Input 01-casida.02-vib_modes.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Bond stretch 2.254405750290000e+03 2.254405750090000e+03 2.970000000000000e-07 2.000001586566214e-07 PASS
Libration 1 3.213553203400000e+02 3.213565269400000e+02 3.610000000000000e-02 -1.206599999989066e-03 PASS
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