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The BHPERI subset - Results for revSSB

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.

revSSB revSSB-D3
# Result Res. - Ref. Result Res. - Ref.
1 37.46 2.1182 37.40 2.0597
2 26.03 -4.8936 25.58 -5.3379
3 22.81 -5.4875 22.76 -5.5445
4 32.04 -7.5165 31.89 -7.6683
5 20.47 -7.7132 20.56 -7.6208
6 30.08 -5.5600 29.35 -6.2940
7 17.45 -4.6873 15.04 -7.1036
8 15.13 -3.1299 12.56 -5.6966
9 13.40 3.6001 9.51 -0.2927
10 28.04 4.4926 27.98 4.4275
11 23.80 -2.5048 22.72 -3.5758
12 16.98 -1.1249 15.76 -2.3372
13 12.27 0.0655 10.79 -1.4113
14 9.20 -1.9026 7.85 -3.2542
15 5.66 0.3583 4.19 -1.1120
16 4.55 0.5521 2.90 -1.0951
17 11.13 -0.3714 9.40 -2.1003
18 4.75 0.7454 2.83 -1.1674
19 0.51 1.9128 -1.55 -0.1514
20 14.84 -0.1402 12.29 -2.6918
21 12.15 -1.3777 9.70 -3.8272
22 19.72 -0.0913 17.50 -2.3089
23 25.37 0.0165 23.01 -2.3396
24 19.58 1.4805 17.24 -0.8568
25 19.42 1.2265 16.88 -1.3085
26 30.08 2.0031 27.61 -0.4682
MD -1.07 -2.66
MAD 2.50 3.16
RMSD 3.37 3.91