667 0.418791
H -0.145491 -1.268754 2.269083
C 0.569084 1.237981 3.845590
H 2.011351 1.954085 2.388919
H 2.730499 0.967649 3.706355
H -1.382979 0.392322 3.437973
H -0.869308 1.669175 2.329675
F 0.404524 2.496050 4.310301
F 0.624822 0.390566 4.918369
C -1.723873 -0.071757 0.240246
C -2.321760 0.698432 -0.763541
C -2.553559 -0.891310 1.017811
C -3.702446 0.660636 -0.972236
H -1.721288 1.328997 -1.406851
C -3.931477 -0.925514 0.811936
H -2.142346 -1.536082 1.786217
C -4.519111 -0.147247 -0.184526
H -5.589809 -0.176758 -0.348017
C 0.568538 1.078767 -0.154358
C 0.129156 2.403971 -0.003525
C 1.793015 0.868172 -0.793243
C 0.892193 3.471085 -0.483821
H -0.828879 2.627905 0.451164
C 2.546223 1.933993 -1.286512
H 2.155397 -0.141543 -0.929130
C 2.105884 3.245691 -1.134637
H 2.683878 4.074216 -1.526479
O 0.322192 -1.345677 -0.135194
Si -0.038779 -2.193641 -1.610442
C -1.743899 -2.994029 -1.522074
H -2.544275 -2.263361 -1.673863
H -1.834969 -3.738012 -2.323150
H -1.935930 -3.509340 -0.575282
C 0.002109 -0.984995 -3.061105
H -0.311834 -1.504544 -3.973639
H -0.696435 -0.153773 -2.922448
H 0.994105 -0.560604 -3.248633
C 1.332993 -3.537772 -1.805363
C 2.735796 -2.928603 -1.585225
H 2.907777 -2.063559 -2.237320
H 2.893325 -2.593809 -0.554456
H 3.523840 -3.655305 -1.818819
C 1.067513 -4.785769 -0.883979
H 0.055569 -5.137562 -1.129673
C 1.251178 -3.982078 -3.292473
H 2.038577 -4.706728 -3.525211
H 0.292516 -4.457760 -3.533671
H 1.391127 -3.140975 -3.978484
C 2.015855 -5.974797 -1.139160
H 1.749297 -6.808252 -0.479694
H 1.959835 -6.347545 -2.164956
H 3.061605 -5.718990 -0.930069
C 1.071370 -4.474710 0.623594
H 2.078798 -4.205697 0.971338
H 0.388470 -3.660489 0.886851
H 0.769554 -5.358922 1.195260
C 3.853997 1.612371 -1.966002
C 0.415510 4.885155 -0.240120
C -4.760393 -1.883614 1.634244
C -4.299192 1.546165 -2.042342
F 3.688710 0.641379 -2.895171
F 4.754386 1.139955 -1.068905
F 4.395536 2.679672 -2.568781
F 0.900982 5.737986 -1.157278
F 0.820281 5.315746 0.975803
F -0.930282 4.959442 -0.263380
F -3.498391 1.590216 -3.129832
F -4.439225 2.811446 -1.597809
F -5.509046 1.109671 -2.431541
F -4.633775 -3.145025 1.167923
F -6.064170 -1.565356 1.615317
F -4.348073 -1.895178 2.922080
C 6.143897 -2.069802 2.119794
H 6.401935 -2.911746 2.776837
H 6.647787 -2.269770 1.164104
H 6.543030 -1.146995 2.547408
86
C_Me_EE_10 Eopt -3096.288858
C -3.701552 0.558222 2.512529
C -2.311719 0.604826 2.193593
C -4.533471 1.511169 2.018555
N -1.431434 -0.305013 2.515239
H -1.926052 1.433216 1.607783
H -4.104082 -0.267455 3.091340
H -4.101741 2.317971 1.426621
C 0.022473 -0.287599 2.087849
C -1.747968 -1.482498 3.348302
C 0.550172 -1.629326 2.633090
C 0.217604 0.007947 0.536218
H 0.482703 0.540670 2.631265
C -0.366214 -1.942173 3.803173
H -2.229761 -2.258309 2.744353
