Input 01-casida.02-vib_modes.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_ppc_autotools: [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 3.214046537600000e+02 3.214002369900000e+02 8.810000000000000e-03 4.416769999977532e-03 PASS
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