back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to NBPRC main page   back to OLYP main page

NBPRC results

Density functional: OLYP

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.

1.95 2.88 6.09 10.18 16.29 4.62
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 5.10 0.41 -1.39
2 K_H BH3PH3 H2 1 -1 -1 40.4 -3.76 -0.58 0.86
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 -3.25 -1.43 -0.40
4 K_F BF3PMe3 H2 1 -1 -1 18.5 10.21 1.46 -2.27
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 8.14 3.99 -0.23
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 24.94 5.12 -2.41
-1.31 -5.13
-1.30 -2.21
0.52 -2.67
3.07 5.08
2.86 -2.41
1.26 4.12
MD 6.95 1.17 -0.75
MAD 8.12 1.94 2.43
RMSD 10.34 2.41 2.90