Thomas Pijper
thomaspijper@hotmail.com
6-31G is not available for Sn. The Basis Sets chapter in the manual has an overview of which sets are available for which elements.
If you prefer to use a build-in set, one possibility would be to use the Hay/Wadt valence basis and ECP. For this, specify:
$CONTRL ECP=HW $END $BASIS GBASIS=HW $END
An alternative is the SBKJC set (replace HW with SBKJC in the above input code).
Kind regards,
Thom
On Mon Dec 2 '13 7:51am, Siddheshwar Chopra wrote
-------------------------------------------------
>Dear Sir,
>I am getting continuous error " Re^5: ILLEGAL BASIS FUNCTION REQUESTED " as I am trying to run calculations on Tin atoms. I am currently trying to use 6-31G(d,p) basis set. Please suggest me a basis set that would be time and efficiency trade off. I prefer the inbuilt basis set.
>Regards,