From owner-chemistry@ccl.net Mon Nov 29 18:31:00 2010 From: "masomeh - gharabaghi gharabaghimasume66**gmail.com" To: CCL Subject: CCL: getting homo and lumo energies Message-Id: <-43242-101129074827-22075-u9tGJiZjnb+6cnPNmzyCHA|a|server.ccl.net> X-Original-From: "masomeh - gharabaghi" Date: Mon, 29 Nov 2010 07:48:24 -0500 Sent to CCL by: "masomeh - gharabaghi" [gharabaghimasume66!=!gmail.com] Hi all; Can you recommend me how I can get the homo and lumo energies of each group of atoms by my output, running via DFT method and TD keyword? Thank you masume gharabaghi email address:gharabaghimasume66__gmail.com