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symmetry MCSCF

Jonas Baltrusaitis
jonas-baltrusaitis@uiowa.edu

Is there any problem using CASSCF methods with symmetry? From my experience in Gaussian I know that it reorients the molecule for the particular point group and will destroy the active space. So C1 symmetry needs to be selected to avoid that

What about FF? Any problems using symmetry in MCSCF?

thanks

Jonas

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