From owner-chemistry@ccl.net Tue Jan  1 22:34:00 2013
From: "Eli LAM elizabeth.shlam() gmail.com" <owner-chemistry]![server.ccl.net>
To: CCL
Subject: CCL: Eqsolv in G09 clarification
Message-Id: <-48036-130101223306-20533-pXn/U8kCPHb06EGaeoAIZg]![server.ccl.net>
X-Original-From: "Eli  LAM" <elizabeth.shlam!A!gmail.com>
Date: Tue, 1 Jan 2013 22:33:05 -0500


Sent to CCL by: "Eli  LAM" [elizabeth.shlam * gmail.com]
Dear CCLers,

I would like to clarify the use of Eqsolv in G09 TD calculations.  I have 
learnt that it performs equilibrium PCM solvation.  Does it mean that if TDDFT 
is performed at a relaxed excited state geometry, Eqsolv should be included? 
What are the differences between NonEqsolv and Eqsolv for TDDFT performed at 
ground state?

Thank you very much!
Best regards,
Eli