| Compounds | Gg (au) | ΔGg (KJ/mol) |
| Diclofenac | −1665.80756 | |
| Diclofenac (O-anion) | −1665.144766 | 1712.2 |
| Bromfenac | −3433.469536 | |
| Bromfenac (O-anion) | −3432.805887 | 1714.5 |
| Amfenac | −859.913231 | |
| Amfenac (O-anion) | −859.250338 | 1712.5 |