| 2,2'-chlorobiphenyl |
Dipole (Debye) |
Dihedral Angle (°) |
Engergy (Hartree) |
| AM1 |
1.526426 |
90.3 |
-87.9499 |
| PM3 |
1.052166 |
85.0 |
-80.0244 |
| 6-21G |
2.468097 |
85.0 |
-1377.4957 |
| 6-31G |
3.139907 |
84.8 |
-1377.8424 |
| DZV |
2.962393 |
92.2 |
-1377.8 |
| Literature |
------- |
84.9 |
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