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 |
A |
884 |
833 |
88.23 |
|
|
|
| 2 |
A |
611 |
576 |
0.20 |
|
|
|
| 3 |
A |
293 |
276 |
0.01 |
|
|
|
| 4 |
A |
185 |
175 |
4.25 |
|
|
|
| 5 |
B |
860 |
810 |
166.05 |
|
|
|
| 6 |
B |
348 |
328 |
16.88 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1590.2 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 1498.3 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.