CCL:G: How To Specify DMF Solvent In Gaussian Input



Dear Jorge,
            Thank you for the response.

On Tue, Nov 29, 2011 at 5:52 AM, Jorge Gancheff jorge~~fq.edu.uy <owner-chemistry,ccl.net> wrote:
Hi,

to use N,N-DMF as solvent in PCM calculation in Gaussian, you have to use a
non standard input. For this solvent, the appropriate parameters are
(include them at the end of your input file):

eps=36.71
rsolv=2.647
density=0.00778
epsinf=1.75

I hope this help you.

Yours,

Jorge





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VELMURUGAN G