CCL:G: How To Specify DMF Solvent In Gaussian Input
- From: "Jorge Gancheff" <jorge-#-fq.edu.uy>
- Subject: CCL:G: How To Specify DMF Solvent In Gaussian Input
- Date: Mon, 28 Nov 2011 22:22:28 -0200
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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