CCL:G: isotope

["Mahmoud A. A. Ibrahim" <m.ibrahim!=!compchem.net>]

 Dear Sin
You could use the Readisotopes Keyword in combination with Freq.
 This keyword gives you the ability to use isotopes as well as to change the
 condition (Temp, Pres. and scale).
For more information, have a look on the
 following Gaussian website:
 http://www.gaussian.com/g_tech/g_ur/k_freq.htm
Sincerely;
M.
 Ibrahim

On Thu, Dec 24, 2009 at 10:30 PM, Daniel Jana dfjana(-)gmail.com <owner-chemistry|,|ccl.net> wrote:

Sent to CCL by: Daniel Jana [dfjana ~~ gmail.com]
Hello,

This should help:
http://www.gaussian.com/g_tech/g_ur/m_molspec.htm

Cheers,
Daniel

sina rastegar sina_rastegar1979*_*yahoo.com wrote:

Sent to CCL by: "sina  rastegar" [sina_rastegar1979%x%yahoo.com]


I do not know how can I use an isotope in gaussian input file
could anyone tell me that how can I use isotopes in gaussian 03?
For example I want to use deutrium instead of hydrogen in freq computations.

Thanks a lot.>

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