Density functional: N12
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 | -2.82 | -0.47 |
| 2 | AM3 | AD3 | 2 | -1 | 1.99 | -3.88 | -0.24 |
| 3 | AM4 | AD4 | 2 | -1 | 2.89 | -5.63 | -0.39 |
| 4 | AM5 | AD5 | 2 | -1 | 3.78 | -7.17 | -0.27 |
| 5 | AM6 | AD6 | 2 | -1 | 4.60 | -8.66 | -0.11 |
| 6 | AM7 | AD7 | 2 | -1 | 5.55 | -10.32 | 0.20 |
| MD | -6.41 | -0.21 | |||||
| MAD | 6.41 | 0.28 | |||||
| RMSD | 6.92 | 0.31 | |||||