Subject: Analysis of Cartesian Force Constant Matrix

From: "Jens Spanget-Larsen" <spanget|at|virgil.ruc.dk>
Date: Wed, 11 May 2005 15:26:20 +0200

Dear CCL!

Can anyone recommend a utility program that will transform the 
cartesian force constant matrix from a Gaussian chk-file into 
a basis of 'symmetry coordinates' (corresponding to bond 
stretchings, bendings, etc.), enabling corresponding analysis 
the vibrational modes, e.g., in terms of potential energy 
distributions and other useful parameters? 

Yours, Jens >--< 

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JENS SPANGET-LARSEN         Office:         +45 4674 2710
Department of Chemistry     Fax:            +45 4674 3011
Roskilde University (RUC)   Mobile:         +45 2320 6246
P.O.Box 260                 E-Mail:        spanget|at|ruc.dk
DK-4000 Roskilde, Denmark   http://virgil.ruc.dk/~spanget
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