Compound name | DFT/B3LYP | HF | ||||
STO-3G | 3-21 G | 6-31 G(d) | STO-3G | 3-21 G | 6-31 G(d) | |
Paracetamol | 1.4632 | 2.0904 | 2.1131 | 1.8224 | 2.5928 | 2.4109 |
Diphenhydramine | 1.0410 | 1.3651 | 1.0863 | 1.0773 | 1.4069 | 1.0533 |
Pseudoephedrine | 3.4684 | 3.4946 | 2.9005 | 2.6890 | 3.2765 | 2.8123 |