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 | 46.72 | 10.9229 |
| 2 | 55.17 | 2.5719 |
| 3 | 37.10 | 5.6977 |
| 4 | 33.94 | 5.5411 |
| 5 | 44.08 | 6.2839 |
| 6 | 37.75 | 7.7484 |
| 7 | 30.93 | 9.5266 |
| MD | 6.90 | |
| MAD | 6.90 | |
| RMSD | 7.36 | |