# Raman spectra in Gaussian [closed]

I want to simulate Raman spectra of benzene in Gaussian 09.

Calculated spectra for a single ring Benzene ($$\ce{C6H6}$$) in Gaussian differs about $$\pu{40 cm^{-1}}$$ for each peak, compared with experimental Raman's databases.

How can I solve this problem? Gaussian file created with GaussView6: MP2 config

DFT config:

Parameters: (for optimization)

• When discussion computational chemistry (and particularly when asking for advice), it's important to say which method(s) and basis sets you are using. Gaussian 09 is a software package with many very different quantum chemistry methods. – PJ R Dec 20 '18 at 19:42
• Did you scale it? Did you compare it to gas phase data? – DSVA Dec 20 '18 at 19:57
• @Persian_Gulf PJR is correct. The methods and basis set used are crucial for understanding what wrong with your results. If you could include your input script, that would be helpful in answering the questions. – Tyberius Dec 20 '18 at 19:57
• @PJR I tried DFT and MP2. But it still is differs from experimental results. (MP2 is a little better). – Persian_Gulf Dec 20 '18 at 20:11
• Liquid phase is possible at least as implicit solvent models via the scrf keyword. – pH13 - Yet another Philipp Dec 21 '18 at 1:59