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The ISO34 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 -0.48 -2.0998 -0.45 -2.0661
2 24.10 2.2175 23.97 2.0919
3 8.02 0.8224 8.05 0.8484
4 1.28 0.2882 1.13 0.1433
5 0.56 -0.3684 0.95 0.0178
6 2.90 0.2803 2.59 -0.0321
7 13.89 2.7437 13.78 2.6275
8 21.42 -1.4806 21.52 -1.3820
9 7.37 0.4305 7.12 0.1823
10 1.15 -2.4309 2.44 -1.1395
11 -7.01 -8.9187 -2.63 -4.5413
12 55.78 8.8333 55.25 8.2953
13 39.47 3.4337 38.67 2.6328
14 22.45 -1.7547 22.37 -1.8329
15 7.50 0.2438 7.64 0.3836
16 11.32 0.5057 11.33 0.5173
17 26.98 -0.0009 27.50 0.5214
18 12.47 1.3066 12.18 1.0246
19 4.97 0.3683 5.00 0.4038
20 19.61 -0.6168 19.52 -0.7070
21 1.24 0.3022 1.13 0.1920
22 3.77 0.5361 3.83 0.6035
23 4.92 -0.3362 5.08 -0.1819
24 10.89 -1.6325 10.93 -1.5945
25 27.93 1.4414 27.96 1.4733
26 16.68 -1.4835 16.52 -1.6381
27 66.82 2.6499 67.35 3.1759
28 32.44 1.2184 32.43 1.2080
29 11.86 -0.0414 11.79 -0.1086
30 10.51 1.0111 10.31 0.8141
31 13.47 -0.5788 13.79 -0.2565
32 6.19 -0.9122 6.09 -1.0143
33 10.37 4.7545 9.12 3.4979
34 6.30 -0.9553 6.33 -0.9260
MD 0.29 0.39
MAD 1.68 1.41
RMSD 2.67 2.14