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Re: Getting the Error "THE VIBRATIONAL ANALYSIS IS NOT VALID !!! " in RAMAN SPECTRA Calculations...

Alex Granovsky
gran@classic.chem.msu.su


Dear Siddheshwar,

What is the value of RMS gradient at a point where the hessian matrix has been computed?  

Kind regards,
Alex Granovsky


On Wed Feb 12 '14 2:07pm, Siddheshwar Chopra wrote
--------------------------------------------------
>Dear Sir,
>I am running Raman Spectra calculations on Benzene. Prior to this I obtained Hessian for the non-imaginary frequencies. But when I ran for RAMAN, I got the following error:

>     *******************************************************
>     * THIS IS NOT A STATIONARY POINT ON THE MOLECULAR PES *
>     *     THE VIBRATIONAL ANALYSIS IS NOT VALID !!!       *
>     *******************************************************

>Please help and suggest me the right way. Will the same problem come if I run for UV? Could you also elaborate on how to run for UV?

>Regards,


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