Density functional: APFD
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. | APFD | ||
|---|---|---|---|---|---|---|
| 1 | AM2 | AD2 | 2 | -1 | 1.34 | 0.15 |
| 2 | AM3 | AD3 | 2 | -1 | 1.99 | 0.29 |
| 3 | AM4 | AD4 | 2 | -1 | 2.89 | 0.53 |
| 4 | AM5 | AD5 | 2 | -1 | 3.78 | 0.73 |
| 5 | AM6 | AD6 | 2 | -1 | 4.60 | 1.03 |
| 6 | AM7 | AD7 | 2 | -1 | 5.55 | 1.24 |
| MD | 0.66 | |||||
| MAD | 0.66 | |||||
| RMSD | 0.77 | |||||