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The ALK6 subset - Results for B1B95

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.

B1B95 B1B95-D3
# Result Res. - Ref. Result Res. - Ref.
1 39.99 1.5922 40.39 1.9872
2 24.64 -0.3601 25.91 0.9118
3 17.25 -1.9487 19.22 0.0185
4 90.49 7.2933 93.23 10.0257
5 56.27 1.6681 64.76 10.1644
6 49.25 2.1550 62.81 15.7065
MD 1.73 6.47
MAD 2.50 6.47
RMSD 3.34 8.71