back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to S22 main page   back to DSD-PBEP86 main page

S22 results

Density functional: DSD-PBEP86

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 -0.04 0.21
2 02 02a -1 2 4.989 0.06 0.24
3 03 03a -1 2 18.753 -0.17 0.51
4 04 04a -1 2 16.062 -0.53 0.17
5 05 05a -1 2 20.641 -1.07 -0.14
6 06 06a 06b -1 1 1 16.934 -0.79 0.31
7 07 07a 07b -1 1 1 16.66 -1.25 -0.07
8 08 08a -1 2 0.527 0.02 0.25
9 09 09a -1 2 1.472 -0.46 0.07
10 10 10a 10b -1 1 1 1.448 -0.35 0.23
11 11 11a -1 2 2.654 -1.06 0.67
12 12 12a -1 2 4.255 -1.18 0.59
13 13 13a -1 2 9.805 -2.14 0.28
14 14 14a 14b -1 1 1 4.524 -1.69 0.76
15 15 15a 15b -1 1 1 11.73 -2.75 0.65
16 16 16a 16b -1 1 1 1.496 -0.14 0.14
17 17 17a 17b -1 1 1 3.275 -0.28 0.30
18 18 18a 18b -1 1 1 2.312 -0.35 0.24
19 19 19a 19b -1 1 1 4.541 -0.39 0.37
20 20 20a 20b -1 1 1 2.717 -0.78 0.22
21 21 21a 21b -1 1 1 5.627 -1.06 0.30
22 22 22a 22b -1 1 1 7.097 -1.05 0.04
MD -0.79 0.29
MAD 0.80 0.31
RMSD 1.06 0.37