Reliable frequency and Raman for some specific states.

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  • Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi, I am not sure if I fully understand your question.
Try using our property module which will allow you to calculate frequencies and Raman spectra.

Best,
-Niri

niri.govind@pnnl.gov


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