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CHB6 results

Density functional: B1P86

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 22 22A 22B 1 -1 -1 -34.43 -0.13 -0.20 -0.59
2 23 23A 23B 1 -1 -1 -23.83 0.25 -0.02 -0.28
3 24 24A 24B 1 -1 -1 -17.83 0.72 0.28 0.09
4 25 25A 25B 1 -1 -1 -39.09 -0.14 -0.32 -0.79
5 26 26A 26B 1 -1 -1 -25.63 1.27 0.43 -0.04
6 27 27A 27B 1 -1 -1 -19.90 2.65 1.49 1.21
MD 0.77 0.28 -0.07
MAD 0.86 0.46 0.50
RMSD 1.24 0.66 0.65