CCL: Suitable Basis set for Hg(II) Calculation

From: "Pezhman Zarabadi-Poor" <pzarabadip^^^gmail.com>
Subject: CCL: Suitable Basis set for Hg(II) Calculation
Date: Sat, 26 Nov 2011 17:13:51 -0500

 Sent to CCL by: "Pezhman  Zarabadi-Poor" [pzarabadip/a\gmail.com]
 Dear CCL users,
 I am planning to do some DFT and TDDFT calculations on a complex of Hg(II) and
 a naphthalene sulfonic acid derivative. I searched through the literature and
 found that some of previous computational works have employed ECP-LANL2DZ for
 Hg(II). Is it a good suggestion for doing such calculations? I checked the
 larger basis sets such as aug-cc-pVDZ to QZ but I obtained a little bit
 different results than the published ones? According to the consultant with an
 expert person, there is guess that maybe employing larger basis sets makes Hg
 ions too soft and makes the results wrong!
 Your suggestions about the appropriate method/basis sets are highly
 appreciated.
 Best regards,
 Pezhman Zarabadi-Poor