Input 01-casida.02-vib_modes.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > 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

Compare to other inputs