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AL2X6 results

Density functional: B97-1

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 -1.53 -0.59 2.74
2 al2f6 alf3 -1 2 51.6 -5.51 -4.14 -0.96
3 al2cl6 alcl3 -1 2 32.5 -6.41 -2.60 3.48
4 al2me4 alme2 -1 2 38.4 -3.43 -1.10 2.49
5 al2me5 alme2 alme3 -1 1 1 31.2 -5.38 -1.71 2.56
6 al2me6 alme3 -1 2 23.1 -7.29 -2.12 2.92
MD -4.93 -2.04 2.21
MAD 4.93 2.04 2.52
RMSD 5.29 2.34 2.64