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S22 results

Density functional: SCAN

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) D3(BJ)
1 01 01a -1 2 3.133 0.08 0.27 0.27
2 02 02a -1 2 4.989 0.62 0.74 0.74
3 03 03a -1 2 18.753 2.18 2.47 2.63
4 04 04a -1 2 16.062 0.58 1.02 1.11
5 05 05a -1 2 20.641 -0.12 0.73 0.77
6 06 06a 06b -1 1 1 16.934 -0.04 1.01 1.05
7 07 07a 07b -1 1 1 16.66 -0.65 0.49 0.54
8 08 08a -1 2 0.527 -0.18 0.13 0.06
9 09 09a -1 2 1.472 -0.44 -0.12 0.02
10 10 10a 10b -1 1 1 1.448 -0.57 0.08 0.05
11 11 11a -1 2 2.654 -1.55 0.21 0.27
12 12 12a -1 2 4.255 -1.55 -0.02 0.13
13 13 13a -1 2 9.805 -1.67 0.64 0.64
14 14 14a 14b -1 1 1 4.524 -2.43 -0.08 0.08
15 15 15a 15b -1 1 1 11.73 -2.90 0.16 0.33
16 16 16a 16b -1 1 1 1.496 -0.12 0.14 0.15
17 17 17a 17b -1 1 1 3.275 0.18 0.75 0.69
18 18 18a 18b -1 1 1 2.312 -0.27 0.38 0.31
19 19 19a 19b -1 1 1 4.541 -0.48 0.02 0.16
20 20 20a 20b -1 1 1 2.717 -1.20 -0.07 -0.08
21 21 21a 21b -1 1 1 5.627 -1.58 -0.09 -0.10
22 22 22a 22b -1 1 1 7.097 -1.09 0.07 0.08
MD -0.60 0.41 0.45
MAD 0.93 0.44 0.47
RMSD 1.24 0.70 0.74