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The ISOL22 subset - Results for LC-ωPBE

All results were obtained with the def2-QZVP basis set.
For each data point of the subset, the actual result in Eh and the
deviation from the reference value (Res. - Ref.; in kcal/mol) are given.
At the end of the table, mean (MD), mean absolute (MAD) and root mean square (RMSD) deviations are shown.
The results were published in: Goerigk, L.; Grimme, S. Phys. Chem. Chem. Phys. 2011, DOI: 10.1039/C0CP02984J.

LC-ωPBE LC-ωPBE-D3
# Result Res. - Ref. Result Res. - Ref.
1 42.16 1.5669 48.73 8.1363
2 13.24 1.5625 12.96 1.2772
3 44.12 9.1788 45.14 10.1953
4 35.62 9.7322 35.64 9.7518
5 19.80 1.0139 23.18 4.3897
6 6.23 -12.0736 -0.29 -18.5861
7 19.22 -3.0882 21.08 -1.2275
8 6.04 -1.8749 6.50 -1.4143
9 46.54 8.4149 47.18 9.0501
10 -0.59 -1.5543 -0.48 -1.4437
11 30.53 -4.5542 30.92 -4.1638
12 4.12 -1.0778 4.73 -0.4705
13 -1.23 -5.1012 -0.24 -4.1104
14 22.58 -0.0128 22.07 -0.5197
15 22.02 10.9457 22.80 11.7320
16 20.49 -5.5862 22.49 -3.5879
17 11.66 -5.3649 11.15 -5.8690
18 5.44 0.9183 4.67 0.1528
19 16.55 3.1658 18.10 4.7228
20 -3.02 -3.5013 1.29 0.8055
21 27.43 -0.1815 28.58 0.9730
22 13.86 -2.1867 15.16 -0.8885
MD 0.02 0.86
MAD 4.21 4.70
RMSD 5.53 6.62