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S22 results

Density functional: M052X

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 0.00 0.12
2 02 02a -1 2 4.989 0.31 0.39
3 03 03a -1 2 18.753 1.12 1.29
4 04 04a -1 2 16.062 0.02 0.31
5 05 05a -1 2 20.641 -0.62 0.02
6 06 06a 06b -1 1 1 16.934 -1.37 -0.59
7 07 07a 07b -1 1 1 16.66 -1.61 -0.77
8 08 08a -1 2 0.527 -0.00 0.18
9 09 09a -1 2 1.472 -0.08 0.13
10 10 10a 10b -1 1 1 1.448 -0.30 0.20
11 11 11a -1 2 2.654 -1.24 -0.02
12 12 12a -1 2 4.255 -1.39 -0.38
13 13 13a -1 2 9.805 -1.39 0.13
14 14 14a 14b -1 1 1 4.524 -2.07 -0.45
15 15 15a 15b -1 1 1 11.73 -2.23 -0.17
16 16 16a 16b -1 1 1 1.496 -0.02 0.17
17 17 17a 17b -1 1 1 3.275 0.43 0.79
18 18 18a 18b -1 1 1 2.312 -0.06 0.40
19 19 19a 19b -1 1 1 4.541 0.38 0.74
20 20 20a 20b -1 1 1 2.717 -0.78 0.09
21 21 21a 21b -1 1 1 5.627 -0.91 0.20
22 22 22a 22b -1 1 1 7.097 -1.08 -0.20
MD -0.59 0.12
MAD 0.79 0.35
RMSD 1.04 0.47