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IDISP results

Density functional: MPW1B95

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 14.56 5.61 3.57
2 pxylene pc22 h2 2 -1 -2 -60.28 -7.92 -1.66 -1.01
3 octane1 octane2 1 -1 -1.21 3.37 0.25 0.88
4 undecan1 undecan2 1 -1 9.10 4.86 -0.93 -0.24
5 F14f F14l -1 1 -3.64 -0.90 1.20 1.18
6 F22f F22l -1 1 -1.96 -4.80 4.50 2.94
MD 1.53 1.49 1.22
MAD 6.07 2.36 1.64
RMSD 7.45 3.08 2.03