CCL:G: Gaussian error/basis sets

[Marcel Swart <marcel.swart{:}icrea.es>]

 Sent to CCL by: Marcel Swart [marcel.swart]^[icrea.es]
 See http://bse.pnl.gov/bse
 This website allows to select the basis set and the element,
 and it will give the input for any of a number of QC programs,
 among which also G03 (Gaussian94 format).
 Quoting "sachin Tyagi styagi2:+:uic.edu"
 <owner-chemistry###ccl.net>:
>  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
>  -= This is automatically added to each message by the mailing script =->
 ===================================
 dr. Marcel Swart
 ICREA researcher at
 Institut de Química Computacional
 Universitat de Girona
 Parc Científic i Tecnològic
 Edifici Jaume Casademont (despatx A-27)
 Pic de Peguera 15
 17003 Girona
 Catalunya (Spain)
 tel
 +34-972-183240
 fax
 +34-972-183241
 e-mail
 marcel.swart###icrea.es
 marcel.swart###udg.edu
 web
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 http://iqc.udg.edu/~marcel
 ===================================