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AL2X6 results

Density functional: PBEh1PBE

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 0.77 4.01
2 al2f6 alf3 -1 2 51.6 -3.46 -2.48 0.79
3 al2cl6 alcl3 -1 2 32.5 -4.27 -1.58 5.99
4 al2me4 alme2 -1 2 38.4 -1.86 0.24 3.98
5 al2me5 alme2 alme3 -1 1 1 31.2 -3.22 -0.05 4.33
6 al2me6 alme3 -1 2 23.1 -4.51 -0.12 4.97
MD -2.87 -0.54 4.01
MAD 2.91 0.87 4.01
RMSD 3.28 1.25 4.32