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hessian_asymmetry

Richard
bonarlaw@liv.ac.uk


Lines such as

SYMFCM: LARGEST HESSIAN ASYMMETRY: PAIR #    1: I =  15 J =   12 REL. ASYM = 0.2210484995D-02 ABS. ASYM = 0.2920159034D-04 etc.

are printed after a hessian calculation.

Is there any useful information here, maybe about the reliability of the frequencies?

Richard


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