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The DC9 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 -0.16 0.8357 0.02 1.0247
2 -23.80 -10.4957 -21.12 -7.8183
3 -12.39 1.9124 -12.40 1.9020
4 -5.63 13.5737 -13.35 5.8532
5 -9.81 9.6902 -10.03 9.4716
6 -24.47 2.4296 -24.98 1.9201
7 -31.37 6.7318 -32.45 5.6463
8 -97.99 -9.5905 -98.03 -9.6340
9 -86.90 14.1003 -90.63 10.3719
MD 3.24 2.08
MAD 7.71 5.96
RMSD 9.03 6.88