From owner-chemistry@ccl.net Sun Jul 20 13:31:01 2008 From: "Khaled El-Sayed El-Kelany elkelanystar2008 * yahoo.com" To: CCL Subject: CCL: "CCL" Negative Frequency Message-Id: <-37375-080720091507-18044-YlfefUi4nXjYUSk3HrxCxQ=-=server.ccl.net> X-Original-From: "Khaled El-Sayed El-Kelany" Date: Sun, 20 Jul 2008 09:15:03 -0400 Sent to CCL by: "Khaled El-Sayed El-Kelany" [elkelanystar2008|,|yahoo.com] Dears,,,,, I want to ask what can i do? In carrying a frequency analysis "Hessian run" for a transition state, or for more correct for an optimized transition state, by GAMESS program, i have more than value for negative frequency, two some times three..., I copy part of the file below. I am looking for your answer. Thank you Khaled El-Kelany Minia University Egypt FREQUENCIES IN CM**-1, IR INTENSITIES IN DEBYE**2/AMU-ANGSTROM**2 1 2 3 4 5 FREQUENCY: 451.05 I 72.13 I 42.19 20.29 17.26 IR INTENSITY: 5.39515 0.01022 0.01270 0.00125 0.00336