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CARBHB12 results

Density functional: revTPSS0

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 0.39 0.82 0.80
2 2O 2O_A 2O_B -1 1 1 6.047 -0.03 0.76 0.73
3 3O 3O_A 3O_B -1 1 1 2.421 0.02 0.40 0.61
4 4O 4O_A 4O_B -1 1 1 9.967 -0.70 0.72 0.48
5 1N 1N_A 1N_B -1 1 1 2.357 -0.10 0.32 0.32
6 2N 2N_A 2N_B -1 1 1 3.021 -0.42 0.31 0.30
7 3N 3N_A 3N_B -1 1 1 1.205 -0.27 0.15 0.33
8 4N 4N_A 4N_B -1 1 1 4.177 -0.91 0.43 0.30
9 1CL 1CL_A 1CL_B -1 1 1 7.839 1.17 1.77 1.87
10 2CL 2CL_A 2CL_B -1 1 1 10.483 0.23 1.43 1.63
11 3CL 3CL_A 3CL_B -1 1 1 3.241 0.14 0.69 1.08
12 4CL 4CL_A 4CL_B -1 1 1 16.296 -0.98 0.85 0.90
MD -0.12 0.72 0.78
MAD 0.45 0.72 0.78
RMSD 0.59 0.85 0.93