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Date: Fri, 2 Aug 2002 12:47:19 -0700 (PDT)
From: Hatice Can <alphacan2000 ":at:" yahoo.com>
Subject: Orbital symmetries
To: chemistry -x- at -x- ccl.net
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Dear All,

I did  uhf calculations to chek the stability of
wavefunction for the organic molecule when it is in
gas phase or in supercage of zeolite using Gaussian
98. I have the response to confirm the wave function
stability. Do I have to do  wavefunction optimization
with stable=opt keyword?
My second question is to related orbital symmetries
for that molecule. I could obtain the orbital
symmetries for the molecule when it is gas phase, but
in the case of supercage I can not have the orbital
symmetries.

If someone would like to explain this differences, I
would be glad.

All the suggestions and explanations will be summarised.

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