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AL2X6 results

Density functional: PWPB95

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 -0.39 0.04 0.84
2 al2f6 alf3 -1 2 51.6 -2.17 -1.54 -0.78
3 al2cl6 alcl3 -1 2 32.5 -2.66 -0.94 0.98
4 al2me4 alme2 -1 2 38.4 -1.40 -0.16 0.76
5 al2me5 alme2 alme3 -1 1 1 31.2 -2.02 -0.14 0.85
6 al2me6 alme3 -1 2 23.1 -2.44 0.20 1.24
MD -1.85 -0.42 0.65
MAD 1.85 0.50 0.91
RMSD 2.00 0.75 0.92