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Dear Molpro Users,<br><br>
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.<br><br>
Thanks!<br><br>
Best Regards,<br><br>
Will<br><br>
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<font face="Courier New, Courier" size=2>
***************************************<br>
* William W.
Shum
*<br>
* University Graduate Research Fellow *<br>
* and Ph.D
Candidate
*<br>
*
*<br>
* Miller Research
Group
*<br>
* Department of
Chemistry
*<br>
* University of
Utah
*<br>
* 315 S 1400 E HEB
2128 *<br>
* Salt
Lake City, UT 84112 *<br>
*
*<br>
* Phone: (801)
581-4229
*<br>
* Fax: (801)
581-8433
*<br>
* e-mail: shumwl@chem.utah.edu
*<br>
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