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broken symmetry during MCSCF

Jonas Baltrusaitis
jonas-baltrusaitis@uiowa.edu


I am trying to perform single point MCSCF at C2h structure. Following a well known recipe I try MCSCF from cisprop guess but I am getting:

INTEGRAL TRANSFORMATION CANNOT ASSIGN A DEFINITE ORBITAL SYMMETRY TO MO  674

This is unusual as cisprop and cisnos ended up with all of the orbitals assigned to a specific symmetry. Are there keywords to decrease the tolerance or the problem is elsewhere?

Jonas

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