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AL2X6 results

Density functional: PBE

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 0.07 0.70 1.51
2 al2f6 alf3 -1 2 51.6 -7.45 -6.51 -5.76
3 al2cl6 alcl3 -1 2 32.5 -5.85 -3.52 -1.30
4 al2me4 alme2 -1 2 38.4 -2.47 -0.30 0.50
5 al2me5 alme2 alme3 -1 1 1 31.2 -4.08 -0.81 0.32
6 al2me6 alme3 -1 2 23.1 -5.64 -1.17 0.38
MD -4.24 -1.93 -0.72
MAD 4.26 2.17 1.63
RMSD 4.90 3.09 2.50