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The BSR36 subset - Results for B3LYP

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. J. Chem. Theory Comput. 2011, 7, 291-309.

B3LYP B3LYP-D3
# Result Res. - Ref. Result Res. - Ref.
1 2.20 -7.6091 6.84 -2.9713
2 3.84 -5.8157 7.38 -2.2762
3 3.01 -8.3603 7.94 -3.4331
4 2.77 -6.2728 6.57 -2.4732
5 4.42 -4.2902 7.06 -1.6518
6 5.48 -5.4269 8.83 -2.0825
7 4.28 -8.7697 9.68 -3.3674
8 4.91 -6.9847 9.18 -2.7080
9 3.89 -9.6388 9.66 -3.8744
10 2.08 -9.3452 7.83 -3.6046
11 1.20 -11.7662 8.07 -4.9008
12 1.85 -10.9193 8.53 -4.2444
13 3.76 -7.4698 8.32 -2.9063
14 2.27 -7.8909 7.13 -3.0304
15 -1.76 -16.8125 7.88 -7.1730
16 -0.81 -3.1908 -0.45 -2.8281
17 5.54 -5.1346 7.55 -3.1245
18 1.26 -5.0871 2.81 -3.5422
19 7.47 -7.4128 10.84 -4.0357
20 1.60 -9.0509 5.42 -5.2302
21 3.10 -7.0126 5.85 -4.2575
22 0.67 -8.4562 4.29 -4.8392
23 2.98 -7.4962 6.12 -4.3597
24 2.78 -7.0379 5.56 -4.2603
25 4.66 -14.6436 11.00 -8.2975
26 -5.01 -14.6765 2.07 -7.5965
27 2.53 -12.6580 8.18 -7.0094
28 12.80 -13.2518 18.66 -7.3878
29 9.28 -14.1721 15.87 -7.5839
30 10.83 -17.1296 19.26 -8.6950
31 11.58 -13.8276 19.02 -6.3896
32 12.05 -15.5117 16.74 -10.8205
33 17.05 -22.5053 25.97 -13.5863
34 8.64 -23.7789 18.02 -14.4036
35 22.08 -29.3558 35.37 -16.0737
36 20.83 -26.2331 28.68 -18.3828
MD -11.25 -5.93
MAD 11.25 5.93
RMSD 12.86 7.19