Input 04-vib_modes.03-vib_modes_restart.inp

Commits > Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Vibrational Frequency 1.422976794490000e+03 1.422976794490000e+03 7.109999999999999e-08 0.000000000000000e+00 PASS
Infrared Intensity 3.046603000000000e-01 3.046609000000000e-01 1.520000000000000e-06 -6.000000000172534e-07 PASS
Dynamical Matrix Entry -1.827804281210000e-02 -1.827804281205000e-02 5.500000000000000e-14 -4.999820002460353e-14 PASS
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