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C60ISO results

Density functional: DSD-PBEP86

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(BJ)
1 1 2 -1 1 37.40 -1.46 -1.25
2 1 3 -1 1 56.87 -3.31 -2.99
3 1 4 -1 1 56.89 -0.66 -0.32
4 1 5 -1 1 69.89 -1.35 -1.04
5 1 6 -1 1 100.48 -14.70 -14.37
6 1 7 -1 1 111.72 -8.98 -8.70
7 1 8 -1 1 142.18 -19.14 -18.90
8 1 9 -1 1 143.96 -12.64 -12.24
9 1 10 -1 1 164.88 -8.45 -8.19
MD -7.86 -7.56
MAD 7.86 7.56
RMSD 10.06 9.82