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IDISP results

Density functional: BPBE

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 30.33 7.64 0.60
2 pxylene pc22 h2 2 -1 -2 -60.28 -11.34 5.12 9.22
3 octane1 octane2 1 -1 -1.21 9.74 1.94 1.09
4 undecan1 undecan2 1 -1 9.10 17.19 2.93 0.33
5 F14f F14l -1 1 -3.64 -4.46 0.44 0.91
6 F22f F22l -1 1 -1.96 -19.46 3.74 2.55
MD 3.67 3.63 2.45
MAD 15.42 3.63 2.45
RMSD 17.50 4.30 3.96