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S22 results

Density functional: M08HX

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 0.11 0.15
2 02 02a -1 2 4.989 0.46 0.48
3 03 03a -1 2 18.753 0.25 0.32
4 04 04a -1 2 16.062 -0.08 0.04
5 05 05a -1 2 20.641 -0.55 -0.17
6 06 06a 06b -1 1 1 16.934 -1.37 -0.94
7 07 07a 07b -1 1 1 16.66 -1.67 -1.17
8 08 08a -1 2 0.527 -0.27 -0.21
9 09 09a -1 2 1.472 0.07 0.18
10 10 10a 10b -1 1 1 1.448 0.08 0.32
11 11 11a -1 2 2.654 0.18 0.69
12 12 12a -1 2 4.255 -0.55 -0.19
13 13 13a -1 2 9.805 -0.69 -0.11
14 14 14a 14b -1 1 1 4.524 -0.04 0.62
15 15 15a 15b -1 1 1 11.73 -0.12 0.71
16 16 16a 16b -1 1 1 1.496 0.04 0.11
17 17 17a 17b -1 1 1 3.275 0.52 0.66
18 18 18a 18b -1 1 1 2.312 0.08 0.26
19 19 19a 19b -1 1 1 4.541 0.60 0.75
20 20 20a 20b -1 1 1 2.717 -0.50 -0.06
21 21 21a 21b -1 1 1 5.627 -0.66 -0.10
22 22 22a 22b -1 1 1 7.097 -0.63 -0.13
MD -0.22 0.10
MAD 0.43 0.38
RMSD 0.60 0.49