Input 01-casida.02-vib_modes.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run spack_foss-2023a_mpi_omp

Matches

Name	Value	Reference	Precision	Difference	Status
Bond stretch	2.254370315750000e+03	2.254370315750000e+03	1.130000000000000e-07	0.000000000000000e+00	PASS
Libration 1	3.213946947500000e+02	3.214002369900000e+02	8.810000000000000e-03	-5.542240000011134e-03	PASS

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