The NBO charges for neutral and +1 charged cation in e.
| Atom | Charge | ||
|---|---|---|---|
| 0 | +1 | Delta | |
| C 1 | 0.72 | 0.74 | 0.02 |
| C 2 | 0.36 | 0.64 | 0.28 |
| N 3 | −0.41 | −0.36 | 0.05 |
| C 4 | 0.53 | 0.64 | 0.12 |
| C 5 | 0.22 | 0.25 | 0.04 |
| N 6 | −0.26 | −0.17 | 0.09 |
| C 7 | −0.35 | −0.36 | −0.01 |
| H 8 | 0.18 | 0.22 | 0.04 |
| H 9 | 0.21 | 0.23 | 0.01 |
| H 10 | 0.20 | 0.24 | 0.04 |
| N 11 | −0.81 | −0.78 | 0.04 |
| H 12 | 0.41 | 0.43 | 0.02 |
| H 13 | 0.40 | 0.42 | 0.02 |
| O 14 | −0.52 | −0.46 | 0.06 |
| C 15 | −0.32 | −0.38 | −0.06 |
| O 16 | −0.36 | −0.32 | 0.04 |
| N 17 | −0.19 | −0.12 | 0.06 |
| C 18 | −0.60 | −0.61 | −0.01 |
| H 19 | 0.21 | 0.23 | 0.01 |
| H 20 | 0.21 | 0.22 | 0.01 |
| H 21 | 0.22 | 0.25 | 0.03 |
| N 22 | −0.82 | −0.78 | 0.04 |
| H 23 | 0.39 | 0.42 | 0.03 |
| H 24 | 0.38 | 0.40 | 0.02 |