Vanillin / Ground-state FC simulation for conformer (I)
E I
8.111 0.0
8.112 0.0
8.113 0.0
8.114 0.0
8.115 0.0
8.116 0.0
8.117 0.0
8.118 0.0
8.119 0.0
8.1199 0.0
8.1209 0.0
8.1219 0.0
8.1229 0.0
8.1239 0.0
8.1249 0.0
8.1259 0.0
8.1269 0.0
8.1279 0.0
8.1289 0.0
8.1299 0.0
8.1309 0.0
8.1319 0.0
8.1328 0.0
8.1338 0.0
8.1348 0.0
8.1358 0.0
8.1368 0.0
8.1378 0.0
8.1388 0.0
8.1398 0.0
8.1408 0.0
8.1418 0.0
8.1428 0.0
8.1438 0.0
8.1447 0.0
8.1457 0.0
8.1467 0.0
8.1477 0.0
8.1487 0.0
8.1497 0.0
8.1507 0.0
8.1517 0.0
8.1527 0.0
8.1537 0.0
8.1547 0.0
8.1557 0.0
8.1566 0.0
8.1576 0.0
8.1586 0.0
8.1596 0.0
8.1606 0.0
8.1616 0.0
8.1626 0.0
8.1636 0.0
8.1646 0.0
8.1656 0.0
8.1666 0.0
8.1676 0.0
8.1685 0.0
8.1695 0.0
8.1705 0.0
8.1715 0.0
8.1725 0.0
8.1735 0.0
8.1745 0.0
8.1755 0.0
8.1765 0.0
8.1775 0.0
8.1785 0.0
8.1795 0.0
8.1804 0.0
8.1814 0.0
8.1824 0.0
8.1834 0.0
8.1844 0.0
8.1854 0.0
8.1864 0.0
8.1874 0.0
8.1884 0.0
8.1894 0.0
8.1904 0.0
8.1914 0.0
8.1923 0.0
8.1933 0.0
8.1943 0.0
8.1953 0.0
8.1963 0.0
8.1973 0.0
8.1983 0.0
8.1993 0.0
8.2003 0.0001
8.2013 0.0001
8.2023 0.0001
8.2033 0.0001
8.2042 0.0001
8.2052 0.0001
8.2062 0.0001
8.2072 0.0002
8.2082 0.0002
8.2092 0.0002
8.2102 0.0002
8.2112 0.0003
8.2122 0.0003
8.2132 0.0004
8.2142 0.0004
8.2152 0.0005
8.2162 0.0006
8.2171 0.0007
8.2181 0.0008
8.2191 0.0009
8.2201 0.001
8.2211 0.0012
8.2221 0.0013
8.2231 0.0015
8.2241 0.0017
8.2251 0.002
8.2261 0.0023
8.2271 0.0026
8.2281 0.0029
8.229 0.0033
8.23 0.0037
8.231 0.0042
8.232 0.0048
8.233 0.0054
8.234 0.0061
8.235 0.0069
8.236 0.0077
8.237 0.0087
8.238 0.0098
8.239 0.011
8.24 0.0124
8.2409 0.0139
8.2419 0.0156
8.2429 0.0174
8.2439 0.0195
8.2449 0.0217
8.2459 0.0242
8.2469 0.027
8.2479 0.03
8.2489 0.0333
8.2499 0.0369
8.2509 0.0408
8.2519 0.0451
8.2529 0.0497
8.2538 0.0548
8.2548 0.0602
8.2558 0.066
8.2568 0.0723
8.2578 0.079
8.2588 0.0861
8.2598 0.0938
8.2608 0.102
8.2618 0.11
8.2628 0.119
8.2638 0.129
8.2648 0.139
8.2657 0.15
8.2667 0.16
8.2677 0.172
8.2687 0.184
8.2697 0.196
8.2707 0.208
8.2717 0.221
8.2727 0.234
8.2737 0.247
8.2747 0.261
8.2757 0.274
8.2767 0.288
8.2776 0.302
8.2786 0.316
8.2796 0.329
8.2806 0.343
8.2816 0.356
8.2826 0.369
8.2836 0.381
8.2846 0.394
8.2856 0.405
8.2866 0.417
8.2876 0.427
8.2886 0.437
8.2895 0.447
8.2905 0.456
8.2915 0.464
8.2925 0.471
8.2935 0.477
