iOpenShell » Technical questions » gaussian 03 yardım lütfen?

gaussian 03 yardım lütfen?

Moderators: kadir, krylov, piotr.

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Member
Registered: Jan 2009
Posts: 3
gaussian 03 programının bazı hesaplamaları hakkında yardıma ihtiyacım var.şimdiden yardımcı olacak uzman arkadaşlara teşekkür ederim.
Member
Registered: Jan 2009
Posts: 3
how to use gassian 03w?.can you help me please?
Member
Registered: Aug 2008
Posts: 43
Are you having problems installing g03w or are you having problems running a computation using g03w? If the problems are with running a computation, what sort of computation (energy, geometry opt, frequency calc, etc) are you trying to use?
Member
Registered: Jan 2009
Posts: 3
although I have used scale=0.8929 for HF, its not change vibration frequency.

unscaled frequency;
User posted image

scaled frequency(scale=0.8929 for HF)
User posted image
« Last edit by taha55 on Sun Jan 11, 2009 7:42 pm. »

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iOpenShell » Technical questions » gaussian 03 yardım lütfen?