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NBPRC results

Density functional: BPBE

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.

-2.52 -0.28 2.76 5.87 9.93 1.85
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 0.29 -1.42 -1.99
2 K_H BH3PH3 H2 1 -1 -1 40.4 -0.64 0.45 0.79
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 -0.99 -0.46 -0.15
4 K_F BF3PMe3 H2 1 -1 -1 18.5 4.52 0.45 -0.60
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 5.39 2.94 0.52
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 12.53 2.13 0.05
-4.09 -5.74
-1.67 -1.99
-1.41 -2.84
1.73 4.41
0.29 -2.79
0.26 3.04
MD 3.23 -0.07 -0.61
MAD 3.96 1.44 2.08
RMSD 5.46 1.84 2.69