8.2945 0.483
8.2955 0.488
8.2965 0.492
8.2975 0.495
8.2985 0.497
8.2995 0.499
8.3005 0.5
8.3015 0.5
8.3024 0.499
8.3034 0.498
8.3044 0.496
8.3054 0.494
8.3064 0.491
8.3074 0.487
8.3084 0.483
8.3094 0.479
8.3104 0.474
8.3114 0.469
8.3124 0.464
8.3134 0.458
8.3143 0.453
8.3153 0.447
8.3163 0.441
8.3173 0.435
8.3183 0.429
8.3193 0.424
8.3203 0.418
8.3213 0.412
8.3223 0.407
8.3233 0.402
8.3243 0.397
8.3253 0.392
8.3262 0.387
8.3272 0.383
8.3282 0.379
8.3292 0.375
8.3302 0.371
8.3312 0.367
8.3322 0.364
8.3332 0.361
8.3342 0.358
8.3352 0.356
8.3362 0.354
8.3372 0.352
8.3382 0.35
8.3391 0.349
8.3401 0.347
8.3411 0.346
8.3421 0.346
8.3431 0.345
8.3441 0.345
8.3451 0.344
8.3461 0.344
8.3471 0.344
8.3481 0.345
8.3491 0.345
8.3501 0.346
8.351 0.346
8.352 0.347
8.353 0.348
8.354 0.349
8.355 0.35
8.356 0.351
8.357 0.353
8.358 0.354
8.359 0.355
8.36 0.356
8.361 0.357
8.362 0.358
8.3629 0.359
8.3639 0.36
8.3649 0.361
8.3659 0.362
8.3669 0.362
8.3679 0.362
8.3689 0.363
8.3699 0.363
8.3709 0.363
8.3719 0.362
8.3729 0.362
8.3739 0.361
8.3749 0.36
8.3758 0.359
8.3768 0.358
8.3778 0.356
8.3788 0.355
8.3798 0.353
8.3808 0.351
8.3818 0.349
8.3828 0.346
8.3838 0.344
8.3848 0.341
8.3858 0.338
8.3868 0.335
8.3877 0.332
8.3887 0.329
8.3897 0.326
8.3907 0.323
8.3917 0.319
8.3927 0.316
8.3937 0.313
8.3947 0.309
8.3957 0.306
8.3967 0.303
8.3977 0.3
8.3987 0.297
8.3996 0.294
8.4006 0.291
8.4016 0.288
8.4026 0.285
8.4036 0.283
8.4046 0.281
8.4056 0.278
8.4066 0.276
8.4076 0.275
8.4086 0.273
8.4096 0.271
8.4106 0.27
8.4116 0.269
8.4125 0.268
8.4135 0.267
8.4145 0.267
8.4155 0.267
8.4165 0.266
8.4175 0.267
8.4185 0.267
8.4195 0.267
8.4205 0.268
8.4215 0.269
8.4225 0.27
8.4235 0.271
8.4244 0.273
8.4254 0.274
8.4264 0.276
8.4274 0.278
8.4284 0.28
8.4294 0.283
8.4304 0.285
8.4314 0.288
8.4324 0.291
8.4334 0.294
8.4344 0.297
8.4354 0.3
8.4363 0.303
8.4373 0.307
8.4383 0.311
8.4393 0.315
8.4403 0.319
8.4413 0.323
8.4423 0.327
8.4433 0.331
8.4443 0.336
8.4453 0.34
8.4463 0.345
8.4473 0.35
8.4482 0.355
8.4492 0.36
8.4502 0.365
8.4512 0.37
8.4522 0.375
8.4532 0.381
8.4542 0.386
8.4552 0.392
8.4562 0.397
8.4572 0.403
8.4582 0.408
8.4592 0.414
8.4602 0.42
8.4611 0.425
8.4621 0.431
8.4631 0.436
8.4641 0.442
8.4651 0.447
8.4661 0.453
8.4671 0.458
8.4681 0.463
8.4691 0.468
8.4701 0.473
8.4711 0.477
8.4721 0.482
8.473 0.486
