Can force constants be comoputed at CASPT2+SOC level?

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Posted by Wenli Zou on February 14, 2006 at 04:21:58:

It seems not (I'm not sure). However, in the paper Gagliardi, Roos, Malmqvist, and Dyke, On the Electronic Structure of the UO2 Molecule, J. Phys. Chem. A 2001, 105, 10602, the frequencies derived from force constants at CASPT2+SOC level are listed.

Could you confirm this?


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if B is 1s22s22p1, what is Li?

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