Input 01-casida.02-vib_modes.inp

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run foss-serial-min: [foss2023a-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 3.213951397800000e+02 3.214104111100000e+02 1.680000000000000e-02 -1.527133000001868e-02 PASS
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