From owner-chemistry "-at-" ccl.net Fri Nov 21 17:27:00 2008
From: "sachin Tyagi styagi2:+:uic.edu" <owner-chemistry[A]server.ccl.net>
To: CCL
Subject: CCL:G: Gaussian error/basis sets
Message-Id: <-38135-081121161622-7723-epZ1cejKVgjtd/w6xglTHw[A]server.ccl.net>
X-Original-From: "sachin  Tyagi" <styagi2%x%uic.edu>
Date: Fri, 21 Nov 2008 16:16:18 -0500


Sent to CCL by: "sachin  Tyagi" [styagi2,uic.edu]
Could any body please tell me how to assign different basis sets for different atoms. I read in few books and checked some sample input file and I tried using Keyword GEN and at the end of molecule specifications I assigned the basis sets, (6-31G, LanL2DZ). But I am getting the following error:

General basis read from cards:  (5D, 7F)
  WANTED AN INTEGER AS INPUT.
  FOUND A FLOATING POINT NUMBER AS INPUT.
  1 2 1.0 5 2.0 22 1.0                                                           
                                                                                 
                                                                                 
                 
     ?
 Error termination via Lnk1e in /usr/common/g03/l301.exe at Fri Nov 21 

It would be a great help if you could suggest me what basis sets should I be using for Iodine and transition metal atoms (Rhodium and Copper).

Thanks 

Regards

Sachin