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IDISP results

Density functional: TPSS0

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 antdimer ant 1 -2 -9.15 20.02 6.06 2.30
2 pxylene pc22 h2 2 -1 -2 -60.28 -12.23 -2.82 -0.10
3 octane1 octane2 1 -1 -1.21 7.04 2.56 1.79
4 undecan1 undecan2 1 -1 9.10 12.10 3.64 1.88
5 F14f F14l -1 1 -3.64 -2.78 0.44 0.53
6 F22f F22l -1 1 -1.96 -12.83 0.89 0.61
MD 1.88 1.79 1.17
MAD 11.17 2.73 1.20
RMSD 12.37 3.30 1.46