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Re^7: Lack of force constants for bending vibrations in the output file

Vyacheslav
kreme_vg@chemy.kolasc.net.ru


OK, dear Wenli,
I'll keep that in mind.

Now I am testing more complex structures then before and do not have any problems.
Thanks once more!
     Vyacheslav
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On Fri Oct 5 '12 2:23am, Wenli Zou wrote
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>Dear Vyacheslav,

>The definitions of adiabatic and intrinsic force constants/frequencies are different. In the paper Int. J. Quant. Chem. 67, 11 (1998), several kinds of internal mode frequencies can be found.

>In general the difference between adiabatic and intrinsic frequencies is not very large, but if there are different isotopes in the molecule, the difference may be larger.

>Best regards,
>Wenli


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