CCL:G: problem with aug-cc-pVxZ-PP basis sets for iodine...

From: Grant Hill <jghill^-^wsu.edu>
Subject: CCL:G: problem with aug-cc-pVxZ-PP basis sets for iodine...
Date: Mon, 6 Dec 2010 18:18:31 +0000

 Sent to CCL by: Grant Hill [jghill::wsu.edu]
 On 6 Dec 2010, at 17:10, Roy Jensen JensenRH _ MacEwan.ca wrote:
 > Anyone have any idea why the aug-cc-pVxZ-PP basis sets do so poorly?
 Yes, they're not an all electron set and from your mail I suspect that you're
 not using them with an ECP (the PP part of the abbreviation is
 pseudo-potential). I'm surprised they do as well as you report.
 I can't comprehend that Gaussian won't let you specify a general basis set / ECP
 combo. This functionality is surely there somewhere.
 HTH,
 Grant