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

Siddheshwar Chopra
sidhusai@gmail.com


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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