Input 01-casida.02-vib_modes.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2022a_mpi_min

Matches

Name	Value	Reference	Precision	Difference	Status
Bond stretch	2.254405750280000e+03	2.254405750090000e+03	2.970000000000000e-07	1.900002644106280e-07	PASS
Libration 1	3.213419652700000e+02	3.213565269400000e+02	3.610000000000000e-02	-1.456166999997777e-02	PASS

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