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The PA subset - Results for B2PLYP

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.

B2PLYP B2PLYP-D3
# Result Res. - Ref. Result Res. - Ref.
1 167.96 0.1564 168.02 0.2235
2 196.54 3.1350 196.69 3.2863
3 214.09 4.3928 214.25 4.5473
4 225.23 5.5267 225.38 5.6838
5 211.41 -0.4897 211.43 -0.4691
6 171.33 -0.2702 171.34 -0.2584
7 157.33 -0.0678 157.39 -0.0099
8 156.98 0.1791 157.11 0.3105
9 193.59 0.8892 193.81 1.1092
10 174.56 0.3647 174.62 0.4162
11 137.98 0.1774 138.00 0.1971
12 105.08 -1.2191 105.08 -1.2190
MD 1.06 1.15
MAD 1.41 1.48
RMSD 2.28 2.37