H -2.380853 -1.210293 4.193893
H 1.588657 -1.579668 2.958526
H 0.452576 -2.432902 1.901790
F -0.364813 -3.245831 4.158289
F 0.006755 -1.201215 4.892596
C 1.675759 -0.259046 0.113558
C 2.749450 -0.096076 0.995428
C 1.964000 -0.549932 -1.226250
C 4.066876 -0.250379 0.561149
H 2.590806 0.167024 2.034322
C 3.281119 -0.692437 -1.661463
H 1.161375 -0.665156 -1.945418
C 4.343803 -0.552966 -0.769852
H 5.366348 -0.676426 -1.106352
C -0.780656 -0.850997 -0.272524
C -0.592740 -2.228146 -0.467003
C -1.939574 -0.269249 -0.790123
C -1.557352 -2.995911 -1.121439
H 0.325352 -2.713795 -0.156317
C -2.907308 -1.040492 -1.438334
H -2.073966 0.800429 -0.710970
C -2.729587 -2.410633 -1.603454
H -3.474991 -3.009468 -2.112913
O -0.119774 1.376240 0.325793
Si 0.721695 2.888868 0.305195
C 1.204010 3.254508 2.099280
H 1.880164 2.488730 2.498249
H 1.745203 4.204638 2.165887
H 0.341209 3.327316 2.772794
C 2.280198 2.896593 -0.753485
H 2.571065 3.940835 -0.924690
H 3.124243 2.410693 -0.255744
H 2.148008 2.432729 -1.735465
C -0.548781 4.183343 -0.352836
C -0.057255 5.551858 0.193300
H -0.018805 5.566509 1.287509
H 0.940051 5.814887 -0.180789
H -0.735260 6.357699 -0.106540
C -0.565352 4.227625 -1.926725
H 0.462849 4.466336 -2.233424
C -1.956269 3.927576 0.229814
H -2.637562 4.753189 -0.009086
H -2.406530 3.010124 -0.166581
H -1.926370 3.855655 1.326102
C -0.934407 2.891785 -2.596549
H -0.816763 2.974506 -3.682504
H -0.304766 2.060679 -2.263225
H -1.979078 2.614550 -2.412780
C -1.464945 5.333925 -2.514278
H -2.523040 5.169447 -2.278762
H -1.192097 6.334804 -2.168979
H -1.376602 5.335930 -3.606169
C -4.158416 -0.346442 -1.916565
C -1.348317 -4.487926 -1.246867
C 3.540053 -0.921768 -3.132640
C 5.183579 0.008901 1.543144
F -4.848579 0.165020 -0.856832
F -4.984293 -1.170204 -2.575399
F -3.870225 0.696560 -2.721391
F -2.034004 -5.001584 -2.281115
F -1.764998 -5.118427 -0.124928
F -0.044610 -4.787755 -1.411800
F 6.341715 -0.540726 1.147644
F 4.877963 -0.483221 2.765163
F 5.382861 1.337805 1.690731
F 4.763721 -1.431162 -3.351782
F 3.448550 0.242044 -3.812907
F 2.630812 -1.765939 -3.661999
C -6.007142 1.533199 2.187942
H -6.331555 2.501041 2.592110
H -6.481413 1.441428 1.200275
H -6.372934 0.730287 2.832485
86
C_Me_EE_2 Eopt -3096.290616
C 3.912352 -0.961433 2.178109
C 2.507352 -1.051920 1.940693
C 4.719724 -2.007258 1.865504
N 1.619855 -0.150217 2.261265
H 2.109558 -1.930220 1.440621
H 4.337917 -0.054791 2.596804
H 4.267303 -2.900827 1.434801
C 0.150838 -0.300326 1.973402
C 1.883000 1.054675 3.065214
C -0.515346 0.721214 2.919781
C -0.180306 -0.149090 0.427600
H -0.104393 -1.323539 2.249685
C 0.588465 1.164367 3.873488
H 2.006612 1.926234 2.415469
H 2.752132 0.928703 3.709461
H -1.352473 0.291051 3.471410
H -0.875086 1.599308 2.383293
