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CARBHB12 results

Density functional: HSE06

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 1.00 1.32 1.31
2 2O 2O_A 2O_B -1 1 1 6.047 0.72 1.35 1.34
3 3O 3O_A 3O_B -1 1 1 2.421 0.39 0.62 0.81
4 4O 4O_A 4O_B -1 1 1 9.967 0.33 1.38 1.29
5 1N 1N_A 1N_B -1 1 1 2.357 0.33 0.65 0.66
6 2N 2N_A 2N_B -1 1 1 3.021 0.06 0.65 0.68
7 3N 3N_A 3N_B -1 1 1 1.205 0.02 0.30 0.50
8 4N 4N_A 4N_B -1 1 1 4.177 -0.26 0.85 0.78
9 1CL 1CL_A 1CL_B -1 1 1 7.839 2.60 2.92 3.09
10 2CL 2CL_A 2CL_B -1 1 1 10.483 2.25 3.04 3.30
11 3CL 3CL_A 3CL_B -1 1 1 3.241 0.72 0.99 1.37
12 4CL 4CL_A 4CL_B -1 1 1 16.296 1.00 2.19 2.48
MD 0.76 1.35 1.47
MAD 0.81 1.35 1.47
RMSD 1.13 1.61 1.73