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

[Vel Murugan <murugan4chemistry,gmail.com>]

 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

-- 

VELMURUGAN G