Alex Granovsky
gran@classic.chem.msu.su
It is possible to calculate NBO charges with Firefly using
Firefly's NBO module. You need to buy the NBO license first
(it is inexpensive, ca. $ 35) from TCI/NBO. See the following
link for additional information:
http://classic.chem.msu.su/gran/gamess/nbo.html
Kind regards,
Alex Granovsky
On Thu Aug 22 '13 2:51pm, Amir Nasser Shamkhali wrote
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>Dear All
>Is it possible to calculate only NBO charges by firefly?