Do NMR calculations work at MP2 level in Gaussian?

04 March 2021 1 9K Report

I have been calculating some NMR shieldings in Gaussian comparing methodologies but it seems that HF and MP2 lead to the same numerical value. With DFT it seems that the script is well implemented but does anyone know for sure what happens for MP2?

Michael Carrillo

Alexis,

NMR calculations do indeed work at the MP2 calculation. What is the problem that you keep getting at MP2 and HF calculations?

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