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The AL2X subset - Results for B3PW91

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.

B3PW91 B3PW91-D3
# Result Res. - Ref. Result Res. - Ref.
1 36.52 0.7226 37.84 2.0407
2 44.90 -7.7023 46.84 -5.7566
3 25.09 -6.3059 30.07 -1.3350
4 21.69 -6.7056 28.57 0.1740
5 34.09 -3.7147 37.94 0.1376
6 24.74 -5.2597 30.66 0.6638
7 14.41 -6.9895 22.63 1.2278
MD -5.14 -0.41
MAD 5.34 1.62
RMSD 5.79 2.42