[molpro-user] basis specification

John S. Sears gtg390f at mail.gatech.edu
Mon Apr 11 20:32:56 BST 2005


Dear all
When I try to input the 6-31G* basis set for Mn from the EMSL I get an
error:
 Too many contractions requested from library

 ERROR EXIT
 CURRENT STACK:      MAIN

Any help would be appreciated.
Best
John

John Steven Sears
Center for Computational Molecular Science and Technology
School of Chemistry and Biochemistry
Georgia Institute of Technology
Atlanta, GA 30332-0400
Office: Boggs 3-19
Phone: 404-385-1310
Email: john.sears at chemistry.gatech.edu




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