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NBPRC results

Density functional: HCTH

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.

0.34 1.18 3.60 6.55 12.31 2.03
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 3.86 2.21 -1.26
2 K_H BH3PH3 H2 1 -1 -1 40.4 -2.39 -1.31 0.32
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 -1.75 -1.25 -0.27
4 K_F BF3PMe3 H2 1 -1 -1 18.5 9.61 5.76 -1.56
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 9.83 7.63 -1.93
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 21.87 12.42 0.02
-1.11 -9.91
-0.29 0.61
0.25 -7.56
2.07 7.08
3.54 -6.72
-0.23 8.08
MD 5.59 2.47 -1.09
MAD 6.28 3.17 3.78
RMSD 8.68 4.76 5.20