Input 01-casida.02-vib_modes.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_foss-2023a_serial_omp

Matches

Name	Value	Reference	Precision	Difference	Status
Bond stretch	2.254405750290000e+03	2.254405750090000e+03	2.970000000000000e-07	2.000001586566214e-07	PASS
Libration 1	3.213549964600000e+02	3.213565269400000e+02	3.610000000000000e-02	-1.530479999985346e-03	PASS

Compare to other inputs