Vibrational Frequencies calculated at HF/6-31G*
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
811 |
765 |
64.24 |
10.47 |
0.16 |
0.28 |
| 2 |
A1 |
300 |
283 |
8.74 |
0.94 |
0.71 |
0.83 |
| 3 |
B2 |
792 |
747 |
102.11 |
7.03 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 952.0 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 896.9 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.