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IDISP results

Density functional: B3LYP

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 34.73 17.94 12.38
2 pxylene pc22 h2 2 -1 -2 -60.28 -16.34 -4.73 -0.81
3 octane1 octane2 1 -1 -1.21 9.63 3.98 2.85
4 undecan1 undecan2 1 -1 9.10 17.75 7.19 4.60
5 F14f F14l -1 1 -3.64 -3.88 -0.09 0.20
6 F22f F22l -1 1 -1.96 -16.18 0.46 0.59
MD 4.29 4.12 3.30
MAD 16.42 5.73 3.57
RMSD 18.96 8.29 5.53