[molpro-user] variable holding cartesian coordinates

William Chua dodong70 at yahoo.com
Tue Jun 6 14:28:17 BST 2006


Dear Molpro Group,

Is there a variable which holds the 3N cartesian
coordinates of a molecule in an

OPT
COORD,ZMAT

calculation? If there is one, what is it?

W. Chua

__________________________________________________
Do You Yahoo!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com 



More information about the Molpro-user mailing list