[molpro-user] Questions about the free rotors
cw zhou
cwzhou2008 at gmail.com
Thu Jan 22 18:23:51 GMT 2009
Dear all,
Here i have some questions about how to specify the free rotors, the
hindered rotors and harmonic oscillators in a molecule.
Take the propenol for example: CH3-CH=CHOH, how many free rotors hindered
rotors and harmonic oscillators in this molecule?
This question bothered me. So if you know, please please reply to me, or
give me some recommendations.
Thanks in advance.
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