Subject: calculating polarizabilities

From: Goedele Roos <groos(at)vub.ac.be>
Date: Tue, 11 May 2004 17:55:48 +0200 (MEST)

Dear all, 
Calculating the polarizability for a perfect tetrahedral dianion, gives for the three diagonal elements of the polarizability tensor: (XX)=(YY)=(ZZ). 
But, when I calculate the polarizability of the mono-anion (of the same system) on the optimized geometry of the dianion (thus on the perfect tetrahedral geometry), the polarizabilitytensor gives (XX)=(YY), but the (ZZ) component is different. 
Has anyone also had this problems? 
What can I do to solve this? 
Can anyone give me some advise? 
Thanks in advance for your help, 
Sincerely Yours, 
Goedele Roos 

Drs. Goedele Roos
Dienst Algemene Chemie (ALGC)
Vrije Universiteit Brussel (VUB)
Pleinlaan 2
B-1050 Brussels
Tel: 0032-2-629 35 16
Fax: 0032-2-629 33 17