Input 01-casida.02-vib_modes.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > 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

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