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IDISP results

Density functional: OPBE

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 27.69 -4.65 -14.74
2 pxylene pc22 h2 2 -1 -2 -60.28 -15.54 8.40 14.40
3 octane1 octane2 1 -1 -1.21 15.48 2.43 -0.10
4 undecan1 undecan2 1 -1 9.10 29.05 3.89 -0.83
5 F14f F14l -1 1 -3.64 -7.05 0.09 0.61
6 F22f F22l -1 1 -1.96 -33.18 0.38 0.78
MD 2.74 1.75 0.02
MAD 21.33 3.31 5.24
RMSD 23.25 4.35 8.43