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CARBHB12 results

Density functional: revTPSSh

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.

# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 1O 1O_A 1O_B -1 1 1 5.370 0.31 0.77 0.77
2 2O 2O_A 2O_B -1 1 1 6.047 -0.01 0.83 0.81
3 3O 3O_A 3O_B -1 1 1 2.421 0.04 0.46 0.66
4 4O 4O_A 4O_B -1 1 1 9.967 -0.66 0.86 0.63
5 1N 1N_A 1N_B -1 1 1 2.357 -0.08 0.36 0.37
6 2N 2N_A 2N_B -1 1 1 3.021 -0.39 0.37 0.37
7 3N 3N_A 3N_B -1 1 1 1.205 -0.25 0.20 0.36
8 4N 4N_A 4N_B -1 1 1 4.177 -0.89 0.51 0.41
9 1CL 1CL_A 1CL_B -1 1 1 7.839 1.36 2.03 2.12
10 2CL 2CL_A 2CL_B -1 1 1 10.483 0.52 1.83 1.99
11 3CL 3CL_A 3CL_B -1 1 1 3.241 0.21 0.83 1.15
12 4CL 4CL_A 4CL_B -1 1 1 16.296 -0.92 1.06 1.06
MD -0.06 0.84 0.89
MAD 0.47 0.84 0.89
RMSD 0.62 1.00 1.06