[molpro-user] Bond lengths variables names
cayoquimica at gmail.com
Thu Jun 30 19:25:54 CEST 2016
Dear Molpro users,
Does Molpro define bond lengths as variables within the algorithm? If so,
which are their names?
I intend to use complex z-matrix inputs and would like to print in the
table command the bond lengths.
I know that I can always take the xyz and calculate them all, but for
several single point calculations this isn't pratical.
Thanks in advance,
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