CCL: "CCL" Negative Frequency
- From: "Khaled El-Sayed El-Kelany"
<elkelanystar2008|a|yahoo.com>
- Subject: CCL: "CCL" Negative Frequency
- 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