How to get the bond vibrational frequency from the output file?


  • Guest -
12:20:22 AM PST - Sat, Dec 10th 2011
When I have calculated the frequency by nwchem, how can I get the bond vibrational frequency from the output file?

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?


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