[molpro-user] basis specification

[Kirk Peterson]

John,

could you post the input that you got from the EMSL library?

thanks,

Kirk

On Apr 11, 2005, at 12:32 PM, John S. Sears wrote:

> 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
>
>