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S22 results

Density functional: PW1PW

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. without D3(0)
1 01 01a -1 2 3.133 -0.06 0.49
2 02 02a -1 2 4.989 0.37 0.81
3 03 03a -1 2 18.753 0.92 2.33
4 04 04a -1 2 16.062 -0.16 1.41
5 05 05a -1 2 20.641 -0.82 1.28
6 06 06a 06b -1 1 1 16.934 -0.96 1.45
7 07 07a 07b -1 1 1 16.66 -1.57 1.06
8 08 08a -1 2 0.527 -0.21 0.26
9 09 09a -1 2 1.472 -0.88 0.43
10 10 10a 10b -1 1 1 1.448 -1.09 0.31
11 11 11a -1 2 2.654 -4.06 -0.55
12 12 12a -1 2 4.255 -4.42 -0.78
13 13 13a -1 2 9.805 -5.89 -0.57
14 14 14a 14b -1 1 1 4.524 -6.22 -1.20
15 15 15a 15b -1 1 1 11.73 -8.85 -1.51
16 16 16a 16b -1 1 1 1.496 -0.10 0.52
17 17 17a 17b -1 1 1 3.275 -0.65 0.69
18 18 18a 18b -1 1 1 2.312 -0.96 0.44
19 19 19a 19b -1 1 1 4.541 -1.01 0.72
20 20 20a 20b -1 1 1 2.717 -2.07 0.23
21 21 21a 21b -1 1 1 5.627 -2.95 0.06
22 22 22a 22b -1 1 1 7.097 -2.47 0.20
MD -2.01 0.37
MAD 2.12 0.79
RMSD 3.14 0.95