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NBPRC results

Density functional: revPBE

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.

-0.94 0.59 3.43 6.84 11.34 2.49
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 2.24 0.04 -0.79
2 K_H BH3PH3 H2 1 -1 -1 40.4 -1.62 -0.16 0.43
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 -1.99 -1.27 -0.76
4 K_F BF3PMe3 H2 1 -1 -1 18.5 6.96 2.21 0.72
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 7.38 4.88 2.57
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 17.06 5.61 2.58
-2.67 -4.55
-1.46 -1.73
-0.33 -1.97
2.05 4.53
2.63 -0.43
-0.07 2.74
MD 4.48 0.95 0.28
MAD 5.24 1.95 1.98
RMSD 7.07 2.62 2.43