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The ALK6 subset - Results for PBEsol

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.

PBEsol PBEsol-D3
# Result Res. - Ref. Result Res. - Ref.
1 40.60 2.2047 40.69 2.2948
2 25.72 0.7175 26.12 1.1158
3 18.69 -0.5108 19.32 0.1164
4 97.83 14.6265 98.89 15.6940
5 59.36 4.7644 62.53 7.9321
6 49.32 2.2171 54.03 6.9260
MD 4.00 5.68
MAD 4.17 5.68
RMSD 6.42 7.79