Siddheshwar Chopra
sidhusai@gmail.com
>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
>>