[molpro-user] counterpoise corrections
chris.shepard at richmond.edu
Tue Jul 8 18:19:07 BST 2014
I am attempting to run a counterpoise correction on an already optimized
benzene dimer cation using Cartesian coordinates as my input geometry.
However from the Molpro manual section 10.7 it appears the only way to run
these calculations is by using a z-matrix geometric input. Is it possible
to run counterpoise corrections with Cartesian coordinates, and if so any
hints for the calculation would be much appreciated!
Thank you, Chris Shepard
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