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AL2X6 results

Density functional: B3LYP

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 -5.02 -3.90 -2.25
2 al2f6 alf3 -1 2 51.6 -6.73 -5.06 -3.48
3 al2cl6 alcl3 -1 2 32.5 -10.83 -6.37 -2.01
4 al2me4 alme2 -1 2 38.4 -7.37 -3.98 -2.18
5 al2me5 alme2 alme3 -1 1 1 31.2 -10.49 -5.32 -2.88
6 al2me6 alme3 -1 2 23.1 -13.84 -6.67 -3.46
MD -9.05 -5.22 -2.71
MAD 9.05 5.22 2.71
RMSD 9.52 5.32 2.78