Input 01-casida.02-vib_modes.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Bond stretch 2.254405750300000e+03 2.254405750090000e+03 2.970000000000000e-07 2.100000529026147e-07 PASS
Libration 1 3.213678279800000e+02 3.213565269400000e+02 3.610000000000000e-02 1.130104000003485e-02 PASS
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