Input 01-casida.02-vib_modes.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Bond stretch 2.254405750270000e+03 2.254405750090000e+03 2.970000000000000e-07 1.800003701646347e-07 PASS
Libration 1 3.213529683000000e+02 3.213565269400000e+02 3.610000000000000e-02 -3.558639999994284e-03 PASS
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