| Level of Theory | Dipole Moment (Debye), Calculated | Dipole Moment (Debye), Experimental |
| AM1 |
1.85641 |
|
| PM3 |
1.775390 |
1.775 |
| 3-21 G |
1.390815 |
1.830 |
| 6-31 G |
1.403603 |
1.866 |
| DZV |
1.374257 |
1.293 |