Input 01-casida.02-vib_modes.inp

Commits > Commit c18e6529b073b7f96582e125ea28d09e3ac5067c > Run spack_foss-2022a_serial

Matches

Name Value Reference Precision Difference Status
Bond stretch 2.254405750290000e+03 2.254405750090000e+03 2.970000000000000e-07 2.000001586566214e-07 PASS
Libration 1 3.213574672300000e+02 3.213565269400000e+02 3.610000000000000e-02 9.402900000168302e-04 PASS
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