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 | 1 | 2 | -1 | 1 | 37.40 | 1.74 |
| 2 | 1 | 3 | -1 | 1 | 56.87 | 1.30 |
| 3 | 1 | 4 | -1 | 1 | 56.89 | 1.98 |
| 4 | 1 | 5 | -1 | 1 | 69.89 | 2.20 |
| 5 | 1 | 6 | -1 | 1 | 100.48 | -4.71 |
| 6 | 1 | 7 | -1 | 1 | 111.72 | -0.77 |
| 7 | 1 | 8 | -1 | 1 | 142.18 | -6.23 |
| 8 | 1 | 9 | -1 | 1 | 143.96 | -2.06 |
| 9 | 1 | 10 | -1 | 1 | 164.88 | -0.33 |
| MD | -0.76 | |||||
| MAD | 2.37 | |||||
| RMSD | 2.97 | |||||