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C60ISO results

Density functional: PBEh1PBE

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 1 2 -1 1 37.40 2.21 2.23 2.54
2 1 3 -1 1 56.87 2.06 2.08 2.57
3 1 4 -1 1 56.89 2.67 2.73 3.24
4 1 5 -1 1 69.89 3.16 3.16 3.63
5 1 6 -1 1 100.48 -2.61 -2.80 -2.23
6 1 7 -1 1 111.72 1.71 1.40 1.93
7 1 8 -1 1 142.18 -3.01 -3.42 -2.91
8 1 9 -1 1 143.96 0.89 0.53 1.27
9 1 10 -1 1 164.88 3.52 2.84 3.44
MD 1.18 0.97 1.50
MAD 2.43 2.35 2.64
RMSD 2.54 2.51 2.73