All results were obtained with the def2-QZVP basis set.
For each data point of the subset, the actual result in Eh and the
deviation from the reference value (Res. - Ref.; in kcal/mol) are given.
At the end of the table, mean (MD), mean absolute (MAD) and root mean square (RMSD) deviations are shown.
The results were published in: Goerigk, L.; Grimme, S. Phys. Chem. Chem. Phys. 2011, DOI: 10.1039/C0CP02984J.
| SVWN | ||
|---|---|---|
| # | Result | Res. - Ref. |
| 1 | 1.92 | 0.3931 |
| 2 | 5.11 | 3.4982 |
| 3 | 4.22 | 2.2700 |
| 4 | 4.85 | 3.0582 |
| 5 | 2.50 | 0.4056 |
| 6 | 5.04 | 3.1099 |
| 7 | 3.12 | 0.9381 |
| 8 | 3.17 | 0.8143 |
| 9 | 6.28 | 3.7197 |
| 10 | 6.13 | 3.4522 |
| MD | 2.17 | |
| MAD | 2.17 | |
| RMSD | 2.53 | |