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IDISP results

Density functional: XLYP

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 46.32 27.22 18.30
2 pxylene pc22 h2 2 -1 -2 -60.28 -15.88 -1.67 4.88
3 octane1 octane2 1 -1 -1.21 11.35 3.96 1.65
4 undecan1 undecan2 1 -1 9.10 20.48 6.82 2.38
5 F14f F14l -1 1 -3.64 -4.40 -0.07 0.12
6 F22f F22l -1 1 -1.96 -18.57 1.96 0.18
MD 6.55 6.37 4.58
MAD 19.50 6.95 4.58
RMSD 23.49 11.62 7.82