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The PCONF subset - Results for PWB6K

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. Phys. Chem. Chem. Phys. 2011, DOI: 10.1039/C0CP02984J.

PWB6K PWB6K-D3
# Result Res. - Ref. Result Res. - Ref.
1 -0.02 -0.1609 1.04 0.8965
2 0.42 -0.4765 0.93 0.0316
3 -0.21 -1.3598 1.57 0.4220
4 0.83 0.0442 1.61 0.8215
5 -0.21 -1.5213 1.29 -0.0225
6 1.20 -0.6694 1.65 -0.2218
7 2.01 -0.3557 2.31 -0.0610
8 0.71 -1.3626 2.31 0.2416
9 1.37 -1.1447 2.27 -0.2365
10 2.43 0.3883 3.27 1.2305
MD -0.66 0.31
MAD 0.75 0.42
RMSD 0.91 0.58