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MP2, CCSD(T) unrestricted optimization+frequencies

Jonas Baltrusaitis
jonas-baltrusaitis@uiowa.edu

Just to make sure, which methods can I use with Firefly to describe weak adsorption interactions? MP2, CCSD(T)? Anything else possible/useful?

I need to do optimization+frequencies on organometallic clusters (this means unrestricted calculations)

thanks

Jonas

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