[Molpro-user] Highest Symmetry Possible?

[William W. Shum]

Dear Molpro Users,

I been trying to do a calculation of a molecule with D4h symmetry, 
but the highest symmetry I can get (from the output) is D2h.  I tired 
to construct an octahedral molecule and with all specification in the 
z-matrix which should be recognized as Oh, but in the output still 
gives me D2h.  Does anyone know if molpro will allow any symmetry 
higher than D2h?  If there is any suggestions I will really appreciate.

Thanks!

Best Regards,

Will


***************************************
*         William W. Shum             *
* University Graduate Research Fellow *
*        and Ph.D Candidate           *
*                                     *
* Miller Research Group               *
*   Department of Chemistry           *
*      University of Utah             *
*         315 S 1400 E HEB 2128       *
*            Salt Lake City, UT 84112 *
*                                     *
* Phone:  (801) 581-4229              *
* Fax:    (801) 581-8433              *
* e-mail: shumwl at chem.utah.edu        *
***************************************  
-- 
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20080827/392c8949/attachment.html>