CCL:G: Gaussian error/basis sets
- From: "sachin Tyagi" <styagi2%x%uic.edu>
- Subject: CCL:G: Gaussian error/basis sets
- 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).