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AL2X6 results

Density functional: O3LYP

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 al2h6 alh3 -1 2 38.5 -1.49 -0.40 3.93
2 al2f6 alf3 -1 2 51.6 -6.24 -4.65 -0.29
3 al2cl6 alcl3 -1 2 32.5 -7.32 -2.91 6.97
4 al2me4 alme2 -1 2 38.4 -3.98 -0.88 3.93
5 al2me5 alme2 alme3 -1 1 1 31.2 -5.71 -0.95 4.94
6 al2me6 alme3 -1 2 23.1 -7.46 -0.82 6.25
MD -5.37 -1.77 4.29
MAD 5.37 1.77 4.38
RMSD 5.76 2.33 4.88