[Pinheiro]

Hi there.

I had already ran a huge number of structure optimization and frequencies calculations on gaussian program. As default for DFT calculations, the output give me just the IR intensities.
Now I need all the Raman signal intensity for this already calculated frequencies.
So I want to know if there is some way to use the data that I have (.log and .chk files) so I don't need to recalculate the frequencies, but just the Raman intensities.

Some one know the way I could do this?

Thanks,
Pinheiro.

[curiouscat]

IR uses the dipole calculation for each vibration eigenmode. What's Raman based on?

[Pinheiro]

Raman is a scattering phenomena, the intensity of a signal emerge as a consequence of the change on the molecule polarizability during the normal mode vibration.
As I said, the normal mode are the just calculated ones, I want to know if there is such a way to calculate the Raman intensity, without recalculating the vibrations.

Cordially,
Pinheiro.