[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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