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NBPRC results

Density functional: revTPSS

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.

-0.72 -3.39 1.48 1.15 7.29 -0.91
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -0.40 -1.28 -1.68
2 K_H BH3PH3 H2 1 -1 -1 40.4 -1.93 -1.37 -1.11
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 -1.28 -1.02 -0.80
4 K_F BF3PMe3 H2 1 -1 -1 18.5 1.45 -0.67 -1.37
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 -2.26 -3.63 -4.79
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 6.90 1.40 0.01
-1.56 -2.43
-4.17 -4.37
-0.90 -1.53
-1.09 0.25
2.03 0.69
-2.09 -0.47
MD 0.62 -1.20 -1.47
MAD 2.43 1.77 1.62
RMSD 3.29 2.05 2.19