Input 01-casida.02-vib_modes.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2023a_mpi_debug

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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