Input for Vibrational Analysis on a TS

[Megha Anand]

Thank you Sergey :)

On Thursday, October 13, 2016 at 9:25:02 AM UTC-4, Sergey Chulkov wrote:
>
> Hi Megha,
>
> you do not need the section MOTION/GEO_OPT at all to perform vibrational 
> analysis. Please use the input section VIBRATIONAL_ANALYSIS instead along 
> with the RUN_TYPE of the same name ('vibrational_analysis').
>
> Best wishes,
> Sergey
>
> On Thursday, October 13, 2016 at 1:21:30 AM UTC+1, Megha Anand wrote:
>>
>> Dear All,
>>
>> Please help me with the TS search.
>>
>> I just performed a transition state search and now I would like to 
>> perform vibrational analysis on the final geometry. Now in the GEO_OPT 
>> subsection of the MOTION section, should I put TYPE as TRANSITION_STATE or 
>> MINIMIZATION?? Do I even need to specify the TYPE  in this section?
>>
>> Thank you for your time and help!
>>
>> Best regards,
>> Megha Anand
>> Post-doctoral Associate 
>> MIT, Cambridge MA 02140
>>
>
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