8.474 0.49
8.475 0.493
8.476 0.497
8.477 0.5
8.478 0.503
8.479 0.505
8.48 0.507
8.481 0.509
8.482 0.51
8.483 0.511
8.484 0.512
8.4849 0.512
8.4859 0.512
8.4869 0.511
8.4879 0.51
8.4889 0.509
8.4899 0.507
8.4909 0.505
8.4919 0.503
8.4929 0.5
8.4939 0.497
8.4949 0.494
8.4959 0.49
8.4969 0.487
8.4978 0.483
8.4988 0.478
8.4998 0.474
8.5008 0.47
8.5018 0.465
8.5028 0.46
8.5038 0.455
8.5048 0.451
8.5058 0.446
8.5068 0.441
8.5078 0.436
8.5088 0.431
8.5097 0.426
8.5107 0.421
8.5117 0.417
8.5127 0.412
8.5137 0.408
8.5147 0.403
8.5157 0.399
8.5167 0.395
8.5177 0.39
8.5187 0.387
8.5197 0.383
8.5207 0.379
8.5216 0.375
8.5226 0.372
8.5236 0.369
8.5246 0.366
8.5256 0.363
8.5266 0.36
8.5276 0.357
8.5286 0.354
8.5296 0.352
8.5306 0.349
8.5316 0.347
8.5326 0.345
8.5336 0.342
8.5345 0.34
8.5355 0.338
8.5365 0.337
8.5375 0.335
8.5385 0.333
8.5395 0.331
8.5405 0.33
8.5415 0.328
8.5425 0.327
8.5435 0.325
8.5445 0.324
8.5455 0.322
8.5464 0.321
8.5474 0.319
8.5484 0.318
8.5494 0.317
8.5504 0.315
8.5514 0.314
8.5524 0.312
8.5534 0.311
8.5544 0.309
8.5554 0.308
8.5564 0.306
8.5574 0.305
8.5583 0.303
8.5593 0.301
8.5603 0.299
8.5613 0.298
8.5623 0.296
8.5633 0.294
8.5643 0.292
8.5653 0.29
8.5663 0.288
8.5673 0.285
8.5683 0.283
8.5693 0.281
8.5702 0.279
8.5712 0.276
8.5722 0.274
8.5732 0.272
8.5742 0.269
8.5752 0.267
8.5762 0.264
8.5772 0.262
8.5782 0.259
8.5792 0.257
8.5802 0.254
8.5812 0.252
8.5822 0.249
8.5831 0.247
8.5841 0.245
8.5851 0.242
8.5861 0.24
8.5871 0.238
8.5881 0.236
8.5891 0.234
8.5901 0.232
8.5911 0.23
8.5921 0.228
8.5931 0.226
8.5941 0.225
8.595 0.223
8.596 0.221
8.597 0.22
8.598 0.219
8.599 0.218
8.6 0.216
8.601 0.215
8.602 0.215
8.603 0.214
8.604 0.213
8.605 0.212
8.606 0.212
8.6069 0.211
8.6079 0.211
8.6089 0.211
8.6099 0.211
8.6109 0.211
8.6119 0.211
8.6129 0.211
8.6139 0.211
8.6149 0.211
8.6159 0.211
8.6169 0.212
8.6179 0.212
8.6189 0.213
8.6198 0.213
8.6208 0.214
8.6218 0.215
8.6228 0.215
8.6238 0.216
8.6248 0.217
8.6258 0.217
8.6268 0.218
8.6278 0.219
8.6288 0.22
8.6298 0.221
8.6308 0.222
8.6317 0.223
8.6327 0.224
8.6337 0.224
8.6347 0.225
8.6357 0.226
8.6367 0.227
8.6377 0.228
8.6387 0.229
8.6397 0.23
8.6407 0.231
8.6417 0.231
8.6427 0.232
8.6436 0.233
8.6446 0.234
8.6456 0.234
8.6466 0.235
8.6476 0.236
8.6486 0.236
8.6496 0.237
8.6506 0.237
8.6516 0.238
8.6526 0.238
8.6536 0.238
