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The RG6 subset - Results for HF

All results were obtained with the def2-TZVPP and def2-QZVP basis sets and extrapolated to the CBS limit.
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.

HF HF-D3 HF-D3(BJ)
# Result Res. - Ref. Result Res. - Ref. Result Res. - Ref.
1 -0.07 -0.1482 0.08 0.0041 0.06 -0.0236
2 -0.28 -0.5618 0.21 -0.0736 0.20 -0.0832
3 -0.43 -0.8257 0.34 -0.0587 0.32 -0.0835
4 -0.59 -1.1477 0.53 -0.0270 0.52 -0.0362
5 -0.64 -1.2947 0.69 0.0403 0.63 -0.0225
6 -0.67 -1.4600 0.95 0.1591 0.82 0.0325
MD -0.91 0.01 -0.04
MAD 0.91 0.06 0.05
RMSD 1.01 0.08 0.05