F 0.409788 2.412240 4.360345
F 0.668204 0.300949 4.931827
C -1.715115 -0.118151 0.259456
C -2.520054 -0.973762 1.024203
C -2.337689 0.656277 -0.725991
C -3.897758 -1.038534 0.824275
H -2.089402 -1.623113 1.777860
C -3.718194 0.588540 -0.928257
H -1.756626 1.313718 -1.360222
C -4.510188 -0.255063 -0.152997
H -5.580746 -0.307627 -0.311461
C 0.544629 1.100941 -0.118144
C 0.065189 2.409366 0.056205
C 1.780190 0.939404 -0.749908
C 0.798420 3.508026 -0.398504
H -0.895557 2.595619 0.521750
C 2.508613 2.037315 -1.208960
H 2.173727 -0.056300 -0.902411
C 2.027264 3.331948 -1.036369
H 2.591162 4.185819 -1.392896
O 0.360364 -1.328547 -0.161154
Si 0.016093 -2.139347 -1.661153
C -1.673178 -2.974914 -1.596941
H -2.488028 -2.255536 -1.723501
H -1.751541 -3.694251 -2.421521
H -1.852644 -3.524241 -0.666961
C 0.034900 -0.887330 -3.074952
H -0.267022 -1.385388 -4.003376
H -0.679758 -0.074188 -2.913493
H 1.018946 -0.438490 -3.247078
C 1.413122 -3.450770 -1.895584
C 2.803944 -2.823512 -1.652049
H 2.960664 -1.933272 -2.273365
H 2.953717 -2.521873 -0.610059
H 3.605627 -3.526974 -1.909216
C 1.168755 -4.732616 -1.015785
H 0.165197 -5.096519 -1.277666
C 1.342502 -3.848318 -3.396443
H 2.142439 -4.551940 -3.650029
H 0.392500 -4.331779 -3.655780
H 1.470142 -2.983349 -4.054578
C 2.142031 -5.893652 -1.303793
H 3.181214 -5.624220 -1.079578
H 1.888307 -6.753523 -0.673835
H 2.099547 -6.233402 -2.341625
C 1.159695 -4.470137 0.501005
H 2.160225 -4.193229 0.862274
H 0.460016 -3.678128 0.787070
H 0.872632 -5.377948 1.042493
C 3.838971 1.769371 -1.867326
C 0.215077 4.896007 -0.253347
C -4.341713 1.480652 -1.977445
C -4.698470 -2.033887 1.630190
F 4.357882 2.863582 -2.440998
F 3.722642 0.810033 -2.815514
F 4.736750 1.310094 -0.960374
F 1.181636 5.829513 -0.186903
F -0.535462 4.990945 0.865683
F -0.578510 5.198377 -1.298205
F -4.274240 -2.068063 2.913729
F -4.549740 -3.280519 1.131887
F -6.008813 -1.743058 1.630383
F -4.496134 2.736507 -1.511133
F -5.549013 1.031138 -2.359480
F -3.554499 1.554513 -3.073026
C 6.190752 -2.041089 2.062187
H 6.691010 -2.225264 1.101432
H 6.581220 -1.117755 2.496604
H 6.463246 -2.886337 2.709079
86
C_Me_EE_3 Eopt -3096.290400
C 3.772895 -0.881726 2.448080
C 2.377645 -0.974760 2.162390
C 4.575904 -1.955852 2.235934
N 1.486768 -0.046076 2.380777
H 1.991240 -1.882784 1.709013
H 4.193621 0.044641 2.826450
H 4.128477 -2.867539 1.839997
C 0.024893 -0.215410 2.065427
C 1.732885 1.217926 3.094465
C -0.661709 0.877302 2.913302
C -0.256369 -0.184728 0.505383
H -0.241631 -1.214959 2.410882
C 0.418741 1.392661 3.857429
H 1.876251 2.035105 2.381127
H 2.584676 1.142750 3.768979
H -1.512911 0.494148 3.477722
H -1.004499 1.711041 2.300554
F 0.231093 2.674593 4.240696
F 0.468019 0.614071 4.981662
C -1.780240 -0.212371 0.264382
