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The HEAVY28 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 -0.70 -1.9914 1.16 -0.1343
2 1.43 -0.9867 2.64 0.2246
3 -0.34 -1.7445 1.24 -0.1562
4 -0.33 -1.1808 0.89 0.0358
5 -0.37 -1.5336 1.11 -0.0543
6 -0.51 -1.9265 0.95 -0.4685
7 0.05 -0.6407 0.73 0.0365
8 -1.05 -2.3677 0.94 -0.3777
9 -0.48 -1.1640 0.76 0.0778
10 -0.23 -0.6727 0.30 -0.1445
11 -0.59 -1.3928 0.94 0.1410
12 -0.66 -1.7029 1.31 0.2747
13 -0.96 -2.2506 1.44 0.1543
14 -0.48 -1.1803 0.92 0.2167
15 -0.91 -2.2051 0.69 -0.6124
16 0.90 -0.8007 1.53 -0.1719
17 0.03 -1.1077 0.99 -0.1522
18 1.07 -1.1254 2.10 -0.0954
19 0.84 -1.2258 2.08 0.0121
20 0.23 -1.4074 1.66 0.0243
21 1.49 -1.3114 2.69 -0.1110
22 -0.72 -1.2994 0.60 0.0219
23 0.05 -0.6348 0.70 0.0171
24 -0.57 -1.0664 0.35 -0.1521
25 -0.20 -1.4427 1.07 -0.1673
26 -0.31 -1.5488 1.12 -0.1222
27 -0.42 -1.2591 1.04 0.1951
28 2.17 -1.1204 3.45 0.1587
MD -1.37 -0.05
MAD 1.37 0.16
RMSD 1.44 0.21