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The ALK6 subset - Results for BHLYP

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.

BHLYP BHLYP-D3
# Result Res. - Ref. Result Res. - Ref.
1 40.76 2.3576 41.03 2.6318
2 25.31 0.3105 26.28 1.2772
3 17.26 -1.9388 18.77 -0.4348
4 70.10 -13.1044 72.34 -10.8649
5 33.90 -20.7027 40.76 -13.8410
6 27.07 -20.0284 37.74 -9.3640
MD -8.85 -5.10
MAD 9.74 6.40
RMSD 12.98 8.23