From owner-chemistry.,at,.ccl.net Mon Nov 28 21:15:01 2011
From: "Jorge Gancheff jorge~~fq.edu.uy" <owner-chemistry*server.ccl.net>
To: CCL
Subject: CCL:G: How To Specify DMF Solvent In Gaussian Input
Message-Id: <-45943-111128192255-23225-v6lGafrV6RatJ+nivftnTA*server.ccl.net>
X-Original-From: "Jorge Gancheff" <jorge-#-fq.edu.uy>
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Sent to CCL by: "Jorge Gancheff" [jorge(a)fq.edu.uy]
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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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