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S22 results

Density functional: B3LYP-NL

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

# Systems Stoichiometry Ref. VV10
1 01 01a -1 2 3.133 0.12
2 02 02a -1 2 4.989 0.60
3 03 03a -1 2 18.753 1.78
4 04 04a -1 2 16.062 0.89
5 05 05a -1 2 20.641 0.99
6 06 06a 06b -1 1 1 16.934 0.89
7 07 07a 07b -1 1 1 16.66 0.58
8 08 08a -1 2 0.527 -0.15
9 09 09a -1 2 1.472 -0.32
10 10 10a 10b -1 1 1 1.448 -0.26
11 11 11a -1 2 2.654 -0.54
12 12 12a -1 2 4.255 -0.64
13 13 13a -1 2 9.805 0.09
14 14 14a 14b -1 1 1 4.524 -0.72
15 15 15a 15b -1 1 1 11.73 -0.27
16 16 16a 16b -1 1 1 1.496 -0.00
17 17 17a 17b -1 1 1 3.275 0.03
18 18 18a 18b -1 1 1 2.312 -0.20
19 19 19a 19b -1 1 1 4.541 -0.31
20 20 20a 20b -1 1 1 2.717 -0.44
21 21 21a 21b -1 1 1 5.627 -0.59
22 22 22a 22b -1 1 1 7.097 -0.15
MD 0.06
MAD 0.48
RMSD 0.63