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CARBHB12 results

Density functional: HSE03

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 1.11 1.47 1.44
2 2O 2O_A 2O_B -1 1 1 6.047 0.82 1.48 1.46
3 3O 3O_A 3O_B -1 1 1 2.421 0.45 0.78 1.00
4 4O 4O_A 4O_B -1 1 1 9.967 0.45 1.67 1.42
5 1N 1N_A 1N_B -1 1 1 2.357 0.39 0.74 0.73
6 2N 2N_A 2N_B -1 1 1 3.021 0.13 0.73 0.74
7 3N 3N_A 3N_B -1 1 1 1.205 0.06 0.42 0.61
8 4N 4N_A 4N_B -1 1 1 4.177 -0.17 0.95 0.84
9 1CL 1CL_A 1CL_B -1 1 1 7.839 2.72 3.24 3.35
10 2CL 2CL_A 2CL_B -1 1 1 10.483 2.37 3.39 3.63
11 3CL 3CL_A 3CL_B -1 1 1 3.241 0.79 1.30 1.72
12 4CL 4CL_A 4CL_B -1 1 1 16.296 1.16 2.74 2.82
MD 0.86 1.58 1.65
MAD 0.89 1.58 1.65
RMSD 1.21 1.85 1.93