Analytical #Raman intensities are one of the notable new features of #ORCA 6.1 (MPI Kofo & FACCTs). Check the implementation paper by Frank Neese and Petra Pikulová.

https://doi.org/10.1063/5.0314723

Manual on Raman simulations:

https://www.faccts.de/docs/orca/6.1/manual/contents/spectroscopyproperties/vibrations.html?q=RAMAN&n=0#raman-spectra

#Spectroscopy #CompChem #QuantumChem