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IDISP results

Density functional: TPSS1KCIS

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 27.97 13.45 7.08
2 pxylene pc22 h2 2 -1 -2 -60.28 -12.70 -1.82 2.40
3 octane1 octane2 1 -1 -1.21 8.55 3.02 1.94
4 undecan1 undecan2 1 -1 9.10 14.87 4.88 2.36
5 F14f F14l -1 1 -3.64 -3.30 -0.21 0.18
6 F22f F22l -1 1 -1.96 -14.66 0.27 -0.75
MD 3.45 3.26 2.20
MAD 13.67 3.94 2.45
RMSD 15.62 6.02 3.31