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AL2X6 results

Density functional: PBEhPBE

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 -0.30 0.53 4.06
2 al2f6 alf3 -1 2 51.6 -7.18 -5.97 -2.49
3 al2cl6 alcl3 -1 2 32.5 -6.22 -2.87 4.59
4 al2me4 alme2 -1 2 38.4 -2.81 -0.55 3.44
5 al2me5 alme2 alme3 -1 1 1 31.2 -4.58 -1.09 3.58
6 al2me6 alme3 -1 2 23.1 -6.29 -1.39 4.02
MD -4.56 -1.89 2.87
MAD 4.56 2.07 3.69
RMSD 5.14 2.82 3.75