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Re: Basis set for Solvent calculation with Cavity Radius Modification

Alex Granovsky
gran@classic.chem.msu.su


Dear Farid,

attached please find the corrected input and output files.

There were several problems with your original input file,
the most important of them was missed $contrl ecp=read directive.

Hope this helps.

Kind regards,
Alex Granovsky


On Mon Mar 10 '14 10:48am, taherkhani wrote
-------------------------------------------
>Dear Alex,

>Thanks so much for your consideration.I am sorry for delay response. Attached please find basis set for solvent calculation of Re complex compound with cavity radius modification.  I really appreciate your help.

>All the best,

>Farid

This message contains the 838 kb attachment
[ pcm_with_ecp_fixed.rar ]


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