How to define different basis sets for same type of atoms


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  • Guest -
5:15:54 PM PST - Thu, Nov 18th 2010
Hi Ram,

In your basis set block use the following

basis
C1 library C 3-21G*
C2 library C 3-21G*
C3 library C 6-31++G**
C4 library C 6-31++G**
end

Best
-Niri