Input 01-casida.02-vib_modes.inp

Commits > Commit fa579c158b779976d5f0fa5d04f6d011c21f022f > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Bond stretch 2.254405750290000e+03 2.254405750090000e+03 2.970000000000000e-07 2.000001586566214e-07 PASS
Libration 1 3.213537135500000e+02 3.213565269400000e+02 3.610000000000000e-02 -2.813389999971605e-03 PASS
Compare to other inputs