back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to S22 main page   back to MN15L main page

S22 results

Density functional: MN15L

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 -0.14 -0.14
2 02 02a -1 2 4.989 -0.77 -0.77
3 03 03a -1 2 18.753 -3.07 -3.07
4 04 04a -1 2 16.062 -3.00 -3.00
5 05 05a -1 2 20.641 -3.83 -3.83
6 06 06a 06b -1 1 1 16.934 -4.12 -4.11
7 07 07a 07b -1 1 1 16.66 -4.20 -4.19
8 08 08a -1 2 0.527 0.47 0.47
9 09 09a -1 2 1.472 1.25 1.25
10 10 10a 10b -1 1 1 1.448 0.71 0.71
11 11 11a -1 2 2.654 2.43 2.43
12 12 12a -1 2 4.255 1.51 1.51
13 13 13a -1 2 9.805 2.88 2.88
14 14 14a 14b -1 1 1 4.524 3.13 3.13
15 15 15a 15b -1 1 1 11.73 5.26 5.26
16 16 16a 16b -1 1 1 1.496 -0.15 -0.15
17 17 17a 17b -1 1 1 3.275 0.90 0.90
18 18 18a 18b -1 1 1 2.312 0.80 0.80
19 19 19a 19b -1 1 1 4.541 0.46 0.46
20 20 20a 20b -1 1 1 2.717 0.18 0.19
21 21 21a 21b -1 1 1 5.627 0.33 0.33
22 22 22a 22b -1 1 1 7.097 -0.37 -0.36
MD 0.03 0.03
MAD 1.82 1.82
RMSD 2.40 2.40