Input 04-vib_modes.02-vib_modes.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Infrared Intensity | 3.046609000000000e-01 | 3.046609000000000e-01 | 1.520000000000000e-06 | 0.000000000000000e+00 | PASS |
Dynamical Matrix Entry | -1.827731410280000e-02 | -1.827731410300000e-02 | 9.140000000000000e-12 | 1.999997389923180e-13 | PASS |