back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to IDISP main page   back to APFD main page

IDISP results

Density functional: APFD

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. APFD
1 antdimer ant 1 -2 -9.15 -0.78
2 pxylene pc22 h2 2 -1 -2 -60.28 0.53
3 octane1 octane2 1 -1 -1.21 2.68
4 undecan1 undecan2 1 -1 9.10 3.93
5 F14f F14l -1 1 -3.64 0.68
6 F22f F22l -1 1 -1.96 2.96
MD 1.66
MAD 1.92
RMSD 2.33