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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[ BenzeneIRFreq.out ]