Input 01-casida.02-vib_modes.inp

Commits > Commit abc749737cc12a5b79d975879ed425be2e62065f > Run eb_foss-2022b_libxc6

Matches

Name	Value	Reference	Precision	Difference	Status
Bond stretch	2.254405750270000e+03	2.254405750090000e+03	2.970000000000000e-07	1.800003701646347e-07	PASS
Libration 1	3.213356139800000e+02	3.213565269400000e+02	3.610000000000000e-02	-2.091295999997556e-02	PASS

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