Reactants | 1a | 1b | R2 | ||
Atomes | P1 | P2 | C1 | C2 | |
Mulliken |
| 0.621 | 0.316 | ||
| 0.325 | 0.245 | |||
| 0.092 | 0.047 | |||
| 0.093 | 0.094 | |||
NPA |
| 0.474 | 0.189 | ||
| 0.423 | 0.301 | |||
| 0.069 | 0.028 | |||
| 0.068 | 0.053 |