Input 01-casida.02-vib_modes.inp

Commits > Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 > Run cmake_foss_2022a_min_mpi

Matches

Name	Value	Reference	Precision	Difference	Status
Bond stretch	2.254405750270000e+03	2.254405750090000e+03	2.970000000000000e-07	1.800003701646347e-07	PASS
Libration 1	3.213454138700000e+02	3.213565269400000e+02	3.610000000000000e-02	-1.111306999996486e-02	PASS

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