which graphic tools should I choose for the output result of NWchem?


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  • Guest -
5:26:32 AM PST - Fri, Nov 19th 2010
Hi Ram,

Use the following basis block:

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