Sir,
I read in an amber mail that in order to get equillibrium bond and force
constants of missing bonds and angles do geometrical optimization at B3YLP
level and get the required parameters. But i dont understand how to extract
the particular data from the gaussian output file. Could any one help me
with the required keywords and parameter extraction procedure.
thanking you
--
Mary Varughese
Research Scholar
School of Pure and Applied Physics
Mahatma Gandhi University
India
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Received on Sun Oct 07 2012 - 23:00:05 PDT
