[molpro-user] freqdft in version 2009

[Yurii Vlasov]

Dear Molpro community,

Does anyone know what is the analog of keyword 'freqdft' in a new version
2009?


I just found this:

! $Revision: 2006.1 $
include procedures
geometry={O;                 !Z-matrix for water
          H1,O,R;
          H2,O,R,H1,THETA}
R=0.96 Ang                   !start bond distance
Theta=104                    !start bond angle
basis=6-31g**                !Pople basis set
$functional=b3lyp            !define fucntional (optional, b3lyp is default)
freqdft                      !run frequency calculation

-------------

But it doesn't work in 2009 molpro.

Could you help?

Best regards, Yurii
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