| Minima for acetylcholine in gas phase by AM1 | ||||||||
|---|---|---|---|---|---|---|---|---|
| A | D | E | δHf | μ | F | % | Cont. δHf | Cont. μ |
| g+ | g- | s | 64.7 | 5.92 | 0.32 | 32.01 | 20.71 | 1.89 |
| g- | g+ | s | 64.7 | 5.92 | 0.32 | 32.01 | 20.71 | 1.89 |
| a | g+ | s | 65.15 | 6.2 | 0.15 | 14.98 | 9.75 | 0.93 |
| g+ | g+ | s | 65.36 | 6.83 | 0.11 | 10.51 | 6.86 | 0.72 |
| g- | g- | s | 65.36 | 6.84 | 0.11 | 10.51 | 6.86 | 0.72 |
| 64.91 | 6.15 |