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The ISOL22 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 25.28 -15.3076 32.37 -8.2180
2 11.70 0.0168 11.40 -0.2844
3 27.71 -7.2292 28.85 -6.0914
4 27.22 1.3314 27.33 1.4433
5 10.49 -8.3043 14.15 -4.6385
6 38.06 19.7647 31.05 12.7512
7 19.55 -2.7631 21.59 -0.7237
8 2.69 -5.2180 3.21 -4.7012
9 42.23 4.1014 42.96 4.8326
10 0.38 -0.5835 0.49 -0.4658
11 30.69 -4.3885 31.14 -3.9372
12 3.07 -2.1252 3.72 -1.4832
13 -2.16 -6.0286 -1.07 -4.9384
14 24.96 2.3661 24.43 1.8360
15 4.32 -6.7465 5.18 -5.8876
16 16.70 -9.3820 18.89 -7.1928
17 19.45 2.4328 18.86 1.8432
18 4.84 0.3244 4.04 -0.4847
19 3.08 -10.2989 4.81 -8.5695
20 -11.19 -11.6748 -6.59 -7.0742
21 18.00 -9.6068 19.26 -8.3518
22 14.30 -1.7491 15.70 -0.3485
MD -3.23 -2.30
MAD 5.99 4.37
RMSD 7.81 5.50