Posted by Roland Lindh on February 15, 2007 at 23:26:55:
In Reply to: Re: frequency calculation using CASPT2 ??? posted by Joonghan Kim on February 08, 2007 at 14:00:17:
Hi, look at Test/input/test448.input.
Take care,
-roland
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if B is 1s22s22p1, what is Li?
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Comments: : Hi, : look at Test/input/test448.input. : Take care, : -roland