Reactants | 1a | 1b | R2 | ||
Atoms | P1 | P2 | C1 | C2 | |
Mulliken |
| 0.621 | 0.316 | ||
| 0.325 | 0.245 | |||
| 0.859 | 0.543 | |||
| 0.821 | 0.672 | |||
NPA |
| 0.474 | 0.189 | ||
| 0.423 | 0.301 | |||
| 0.656 | 0.262 | |||
| 1.068 | 0.823 |