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AL2X6 results

Density functional: PW6B95

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 -0.11 0.42 0.98
2 al2f6 alf3 -1 2 51.6 -2.45 -1.68 -1.18
3 al2cl6 alcl3 -1 2 32.5 -3.60 -1.48 0.13
4 al2me4 alme2 -1 2 38.4 -1.77 -0.22 0.50
5 al2me5 alme2 alme3 -1 1 1 31.2 -2.80 -0.44 0.34
6 al2me6 alme3 -1 2 23.1 -3.61 -0.30 0.53
MD -2.39 -0.62 0.22
MAD 2.39 0.76 0.61
RMSD 2.68 0.96 0.71