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Specialty Chemistry Forums => Chemical Engineering Forum => Topic started by: agent1594 on September 25, 2016, 09:13:54 AM

Title: Exact Polarizability units in Gaussian 03 ?
Post by: agent1594 on September 25, 2016, 09:13:54 AM

Does anyone have an idea about the units used in Gaussian 03?

Here it is stated as Debye.

Quote from: http://ccl.net/chemistry/resources/messages/2010/12/31.019-dir/index.html

Sent to CCL by: Delwar Hossain [hossaind2004 _ yahoo.com]
 For G03 the Exact Polarizibility unit is  same as dipolemoment i.e Debye.
 For
 G09, you can be sure about the unit if you look at the output file. Just look
 at several line before the frequency is printed, you can see the value and
 unit.
 Thanks,
 Delwar
 Sent to CCL by: "morteza  moghimi" [m.moghimi.w]_[gmail.com]
 Dear CCL users,
 I want to know what is polarizability unit in G09?
 Thanks in advance.
 morteza           

But Wikipedia says something else.

Quote from: https://en.wikipedia.org/wiki/Polarizability

Polarizability has the SI units of C·m²·V−1 = A²·s4·kg−1 while its cgs unit is cm3. Usually it is expressed in cgs units as a so-called polarizability volume, sometimes expressed in Å3 = 10−24 cm3.

For instance, for water we get the following line in the output file.

Quote from: Gaussian 03

Exact polarizability:   0.784   0.000   6.802   0.000   0.000   3.626

But the units are not expressed.  :-\

Someone please shed some light.
Thanks.