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The PA 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.
1 169.97 2.1715 170.03 2.2280
2 198.01 4.6089 198.14 4.7401
3 215.66 5.9555 215.79 6.0912
4 226.86 7.1593 227.00 7.2976
5 212.50 0.6038 212.52 0.6212
6 172.72 1.1239 172.73 1.1338
7 160.31 2.9148 160.36 2.9637
8 158.09 1.2890 158.20 1.3990
9 192.96 0.2566 193.14 0.4418
10 175.40 1.1971 175.44 1.2405
11 138.98 1.1833 139.00 1.1999
12 105.41 -0.8909 105.41 -0.8908
MD 2.30 2.37
MAD 2.45 2.52
RMSD 3.27 3.34