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The BHPERI 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 38.34 2.9961 38.33 2.9936
2 35.58 4.6647 35.13 4.2109
3 32.42 4.1212 32.61 4.3097
4 44.99 5.4255 44.84 5.2787
5 29.56 1.3822 29.74 1.5563
6 43.21 7.5696 42.02 6.3820
7 30.82 8.6814 27.00 4.8645
8 27.54 9.2758 23.45 5.1909
9 27.13 17.3311 21.10 11.2953
10 30.75 7.2017 30.59 7.0416
11 34.96 8.6625 33.10 6.7961
12 27.56 9.4623 25.59 7.4925
13 22.27 10.0678 19.84 7.6443
14 21.07 9.9657 18.83 7.7264
15 13.42 8.1173 11.10 5.7968
16 12.59 8.5867 10.00 5.9957
17 19.42 7.9174 16.58 5.0838
18 12.38 8.3829 9.29 5.2898
19 5.97 7.3707 2.80 4.2012
20 27.92 12.9320 23.86 8.8790
21 27.13 13.5986 23.17 9.6436
22 32.28 12.4728 28.82 9.0092
23 38.59 13.2400 34.87 9.5188
24 32.43 14.3333 28.61 10.5131
25 32.35 14.1576 28.16 9.9689
26 42.73 14.6535 38.71 10.6333
MD 9.33 6.82
MAD 9.33 6.82
RMSD 10.09 7.26