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CHB6 results

Density functional: B2GPPLYP

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 -1.45 -1.49 -1.81
2 23 23A 23B 1 -1 -1 -23.83 -1.22 -1.39 -1.73
3 24 24A 24B 1 -1 -1 -17.83 -0.35 -0.63 -0.99
4 25 25A 25B 1 -1 -1 -39.09 -1.18 -1.35 -2.18
5 26 26A 26B 1 -1 -1 -25.63 -0.98 -1.52 -2.82
6 27 27A 27B 1 -1 -1 -19.90 0.76 -0.01 -1.34
MD -0.74 -1.07 -1.81
MAD 0.99 1.07 1.81
RMSD 1.05 1.20 1.90