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AL2X6 results

Density functional: B1P86

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 -1.09 -0.16 0.62
2 al2f6 alf3 -1 2 51.6 -4.41 -3.03 -2.37
3 al2cl6 alcl3 -1 2 32.5 -5.80 -2.37 0.45
4 al2me4 alme2 -1 2 38.4 -3.27 -0.37 0.67
5 al2me5 alme2 alme3 -1 1 1 31.2 -5.04 -0.62 0.58
6 al2me6 alme3 -1 2 23.1 -6.84 -0.74 0.72
MD -4.41 -1.22 0.11
MAD 4.41 1.22 0.90
RMSD 4.78 1.63 1.12