back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to S22 main page   back to ωB97X-V main page

S22 results

Density functional: ωB97X-V

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. ωB97X-V
1 01 01a -1 2 3.133 -0.03
2 02 02a -1 2 4.989 0.18
3 03 03a -1 2 18.753 0.61
4 04 04a -1 2 16.062 -0.12
5 05 05a -1 2 20.641 -0.44
6 06 06a 06b -1 1 1 16.934 -0.47
7 07 07a 07b -1 1 1 16.66 -0.64
8 08 08a -1 2 0.527 -0.01
9 09 09a -1 2 1.472 -0.04
10 10 10a 10b -1 1 1 1.448 -0.04
11 11 11a -1 2 2.654 -0.11
12 12 12a -1 2 4.255 -0.34
13 13 13a -1 2 9.805 0.15
14 14 14a 14b -1 1 1 4.524 -0.37
15 15 15a 15b -1 1 1 11.73 -0.11
16 16 16a 16b -1 1 1 1.496 0.06
17 17 17a 17b -1 1 1 3.275 0.26
18 18 18a 18b -1 1 1 2.312 0.05
19 19 19a 19b -1 1 1 4.541 0.07
20 20 20a 20b -1 1 1 2.717 -0.12
21 21 21a 21b -1 1 1 5.627 -0.28
22 22 22a 22b -1 1 1 7.097 -0.41
MD -0.10
MAD 0.22
RMSD 0.29