C -2.646035 -0.889218 1.134137
C -2.323573 0.336106 -0.902618
C -4.008105 -0.995387 0.856050
H -2.282354 -1.356396 2.041584
C -3.683176 0.207186 -1.192855
H -1.691283 0.863220 -1.606690
C -4.538667 -0.450992 -0.313174
H -5.596396 -0.536388 -0.531692
C 0.435075 1.053084 -0.108998
C 1.702294 0.914433 -0.682811
C -0.127509 2.338278 -0.058996
C 2.387737 2.018896 -1.193164
H 2.153912 -0.066437 -0.747257
C 0.564882 3.443183 -0.558732
H -1.126851 2.494430 0.330824
C 1.828076 3.292710 -1.131589
H 2.357405 4.149888 -1.530709
O 0.354143 -1.376121 0.019013
Si 0.014517 -2.421597 -1.324737
C -1.596510 -3.358704 -1.021154
H -2.468286 -2.735100 -1.240829
H -1.654161 -4.228456 -1.686818
H -1.699103 -3.726399 0.004863
C -0.179188 -1.436661 -2.928244
H 0.075476 -2.070799 -3.785426
H -1.216798 -1.117036 -3.071487
H 0.457194 -0.548107 -2.985148
C 1.492248 -3.668576 -1.306866
C 1.325358 -4.597373 -2.537050
H 0.363576 -5.121999 -2.517084
H 1.387635 -4.060457 -3.488446
H 2.100928 -5.372789 -2.548268
C 2.905953 -2.980337 -1.301992
H 2.896919 -2.257586 -0.470628
C 1.326827 -4.543052 -0.036840
H 2.023670 -5.388488 -0.041935
H 1.506116 -3.976329 0.887880
H 0.321631 -4.969468 0.035990
C 4.073469 -3.951008 -1.023457
H 5.023286 -3.403176 -1.039789
H 3.994904 -4.453327 -0.053446
H 4.145414 -4.730643 -1.789497
C 3.238123 -2.190779 -2.581517
H 3.383071 -2.860138 -3.436298
H 2.464745 -1.469467 -2.855967
H 4.168567 -1.628661 -2.447595
C -0.043196 4.820955 -0.421963
C 3.724025 1.789151 -1.857362
C -4.183873 0.748734 -2.511008
C -4.885196 -1.777430 1.805648
F 0.276966 5.362374 0.774143
F -1.388486 4.771800 -0.492548
F 0.399054 5.654656 -1.378160
F 4.419411 2.928135 -2.004124
F 3.571966 1.233495 -3.076888
F 4.481971 0.931183 -1.127430
F -4.512223 -1.569796 3.089077
F -4.781867 -3.102876 1.572834
F -6.178623 -1.437686 1.686241
F -5.524118 0.759051 -2.578146
F -3.722866 -0.010395 -3.533824
F -3.739516 2.004450 -2.720630
C 6.036447 -1.997397 2.497745
H 6.265691 -2.799576 3.212823
H 6.572988 -2.257114 1.574892
H 6.425281 -1.052314 2.884191
86
C_Me_EE_7 Eopt -3096.289828
C -3.846617 1.141728 2.268467
C -2.431785 1.166806 2.079016
C -4.566705 2.285852 2.141204
N -1.626791 0.152205 2.243310
H -1.955757 2.092869 1.770130
H -4.348014 0.207735 2.502770
H -4.037247 3.206126 1.892412
C -0.155284 0.229105 1.995820
C -2.038084 -1.175447 2.732164
C 0.419810 -0.880407 2.898684
C 0.191808 0.153842 0.445031
H 0.158498 1.218949 2.325750
C -0.756638 -1.761533 3.350126
H -2.382117 -1.793880 1.899716
H -2.821293 -1.085729 3.485429
H 0.885601 -0.447978 3.786990
H 1.171504 -1.486243 2.394270
F -0.605971 -3.057104 2.964068
F -0.863116 -1.755564 4.709178
C 1.726032 0.077131 0.288572
C 2.327059 -0.671070 -0.730066
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