Subject: Guess Option in G94W

From: Yubo Fan <[email-masked]>
Date: Wed, 11 Mar 1998 09:25:57 +0800

Hi,

I have calculated a system with high symmetry. I tried two options. They
are:
#P #T B3LYP/3-21G* SCF=Tight Test
#P #T B3LYP/3-21G* GUESS=NoSymm SCF=Tight Test
The results I got are quite different, about 7 a.u.

Can anybody give me some advice?

Thank you very much.

Y. Fan

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Yubo Fan                         Email: [email-masked]
Organic Synthesis Lab                   [email-masked]
The Department of Chemistry
Fudan University                 Phone: 8621-65648139
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