Phenol / ms-TPES ground + excited state 8-10.6 eV
E I
8.0016 -0.999
8.0204 1.668
8.0448 0.667
8.063 0.001
8.0802 0.667
8.1013 1.667
8.1203 1.334
8.1412 -0.333
8.1621 -0.665
8.1798 1.667
8.2009 5.667
8.2203 3.001
8.2408 2.001
8.2586 -1.664
8.282 13.002
8.2995 10.338
8.3197 10.7729
8.3387 14.339
8.3617 26.007
8.3815 37.013
8.4006 49.356
8.4226 86.352
8.4386 118.713
8.4618 112.387
8.4783 241.073
8.4989 565.892
8.5203 295.239
8.5403 373.236
8.5605 542.937
8.5827 343.985
8.5997 322.678
8.6225 480.677
8.641 457.034
8.662 477.386
8.6831 496.433
8.7009 572.125
8.715 504.838
8.7419 524.851
8.7603 536.534
8.7821 500.222
8.8004 514.3
8.8225 455.969
8.8453 443.734
8.861 442.967
8.8793 516.525
8.9042 412.874
8.9208 362.89
8.9405 397.855
8.9628 312.443
8.9824 256.192
9.0012 314.929
9.0213 359.814
9.0397 312.165
9.0622 326.55
9.081 276.761
9.098 250.773
9.1214 239.79
9.1404 303.22
9.1613 209.426
9.1817 230.523
9.2032 300.411
9.2193 293.403
9.2404 287.074
9.2612 299.2
9.2779 422.61
9.2997 395.166
9.3192 462.465
9.3387 627.647
9.362 736.16
9.3816 846.412
9.3999 891.603
9.4167 836.775
9.4395 606.116
9.4607 694.135
9.4795 632.236
9.5009 620.133
9.5207 635.259
9.5395 611.532
9.5618 662.581
9.5759 503.84
9.5993 561.514
9.619 531.506
9.6391 489.019
9.661 449.377
9.6785 396.811
9.7022 351.109
9.7256 306.768
9.7422 340.139
9.7609 328.27
9.7841 316.351
9.8035 237.238
9.8203 236.56
9.8401 219.382
9.8618 219.304
9.8793 230.157
9.9019 211.233
9.925 184.941
9.9369 167.872
9.9638 175.128
9.9793 195.506
10.003 154.986
10.0199 153.03
10.0361 203.347
10.0584 159.382
10.0776 153.581
10.0957 126.253
10.1163 151.141
10.1402 196.788
10.1613 193.982
10.1787 178.566
10.1986 163.128
10.2187 213.13
10.2423 211.997
10.2595 188.882
10.2823 187.798
10.3031 186.113
10.3208 233.165
10.3377 216.796
10.3585 203.994
10.3761 220.232
10.4005 179.864
10.4197 183.879
10.4396 173.36
10.4603 166.285
10.4782 225.679
10.4999 166.806
10.5209 204.602
10.5427 210.57
10.5604 180.214
10.5819 179.085
10.6061 238.715