Input 01-casida.02-vib_modes.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run foss-ppc: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Bond stretch 2.254370315750000e+03 2.254370315750000e+03 1.130000000000000e-07 0.000000000000000e+00 PASS
Libration 1 3.214035350100000e+02 3.214104111100000e+02 1.680000000000000e-02 -6.876100000056340e-03 PASS
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