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S22 results

Density functional: MN15

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(BJ)
1 01 01a -1 2 3.133 0.05 0.05
2 02 02a -1 2 4.989 0.11 0.12
3 03 03a -1 2 18.753 0.04 0.04
4 04 04a -1 2 16.062 -0.78 -0.77
5 05 05a -1 2 20.641 -1.65 -1.61
6 06 06a 06b -1 1 1 16.934 -1.96 -1.92
7 07 07a 07b -1 1 1 16.66 -2.27 -2.21
8 08 08a -1 2 0.527 0.18 0.19
9 09 09a -1 2 1.472 0.61 0.62
10 10 10a 10b -1 1 1 1.448 0.31 0.33
11 11 11a -1 2 2.654 0.54 0.58
12 12 12a -1 2 4.255 -0.07 -0.04
13 13 13a -1 2 9.805 -0.22 -0.18
14 14 14a 14b -1 1 1 4.524 0.45 0.50
15 15 15a 15b -1 1 1 11.73 0.65 0.71
16 16 16a 16b -1 1 1 1.496 -0.04 -0.04
17 17 17a 17b -1 1 1 3.275 0.64 0.65
18 18 18a 18b -1 1 1 2.312 0.39 0.40
19 19 19a 19b -1 1 1 4.541 0.38 0.39
20 20 20a 20b -1 1 1 2.717 -0.15 -0.12
21 21 21a 21b -1 1 1 5.627 -0.43 -0.38
22 22 22a 22b -1 1 1 7.097 -0.41 -0.37
MD -0.16 -0.14
MAD 0.56 0.56
RMSD 0.82 0.81