back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to AL2X6 main page   back to MN15 main page

AL2X6 results

Density functional: MN15

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(BJ)
1 al2h6 alh3 -1 2 38.5 3.06 3.07
2 al2f6 alf3 -1 2 51.6 0.78 0.78
3 al2cl6 alcl3 -1 2 32.5 0.29 0.29
4 al2me4 alme2 -1 2 38.4 1.87 1.89
5 al2me5 alme2 alme3 -1 1 1 31.2 1.40 1.42
6 al2me6 alme3 -1 2 23.1 1.32 1.35
MD 1.45 1.47
MAD 1.45 1.47
RMSD 1.70 1.71