Atom | qN+1 (anion) | qN (neutral) | qN−1 (cation) |
|
|
|
1C | −0.340 | −0.318 | −0.275 | −0.022 | −0.043 | 0.021 |
2C | 0.292 | 0.290 | 0.322 | 0.002 | −0.032 | 0.034 |
3C | 0.261 | 0.282 | 0.334 | −0.021 | −0.052 | 0.031 |
4S | 0.144 | 0.221 | 0.361 | −0.077 | −0.140 | 0.063 |
6N | −0.456 | −0.459 | −0.446 | 0.003 | −0.013 | 0.016 |
7N | −0.627 | −0.621 | −0.578 | −0.006 | −0.043 | 0.037 |
10C | 0.215 | 0.241 | 0.245 | −0.026 | −0.004 | −0.022 |
11C | 0.571 | 0.605 | 0.633 | −0.034 | −0.028 | −0.006 |
12O | −0.576 | −0.526 | −0.522 | −0.050 | −0.004 | −0.046 |