frequency calculation

Sahasranaman Mahalakshmi lakshmi at mail.chem.tamu.edu
Sun Apr 21 22:51:28 BST 2002


 Dear Molpro-users,

 I have a clarification regarding calculation of
 frequencies by molpro. Does molpro use 3N-5 vibrational
 modes for a linear molecule and 3N-6 for a non-linear
 molecule while calculating the vibrational frequencies ?

 Thanks,
 Mahalakshmi  



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