Table 1 A detailed comparison of the energy, polarizability, and dipole moment values for the test compounds.
Compounds | Energy (kcal/mol) | Dipole moment (debye) | Polarizability (a.u.) |
|---|---|---|---|
I | −895911.48 | 3.78 | 260.75 |
II | −1126410.51 | 3.02 | 219.21 |
III | −1307334.77 | 6.56 | 220.50 |
IV | −1290783.46 | 6.47 | 351.99 |
V | −627559.86 | 2.20 | 199.74 |
VI | −689245.11 | 8.97 | 163.34 |