Different ECP assignments for the same type of atoms

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6:44:16 PM PST - Sat, Nov 30th 2013
Thank you very much for your reply! The full output file is too lengthy...I don't know how to attach a file to the post...what kind of information do you want? Quote:Edoapra Nov 30th 10:34 am Heischodir Could you please post the full output file? Thanks