Firefly and PC GAMESS-related discussion club



Learn how to ask questions correctly


Re: Frequency Calculations

Alex Granovsky
gran@classic.chem.msu.su


Hi,

why not to search forum first?

There are already several similar threads, e.g.:

http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35d7f1aa6eEV-7259-100-00.htm

http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C33e0b5b5fJuh-6675-35+00.htm

Hope this helps.

Regards,
Alex Granovsky

On Tue Aug 3 '10 5:54am, Ritesh wrote
-------------------------------------
>Dear Sir,

>I have optimized the molecule to minimum energy and than try to calculate the frequency. The job was completed normally but along with the various determined values, I got the following message.

> THIS IS NOT A STATIONARY POINT ON THE MOLECULAR PES *
>     *     THE VIBRATIONAL ANALYSIS IS NOT VALID !!!  
>
>
>Please suggest the possible remedy.

>Thanks with regards
>

>


[ Previous ] [ Next ] [ Index ]           Wed Aug 4 '10 6:00pm
[ Reply ] [ Edit ] [ Delete ]           This message read 1305 times