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 |
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84.9 |
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