[molpro-user] C4v symmetry

Grant Hill hilljg at Cardiff.ac.uk
Mon Dec 18 08:43:04 GMT 2006

Dear Ashwani Kumar Tiwari

Section 16.2 of the Molpro manual [1] details how to specify symmetry in
your input file. You should however note that only Abelian point groups
are implemented, so C4v will not be available.


Grant Hill


On Mon, 2006-12-18 at 12:52 +0530, Ashwani Kumar Tiwari wrote:
> Hello All,
> Can anyone please tell me how to specify C4v symmetry in molpro input file.
> Thank u.
> with regards
> Ashwani Kumar Tiwari
> Research Scholar
> C/O Prof. N. Sathyamurthy
> Department of Chemistry
> IIT Kanpur

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