CCL: NLO calculation with solvent effects



 Sent to CCL by: "mi  yang" [agri_chemist]=[yahoo.com]
 Hello CCL user,
 I would like to ask sth about NLO property in soln. I want to calculate First
 hyperpolarizability (Beta) with solvent effects. There are two possible ways:
 1- To put the polar key word in the same input section as for Solvent effect but
 this gives me very large value
 2- To re-optimized the geometry of the molecule with solvent effect and then
 re-calculate the NLO value on this relaxed geomtry.
 Now, I am wondering, which method is right for taking the solvent effect in
 calculation of beta value...
 thanx for any comment
 Miyang