CCL: Gap HOMO LUMO

 Sent to CCL by: "Pedro Derosa" [pderosa%%latech.edu]
 You do not need TD to determine HLG, but you can get it from the output,
 just look for the molecular orbitals' energies and take the different
 between the HOMO and the LUMO
 -----Original Message-----
 > From: owner-chemistry+pderosa==latech.edu(-)ccl.net
 [mailto:owner-chemistry+pderosa==latech.edu(-)ccl.net] On
 Behalf Of med
 mohamed medmaatallah|a|yahoo.fr
 Sent: Tuesday, April 21, 2009 6:40 AM
 To: Derosa, Pedro
 Subject: CCL: Gap HOMO LUMO
 Sent to CCL by: "med  mohamed" [medmaatallah[a]yahoo.fr]
 how to determine the gap Homo Lumo by the TD method.http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt