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NBPRC results

Density functional: PBEh1PBE

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.

-3.85 -1.99 -0.48 0.82 3.55 -1.50
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -2.12 -2.79 -2.86
2 K_H BH3PH3 H2 1 -1 -1 40.4 2.74 3.17 3.13
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 4.44 4.64 4.64
4 K_F BF3PMe3 H2 1 -1 -1 18.5 -0.33 -1.97 -2.27
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 5.93 4.84 3.22
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 2.07 -2.23 -2.96
-4.51 -5.52
-2.59 -2.50
-2.40 -3.54
-0.90 0.73
-0.60 -4.36
-2.44 0.46
MD 0.77 -0.65 -0.99
MAD 2.48 2.76 3.02
RMSD 2.97 3.05 3.33