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IDISP results

Density functional: PBE1KCIS

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 20.84 9.23 4.05
2 pxylene pc22 h2 2 -1 -2 -60.28 -14.82 -5.75 -3.03
3 octane1 octane2 1 -1 -1.21 7.70 2.96 2.78
4 undecan1 undecan2 1 -1 9.10 14.55 6.14 5.08
5 F14f F14l -1 1 -3.64 -3.02 -0.72 -0.12
6 F22f F22l -1 1 -1.96 -12.35 -0.43 -0.97
MD 2.15 1.91 1.30
MAD 12.21 4.21 2.67
RMSD 13.46 5.25 3.16