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The PCONF 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 -2.03 -2.1728 0.09 -0.0482
2 -0.18 -1.0769 0.81 -0.0934
3 -2.02 -3.1716 1.27 0.1233
4 -0.85 -1.6371 0.79 -0.0046
5 -1.46 -2.7717 1.36 0.0510
6 0.80 -1.0672 1.67 -0.2046
7 1.59 -0.7784 2.16 -0.2124
8 -0.84 -2.9055 2.20 0.1337
9 0.11 -2.4037 1.95 -0.5595
10 0.14 -1.9041 1.81 -0.2329
MD -1.99 -0.10
MAD 1.99 0.17
RMSD 2.14 0.22