Subject: Ab-initio Force Constants

From: [email-masked] (Dominique Cavagnat)
Date: Tue, 27 Jun 1995 16:08:20 +0200

Hi,

Ab-initio frequency calculations give
force constants in cartesian and internal
coordinates, the units being respectively
hartree/bohr (and not hartree/bohr**2) and
atomic units. Does somebody know how to 
convert them in mdyn/angstrom?

Thanks for your response

C. Lapouge

_______________________________|
Christine Lapouge              | 
                               |
Laboratoire de Spectroscopie   |
Moleculaire et Cristalline     |
                               |
Talence                        |
France                         |
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