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CARBHB12 results

Density functional: M052X

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)
1 1O 1O_A 1O_B -1 1 1 5.370 0.50 0.57
2 2O 2O_A 2O_B -1 1 1 6.047 0.12 0.30
3 3O 3O_A 3O_B -1 1 1 2.421 -0.04 0.01
4 4O 4O_A 4O_B -1 1 1 9.967 -0.03 0.31
5 1N 1N_A 1N_B -1 1 1 2.357 0.01 0.11
6 2N 2N_A 2N_B -1 1 1 3.021 -0.24 -0.00
7 3N 3N_A 3N_B -1 1 1 1.205 -0.22 -0.15
8 4N 4N_A 4N_B -1 1 1 4.177 -0.34 0.06
9 1CL 1CL_A 1CL_B -1 1 1 7.839 0.73 0.79
10 2CL 2CL_A 2CL_B -1 1 1 10.483 0.20 0.33
11 3CL 3CL_A 3CL_B -1 1 1 3.241 -0.26 -0.20
12 4CL 4CL_A 4CL_B -1 1 1 16.296 -0.40 -0.06
MD 0.00 0.17
MAD 0.26 0.24
RMSD 0.33 0.33