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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">I would like to determine the vibrational frequencies of three excited states of a molecule on which I'm performing MRCI calculations. The molecule has C2v symmetry, and the three
states all belong to different symmetry designations.
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<div>However, when I attempt to perform a vibrational frequency calculation, Molpro admonishes me for not designating the calculation as NOSYM. Is it possible to perform a vibrational frequency calculation in MRCI on excited electronic states of definite symmetry?
If so, how?</div>
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<div>Thank you.</div>
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<div>Gerry Hoffman<br>
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<p>Gerald J. Hoffman, Ph. D.</p>
<p>Associate Professor of Chemistry</p>
<p>Edinboro University of Pennsylvania</p>
<p>230 Scotland Road</p>
<p>Edinboro, PA 16444</p>
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<p>814-732-2813</p>
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<p><a href="mailto:ghoffman@edinboro.edu">ghoffman@edinboro.edu</a></p>
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