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NBPRC results

Density functional: PKZB

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.

0.89 2.69 3.46 7.80 9.52 6.29
# Systems Stoichiometry Ref. without D3(0)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 4.17 -3.06
2 K_H BH3PH3 H2 1 -1 -1 40.4 -3.72 2.80
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 -4.32 0.61
4 K_F BF3PMe3 H2 1 -1 -1 18.5 6.89 -4.74
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 2.39 -1.48
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 17.57 -8.17
-4.64
-2.16
-3.04
3.87
-3.69
5.10
MD 4.47 -1.55
MAD 5.81 3.61
RMSD 7.20 4.07