From owner-chemistry@ccl.net Sun Jan 24 12:22:00 2010
From: "mi yang agri_chemist_._yahoo.com" <owner-chemistry(!)server.ccl.net>
To: CCL
Subject: CCL:G: Dipole moment in excited state by G09
Message-Id: <-41103-100124122032-21509-bUOleSw15kDJCSW3uHyDEA(!)server.ccl.net>
X-Original-From: "mi  yang" <agri_chemist%%yahoo.com>
Date: Sun, 24 Jan 2010 12:20:28 -0500


Sent to CCL by: "mi  yang" [agri_chemist%a%yahoo.com]
Thank you dear Dr Ponnadurai for your value adding suggestion. I have already sent them message and waiting for reply...

> Sent to CCL by: "Dr Ponnadurai Ramasami" [ramchemi%%intnet.mu]
> why don't you contact Gaussian help/support?
> 
> ----- Original Message ----- 
>
> Subject: CCL: Dipole moment in excited state by G09

> > Dear CCL users,
> > We are using G09 and I want to calculate the change in dipole moment 
> > between ground state and first excited state. I used the
> > command line #P Opt TD (Dirict,Singlet) B3LYP/6-31G* Current = Density 
> > test.
> > Can I say that the dipole moment of this optimized structure is in its 
> > first excited state?
> > Or any other keyword or precautions to calculate the dipole moment in 
> > excited state with G09 because its very new version?
> >
> > I will be appreciating for this act of kindness.
> > Looking forward to here about this topic.
> >
> > Regards
> >
> > Miyang>
> >
> >
> 
>