Dipole intensities

flo fsch... at pci.uzh.ch
Fri Nov 13 09:35:36 CET 2009


Dear Oliver,

there are two things to do. You need to compute the dipoles, which is
done as follows:

&DFT
    &PRINT
         &MOMENTS
         &END
     &END
&END

Furthermore, you have to tell the IR part to use them:

&VIBRATIONAL_ANALYSIS
     INTENSITIES
     ....
&END

Cheers
Flo



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