From owner-chemistry@ccl.net Wed Aug 19 17:15:01 2015 From: "Kaci Tiziouzou kaci.tiziouzou/./gmail.com" To: CCL Subject: CCL:G: UV-Visible spectrum Message-Id: <-51596-150819171145-23645-i1WUxH4DXlDCu4OZ2H+2kQ#,#server.ccl.net> X-Original-From: Kaci Tiziouzou Content-Type: multipart/alternative; boundary=f46d044272041ea61c051db07b8e Date: Wed, 19 Aug 2015 15:11:40 -0600 MIME-Version: 1.0 Sent to CCL by: Kaci Tiziouzou [kaci.tiziouzou::gmail.com] --f46d044272041ea61c051db07b8e Content-Type: text/plain; charset=UTF-8 Hi all, Can anyone share with me the procedure that I can use to get a UV-VIS spectrum for Benzene. I am currently using the TD-SCF in gaussian 09 with a 6-31G basis set (Hartree Fock) and my value is way below the experimental. I must be doing something wrong!! Thanks in advance K.T --f46d044272041ea61c051db07b8e Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hi all,

Can anyone share with me the pr= ocedure that I can use to get a UV-VIS spectrum for Benzene. I am currently= using the TD-SCF in gaussian 09 with a 6-31G basis set (Hartree Fock) and = my value is way below the experimental.

I must be = doing something wrong!!

Thanks in advance

K.T
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