I have a pretty specific question. Hope there is someone who can reply. I'm trying to calculate the dipole moment of pyridine in HyperChem 8. What is the best method for that? I tried Ab initio with the basis 6-31G** and Semi-empirical AM1. What I get is a dipole moment of about 2.3 D. By literature data it is 2.2 D. Is there a way to optimize the calculations?

Question

abb0t · Answer

p = qd

anonymous · Answer

@abb0t Well, my question was about QM computation. I wasn't sure about the settings on HyperChem that I'm picking.