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Re: Error message--- "THIS IS NOT A STATIONARY POINT ON THE MOLECULAR PES" THE VIBRATIONAL ANALYSIS IS NOT VALID !!!

Solntsev Pasha
solntsev@univ.kiev.ua


Dear Siddheshwar .

Why don't you want to use symmetry? In the attached example i used C6 symmetry and i didn't have any problem. For free benzene you can safety use at least C6 symmetry and significantly speed up calculations.

Best.

Pavel.



On Sat Dec 8 '12 3:02pm, Siddheshwar Chopra wrote
-------------------------------------------------
>Dear Sir,
>Could you please look into the file BenzeneIRFreq.out. I have an issue with the IR Freq. calculation. It says at the end of calculation:::
> *******************************************************
>     * THIS IS NOT A STATIONARY POINT ON THE MOLECULAR PES *
>     *     THE VIBRATIONAL ANALYSIS IS NOT VALID !!!       *
>     *******************************************************
>What do I do to rectify it? How do I find the stationary point?
>Regards,
>Siddheshwar Chopra
>

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[ c6h6.out ] C6H6_opt+hess


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