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The DC9 subset - Results for PWPB95

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.

PWPB95 PWPB95-D3
# Result Res. - Ref. Result Res. - Ref.
1 -0.12 0.8832 0.01 1.0114
2 -8.17 5.1287 -6.38 6.9229
3 -11.94 2.3630 -11.94 2.3561
4 -12.61 6.5933 -18.02 1.1813
5 -26.38 -6.8847 -26.48 -6.9764
6 -14.61 12.2912 -14.96 11.9384
7 -34.62 3.4823 -35.36 2.7419
8 -100.37 -11.9701 -100.40 -12.0000
9 -99.22 1.7782 -101.75 -0.7539
MD 1.52 0.71
MAD 5.71 5.10
RMSD 6.94 6.66