Density functional: M11L
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) | ||||
|---|---|---|---|---|---|---|---|---|---|
| 1 | al2h6 | alh3 | -1 | 2 | 38.5 | -9.12 | -8.48 | ||
| 2 | al2f6 | alf3 | -1 | 2 | 51.6 | -2.75 | -1.82 | ||
| 3 | al2cl6 | alcl3 | -1 | 2 | 32.5 | -7.09 | -4.50 | ||
| 4 | al2me4 | alme2 | -1 | 2 | 38.4 | -9.99 | -8.39 | ||
| 5 | al2me5 | alme2 | alme3 | -1 | 1 | 1 | 31.2 | -9.66 | -7.15 |
| 6 | al2me6 | alme3 | -1 | 2 | 23.1 | -9.73 | -6.21 | ||
| MD | -8.06 | -6.09 | |||||||
| MAD | 8.06 | 6.09 | |||||||
| RMSD | 8.45 | 6.53 | |||||||