8.6546 0.239
8.6556 0.239
8.6565 0.239
8.6575 0.239
8.6585 0.239
8.6595 0.239
8.6605 0.239
8.6615 0.239
8.6625 0.239
8.6635 0.239
8.6645 0.238
8.6655 0.238
8.6665 0.237
8.6675 0.237
8.6684 0.236
8.6694 0.235
8.6704 0.235
8.6714 0.234
8.6724 0.233
8.6734 0.232
8.6744 0.23
8.6754 0.229
8.6764 0.228
8.6774 0.226
8.6784 0.225
8.6794 0.223
8.6803 0.221
8.6813 0.22
8.6823 0.218
8.6833 0.216
8.6843 0.214
8.6853 0.212
8.6863 0.21
8.6873 0.208
8.6883 0.206
8.6893 0.204
8.6903 0.202
8.6913 0.199
8.6923 0.197
8.6932 0.195
8.6942 0.193
8.6952 0.191
8.6962 0.188
8.6972 0.186
8.6982 0.184
8.6992 0.182
8.7002 0.18
8.7012 0.178
8.7022 0.176
8.7032 0.174
8.7042 0.172
8.7051 0.17
8.7061 0.168
8.7071 0.166
8.7081 0.164
8.7091 0.162
8.7101 0.16
8.7111 0.159
8.7121 0.157
8.7131 0.155
8.7141 0.154
8.7151 0.152
8.7161 0.151
8.717 0.149
8.718 0.148
8.719 0.147
8.72 0.145
8.721 0.144
8.722 0.143
8.723 0.141
8.724 0.14
8.725 0.139
8.726 0.138
8.727 0.137
8.728 0.136
8.7289 0.135
8.7299 0.134
8.7309 0.133
8.7319 0.132
8.7329 0.131
8.7339 0.13
8.7349 0.129
8.7359 0.128
8.7369 0.127
8.7379 0.126
8.7389 0.125
8.7399 0.124
8.7409 0.123
8.7418 0.122
8.7428 0.121
8.7438 0.12
8.7448 0.119
8.7458 0.119
8.7468 0.118
8.7478 0.117
8.7488 0.116
8.7498 0.115
8.7508 0.114
8.7518 0.113
8.7528 0.112
8.7537 0.111
8.7547 0.11
8.7557 0.109
8.7567 0.108
8.7577 0.107
8.7587 0.106
8.7597 0.105
8.7607 0.105
8.7617 0.104
8.7627 0.103
8.7637 0.102
8.7647 0.101
8.7656 0.0998
8.7666 0.0989
8.7676 0.098
8.7686 0.0971
8.7696 0.0962
8.7706 0.0953
8.7716 0.0944
8.7726 0.0935
8.7736 0.0927
8.7746 0.0919
8.7756 0.0911
8.7766 0.0903
8.7776 0.0895
8.7785 0.0888
8.7795 0.0881
8.7805 0.0874
8.7815 0.0867
8.7825 0.0861
8.7835 0.0855
8.7845 0.0849
8.7855 0.0843
8.7865 0.0838
8.7875 0.0833
8.7885 0.0828
8.7895 0.0823
8.7904 0.0819
8.7914 0.0815
8.7924 0.0811
8.7934 0.0807
8.7944 0.0804
8.7954 0.08
8.7964 0.0797
8.7974 0.0795
8.7984 0.0792
8.7994 0.079
8.8004 0.0787
8.8014 0.0785
8.8023 0.0783
8.8033 0.0782
8.8043 0.078
8.8053 0.0779
8.8063 0.0777
8.8073 0.0776
8.8083 0.0775
8.8093 0.0774
8.8103 0.0773
8.8113 0.0772
8.8123 0.0771
8.8133 0.0771
8.8143 0.077
8.8152 0.0769
8.8162 0.0769
8.8172 0.0768
8.8182 0.0767
8.8192 0.0767
8.8202 0.0766
8.8212 0.0765
8.8222 0.0765
8.8232 0.0764
8.8242 0.0763
8.8252 0.0762
8.8262 0.0761
8.8271 0.076
8.8281 0.0759
