Input for Vibrational Analysis on a TS

Sergey Chulkov sergeya... at
Thu Oct 13 13:25:01 UTC 2016

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,

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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