How to get the bond vibrational frequency from the output file?
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Forum Vet
3:20:20 PM PST - Thu, Dec 22nd 2011
What do you mean by bond vibrational frequency. All atoms are involved, except in high symmetric molecular cases. Hence, almost never will it be a single bond vibrating.
Bert
Quote:
Dec 10th 7:20 am
When I have calculated the frequency by nwchem, how can I get the bond vibrational frequency from the output file?