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' |
2029 |
1911 |
278.29 |
|
|
|
2 |
A' |
1030 |
970 |
110.37 |
|
|
|
3 |
A' |
865 |
815 |
190.16 |
|
|
|
4 |
A' |
759 |
715 |
7.60 |
|
|
|
5 |
A' |
312 |
294 |
0.20 |
|
|
|
6 |
A" |
360 |
339 |
3.23 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2676.8 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 2522.1 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.