Dear Molpro community,<br><br>Does anyone know what is the analog of keyword 'freqdft' in a new version 2009? <br><br><br>I just found this: <br><pre>! $Revision: 2006.1 $<br>include procedures<br>geometry={O;                 !Z-matrix for water<br>
          H1,O,R;<br>          H2,O,R,H1,THETA}<br>R=0.96 Ang                   !start bond distance<br>Theta=104                    !start bond angle<br>basis=6-31g**                !Pople basis set<br>$functional=b3lyp            !define fucntional (optional, b3lyp is default)<br>
freqdft                      !run frequency calculation<br></pre>-------------<br><br>But it doesn't work in 2009 molpro.<br><br>Could you help? <br><br>Best regards, Yurii<br>