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The ALK6 subset - Results for M06HF

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), root mean square (RMSD),
The results were published in: Goerigk, L.; Grimme, S. Phys. Chem. Chem. Phys. 2011, DOI: 10.1039/C0CP02984J.

M06HF M06HF-D3
# Result Res. - Ref. Result Res. - Ref.
1 49.08 10.6770 49.06 10.6566
2 31.72 6.7236 31.71 6.7117
3 22.75 3.5458 22.73 3.5337
4 77.13 -6.0706 77.20 -5.9978
5 49.35 -5.2473 49.55 -5.0459
6 44.71 -2.3928 44.93 -2.1743
MD 1.21 1.28
MAD 5.78 5.69
RMSD 6.35 6.29