[molpro-user] hessian matrix in internal coordinate system

David Danovich david.danovich at gmail.com
Thu Sep 29 11:59:09 BST 2011


Is it possible to get hessian matrix (force constant matrix) in the internal
coordinate system instead of Cartesian with molpro? I am using z-matrix as
an input but hessian I an getting in Cartesian in any case. May be some one
has program to convert?

Thank you   David
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