8.8291 0.0757
8.8301 0.0756
8.8311 0.0755
8.8321 0.0753
8.8331 0.0751
8.8341 0.075
8.8351 0.0748
8.8361 0.0746
8.8371 0.0743
8.8381 0.0741
8.839 0.0739
8.84 0.0736
8.841 0.0734
8.842 0.0731
8.843 0.0728
8.844 0.0725
8.845 0.0722
8.846 0.0719
8.847 0.0715
8.848 0.0712
8.849 0.0708
8.85 0.0705
8.851 0.0701
8.8519 0.0697
8.8529 0.0693
8.8539 0.0689
8.8549 0.0684
8.8559 0.068
8.8569 0.0676
8.8579 0.0671
8.8589 0.0666
8.8599 0.0661
8.8609 0.0657
8.8619 0.0651
8.8629 0.0646
8.8638 0.0641
8.8648 0.0636
8.8658 0.063
8.8668 0.0625
8.8678 0.0619
8.8688 0.0614
8.8698 0.0608
8.8708 0.0602
8.8718 0.0596
8.8728 0.059
8.8738 0.0584
8.8748 0.0578
8.8757 0.0572
8.8767 0.0566
8.8777 0.056
8.8787 0.0554
8.8797 0.0548
8.8807 0.0542
8.8817 0.0536
8.8827 0.053
8.8837 0.0524
8.8847 0.0518
8.8857 0.0512
8.8867 0.0506
8.8876 0.05
8.8886 0.0495
8.8896 0.0489
8.8906 0.0483
8.8916 0.0478
8.8926 0.0472
8.8936 0.0467
8.8946 0.0461
8.8956 0.0456
8.8966 0.0451
8.8976 0.0446
8.8986 0.0441
8.8996 0.0436
8.9005 0.0432
8.9015 0.0427
8.9025 0.0422
8.9035 0.0418
8.9045 0.0413
8.9055 0.0409
8.9065 0.0405
8.9075 0.0401
8.9085 0.0397
8.9095 0.0393
8.9105 0.0389
8.9115 0.0385
8.9124 0.0381
8.9134 0.0378
8.9144 0.0374
8.9154 0.037
8.9164 0.0367
8.9174 0.0363
8.9184 0.036
8.9194 0.0357
8.9204 0.0353
8.9214 0.035
8.9224 0.0347
8.9234 0.0344
8.9243 0.0341
8.9253 0.0338
8.9263 0.0335
8.9273 0.0332
8.9283 0.0329
8.9293 0.0326
8.9303 0.0323
8.9313 0.032
8.9323 0.0317
8.9333 0.0314
8.9343 0.0311
8.9353 0.0309
8.9363 0.0306
8.9372 0.0303
8.9382 0.03
8.9392 0.0297
8.9402 0.0295
8.9412 0.0292
8.9422 0.0289
8.9432 0.0286
8.9442 0.0284
8.9452 0.0281
8.9462 0.0278
8.9472 0.0275
8.9482 0.0273
8.9491 0.027
8.9501 0.0267
8.9511 0.0265
8.9521 0.0262
8.9531 0.0259
8.9541 0.0257
8.9551 0.0254
8.9561 0.0252
8.9571 0.0249
8.9581 0.0247
8.9591 0.0244
8.9601 0.0242
8.961 0.024
8.962 0.0237
8.963 0.0235
8.964 0.0233
8.965 0.0231
8.966 0.0228
8.967 0.0226
8.968 0.0224
8.969 0.0222
8.97 0.022
8.971 0.0219
8.972 0.0217
8.973 0.0215
8.9739 0.0213
8.9749 0.0212
8.9759 0.021
8.9769 0.0208
8.9779 0.0207
8.9789 0.0205
8.9799 0.0204
8.9809 0.0203
8.9819 0.0201
8.9829 0.02
8.9839 0.0199
8.9849 0.0198
8.9858 0.0196
8.9868 0.0195
8.9878 0.0194
8.9888 0.0193
8.9898 0.0192
8.9908 0.0191
8.9918 0.019
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