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The ALK6 subset - Results for PBE0

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.

PBE0 PBE0-D3
# Result Res. - Ref. Result Res. - Ref.
1 40.72 2.3160 40.86 2.4577
2 25.35 0.3497 25.96 0.9630
3 17.85 -1.3524 18.81 -0.3899
4 90.37 7.1651 92.00 8.8010
5 53.58 -1.0205 58.32 3.7226
6 45.34 -1.7631 52.38 5.2848
MD 0.95 3.47
MAD 2.33 3.60
RMSD 3.24 4.59