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 |
3589 |
3382 |
4.27 |
|
|
|
2 |
A1 |
1668 |
1572 |
35.16 |
|
|
|
3 |
A1 |
931 |
878 |
0.10 |
|
|
|
4 |
E |
3686 |
3473 |
5.13 |
|
|
|
4 |
E |
3686 |
3473 |
5.13 |
|
|
|
5 |
E |
1850 |
1743 |
21.57 |
|
|
|
5 |
E |
1850 |
1743 |
21.57 |
|
|
|
6 |
E |
1214 |
1144 |
24.17 |
|
|
|
6 |
E |
1214 |
1144 |
24.17 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9844.6 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 9275.6 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.