Input 01-casida.02-vib_modes.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run foss-min-parallel: [foss2023b-mpi]

Matches

Name Value Reference Precision Difference Status
Bond stretch 2.254370315750000e+03 2.254370315750000e+03 1.130000000000000e-07 0.000000000000000e+00 PASS
Libration 1 3.214092830500000e+02 3.214002369900000e+02 8.810000000000000e-03 9.046060000002853e-03 FAIL
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