Input 01-casida.02-vib_modes.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Bond stretch 2.254405750350000e+03 2.254405750090000e+03 2.970000000000000e-07 2.599999788799323e-07 PASS
Libration 1 3.213521354600000e+02 3.213565269400000e+02 3.610000000000000e-02 -4.391479999981129e-03 PASS
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