Input 01-casida.02-vib_modes.inp

Commits > Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 > Run spack_foss-2022a_serial_debug

Matches

Name	Value	Reference	Precision	Difference	Status
Bond stretch	2.254405750290000e+03	2.254405750090000e+03	2.970000000000000e-07	2.000001586566214e-07	PASS
Libration 1	3.213574672300000e+02	3.213565269400000e+02	3.610000000000000e-02	9.402900000168302e-04	PASS

Compare to other inputs