Density functional: M05
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 | AM2 | AD2 | 2 | -1 | 1.34 | -0.47 | 0.46 |
| 2 | AM3 | AD3 | 2 | -1 | 1.99 | -1.04 | 0.49 |
| 3 | AM4 | AD4 | 2 | -1 | 2.89 | -1.52 | 0.69 |
| 4 | AM5 | AD5 | 2 | -1 | 3.78 | -2.07 | 0.86 |
| 5 | AM6 | AD6 | 2 | -1 | 4.60 | -2.58 | 1.07 |
| 6 | AM7 | AD7 | 2 | -1 | 5.55 | -3.56 | 0.92 |
| MD | -1.87 | 0.75 | |||||
| MAD | 1.87 | 0.75 | |||||
| RMSD | 2.13 | 0.78 | |||||