I have calculated the vibration spectrum of a large molecule, and now I
want the spectrum af the same molecule with other isotopes. This should be
possible without recomputing the forces (very time-consuming!) but from
reading the manual, I haven't been able to find out how. Help, anyone?
Thanks in advance.

Ole

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Ole Swang Research Scientist, Dr. Scient.
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SINTEF Applied Chemistry, Dept. of Hydrocarbon Process Chemistry
P. O. Box 124 Blindern, N-0314 Oslo, Norway
Phone: +47 22 06 74 29 Fax: +47 22 06 73 50
Email: ole.swang_at_chem.sintef.no
URL: http://www.sintef.no/units/chem/catalysis_oslo/ole.html
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Received on 2000-01-19 14:25:58