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The ALK6 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 41.34 2.9417 41.58 3.1774
2 25.35 0.3540 26.21 1.2084
3 17.63 -1.5657 18.97 -0.2344
4 84.57 1.3713 86.59 3.3938
5 52.10 -2.5019 58.26 3.6571
6 45.84 -1.2595 55.34 8.2440
MD -0.11 3.24
MAD 1.67 3.32
RMSD 1.87 4.17