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The SCONF 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 0.88 0.0523 0.71 -0.1166 0.79 -0.0383
2 -0.11 -2.7083 0.71 -1.8918 1.81 -0.7920
3 0.70 -2.6741 1.32 -2.0534 2.51 -0.8554
4 1.43 -3.4387 2.10 -2.7699 3.86 -1.0085
5 1.59 -3.5876 2.33 -2.8453 4.26 -0.9249
6 1.21 -3.2602 1.52 -2.9472 3.36 -1.1150
7 1.42 -3.2583 1.78 -2.8954 3.69 -0.9870
8 1.86 -4.8314 2.90 -3.7929 5.42 -1.2681
9 1.74 -5.0149 2.81 -3.9443 5.31 -1.4437
10 2.19 -3.8938 3.04 -3.0364 4.94 -1.1395
11 2.11 -3.9372 2.95 -3.1042 4.78 -1.2726
12 2.99 -3.1801 3.05 -3.1239 4.92 -1.2475
13 2.82 -3.9311 3.75 -2.9952 5.85 -0.8950
14 2.96 -3.7528 3.63 -3.0818 5.71 -1.0036
15 0.65 0.3836 0.45 0.1816 -0.06 -0.3286
16 12.55 6.6324 9.49 3.5667 7.60 1.6760
17 12.34 7.0456 9.38 4.0854 7.73 2.4392
MD -1.96 -1.81 -0.60
MAD 3.62 2.73 1.08
RMSD 4.01 2.94 1.20