| q (Te) | |||
| R1 | R2 | Mulliken | NBO |
|
|
| HF/3-21G | |
| CH3 | CH3 | +0.157 | +0.085 |
| CH3 | NH2 | −0.118 | −0.245 |
| NH2 | NH2 | −0.179 | −0.316 |
|
|
| HF/3-21G* | |
| CH3 | CH3 | −0.009 | +0.110 |
| CH3 | NH2 | −0.229 | −0.212 |
| NH2 | NH2 | −0.301 | −0.319 |
|
|
| B3LYP/3-21G | |
| CH3 | CH3 | +0.162 | +0.143 |
| CH3 | NH2 | −0.027 | −0.100 |
| NH2 | NH2 | −0.146 | −0.248 |
|
|
| MP2/3-21G | |
| CH3 | CH3 | +0.165 | +0.096 |
| CH3 | NH2 | −0.048 | −0.168 |
| NH2 | NH2 | −0.152 | −0.288 |