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The ALK6 subset - Results for PW6B95

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. J. Chem. Theory Comput. 2011, 7, 291-309.

PW6B95 PW6B95-D3
# Result Res. - Ref. Result Res. - Ref.
1 41.13 2.7305 41.30 2.9041
2 25.95 0.9451 26.53 1.5267
3 18.36 -0.8385 19.26 0.0637
4 91.70 8.5024 92.99 9.7921
5 56.26 1.6567 60.26 5.6630
6 49.15 2.0484 55.52 8.4156
MD 2.51 4.73
MAD 2.79 4.73
RMSD 3.84 5.91