Posted by Roland Lindh on February 15, 2006 at 10:25:34:
In Reply to: Re: MS-CASPT2 numerical gradient posted by Takao Kobayashi on February 15, 2006 at 09:05:48:
Hi, look in the 6.2 manual at page 42, please.
-roland
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if B is 1s22s22p1, what is Li?
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Comments: : Hi, : look in the 6.2 manual at page 42, please. : -roland