Input 01-casida.02-vib_modes.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2023a_mpi

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

Compare to other inputs