10:08:41 AM PST - Wed, Feb 3rd 2016 |
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The frequency for the response keyword is not related to the vibrational frequencies of your molecule but rather the frequency of the perturbing electric field. So if you want the static molecular polarizability, you would use a frequency of 0.0. If you are interested in the frequency dependent polarizability then you would use whichever frequency you are interested in. For example, if you are interested in a resonance Raman calculation, you would choose a frequency close to an electronic transition in your molecule.
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