Re: CCL:Gaussian->MOLPRO basis transfer

From: Eric Yan <ericyan \\at// brillouin.ccqc.uga.edu>
Subject: Re: CCL:Gaussian->MOLPRO basis transfer
Date: Sat, 22 Feb 2003 01:18:27 -0500 (EST)

What basis sets are you looking for?
 Have you tried the online basis set form from PNL?
 Take a look at this site:
 http://www.emsl.pnl.gov:2080/forms/basisform.html
 It automatically generates basis sets for different QC packages.
 Hope it helps.
  --------------------------------------------------------------------
   Eric   Yan                   | phone: 706 542-7447
   Ctr. for Comp. Quantum Chem. | fax:   706 542-0406
   University of Georgia        | e-mail: ericyan \\at// ccqc.uga.edu
   Athens, GA  30602-2556       | http://zopyros.ccqc.uga.edu
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 On Fri, 21 Feb 2003, Alexandrova wrote:
 > Hello, everybody!
 > Couldn't you help me with basis sets in MOLPRO. Some basis sets for some
 > elements are missing there. Is there a posibility to take (transfer, input
 > manually?) basis set from Gaussian into the MOLPRO file? May be to make
 MOLPRO
 > to grab basis set from Gaussian? Do you know how to do it?
 > Thank you very much in advance.
 > Anastassia Alexandrova
 > PhD student
 > Dr. Boldyrev research group
 > Dept. of Chemistry
 > Utah State University
 >
 >
 >
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