Subject: Ab-initio Force Constants

From: [email-masked] (Dominique Cavagnat)
Date: Wed, 14 Jun 1995 16:32:22 +0200

Dear CCLers,

Ab-initio frequency calculations
give the force constants in cartesian
(units: hartree/bohr) and internal
coordinates (in atomic units).
Does somebody know the factors to
convert them in mdynes/angstroms?

Thank you for your answers

Christine Lapouge

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Christine LAPOUGE             |
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Laboratoire de Spectroscopie  |
  Moleculaire et Cristalline  | 
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Talence                       |
FRANCE                        |
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E-mail: [email-masked].     |
	  u-bordeaux.fr       |
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