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NBPRC results

Density functional: PBEhPBE

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.

-4.84 -2.21 -0.38 1.95 5.96 -0.39
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -2.12 -2.97 -3.03
2 K_H BH3PH3 H2 1 -1 -1 40.4 1.33 1.87 1.81
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 0.67 0.93 0.93
4 K_F BF3PMe3 H2 1 -1 -1 18.5 2.37 0.37 0.07
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 6.18 4.97 3.10
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 6.64 1.58 0.86
-5.60 -6.80
-2.98 -2.77
-2.37 -3.78
-0.38 1.87
1.17 -2.52
-1.65 1.80
MD 1.26 -0.42 -0.71
MAD 2.92 2.24 2.44
RMSD 3.68 2.75 2.96