CCL:G: Molecular Orbitals in Turbomole

From: "CCL CCL" <computationalchemist(-)gmail.com>
Subject: CCL:G: Molecular Orbitals in Turbomole
Date: Thu, 23 Feb 2006 10:25:56 +0000

Dear CCLers,

I'm novice to computational chemistry and learning TURBOMOLE and Gaussian. In Gaussian I could find the contribution of each atomic orbital to the molecular orbital listed below the eigen values of the molecular orbital. But in TURBOMOLE i couldn't find the % of atomic orbital contribution. I'may have missed that somewhere.

1) Could any one help me to point out to know about the atomic orbital contribution to Molecular orbitals in Turbomole.

2) Since i'm new i would like to do some simple exercises in these packages and anyone who has the set of experiments for practising could help me by pointing those exercises.

Thanks and regards,

Dr. Sanjay