| 4:50:51 AM PDT - Mon, Sep 19th 2011 |
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Hi,
I'm trying to do calculations in nwchem with the 6-311G(3d,3p) basis set. It seems that you don't have support for this basis set, but I was wondering if anybody knew if there was any way of finding the parameters?
Basis set exchange has 6-311++G(3df,3dp), and another few similar basis sets, and though I'd love to remove the numbers which appear to be due to the ++, f and p parts of the basis set, it looks like it's not that simple.
Is there any way to construct the (3d,3p) basis sets from the (d,p) ones, or another nice way of solving the problem?
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