anharmonic calculation using vscf method

[MRIDUSMITA BURAGOHAIN]

Dear molpro users,

How do we optimize/measure harmonic frequencies of a molecule (say, naphthalene) at the b3lyp/6-311g** level and then calculate its anharmonic frequencies using vscf? While I am able to do the first part, I am stuck in the anharmonic calculation.

Any suggestions will be much appreciated.

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With Regards,
Mridusmita Buragohain

DST INSPIRE faculty, School of Physics,

University of Hyderabad

JSPS postdoctoral fellow, 

Department of Astronomy, The University of Tokyo

PhD, Department of Physics, Tezpur University

mail id: mrid...@gmail.com, ms.mri...@gmail.com

            

contact no:= +91-9678998154 (India)

               
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