Subject: Re: CCL:Gaussian->MOLPRO basis transfer

From: Eric Yan <[email-masked]>
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.

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  Eric   Yan                   | phone: 706 542-7447
  Ctr. for Comp. Quantum Chem. | fax:   706 542-0406
  University of Georgia        | e-mail: [email-masked]
  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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