Table 16.
Statistic | PM6 | B3LYP* | HF* |
---|---|---|---|
Median | 3.26 | 3.75 | 5.10 |
AUE | 4.44 | 5.19 | 7.37 |
RMS | 6.23 | 7.42 | 10.68 |
No. of molecules in set: 1373
* Basis set: 6–31G*
Statistic | PM6 | B3LYP* | HF* |
---|---|---|---|
Median | 3.26 | 3.75 | 5.10 |
AUE | 4.44 | 5.19 | 7.37 |
RMS | 6.23 | 7.42 | 10.68 |
No. of molecules in set: 1373
* Basis set: 6–31G*