Excited state using Coupled Cluster method in B2 symmetry of C2v point group?

16 October 2022 0 6K Report

Hi, I am using Gaussian to calculate excited state energy for a molecule, I want to calculate the state based on irreducible representation, e.g. I want to calculate for 1B2, 2B2 etc. irrep of C2v point group, I look for Symmetry keyword but I do not know how to get energy for B2 state only.

Thanks in advance.

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