Input 01-casida.02-vib_modes.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Bond stretch | 2.254405750290000e+03 | 2.254405750090000e+03 | 2.970000000000000e-07 | 2.000001586566214e-07 | PASS |
Libration 1 | 3.213643695100000e+02 | 3.213565269400000e+02 | 3.610000000000000e-02 | 7.842570000036631e-03 | PASS |