Vibrational Frequencies calculated at CID/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 |
275 |
257 |
0.22 |
|
|
|
2 |
A1 |
214 |
200 |
1.48 |
|
|
|
3 |
E |
768 |
718 |
101.81 |
|
|
|
3 |
E |
768 |
718 |
101.81 |
|
|
|
4 |
E |
156 |
146 |
0.18 |
|
|
|
4 |
E |
156 |
146 |
0.18 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1168.1 cm
-1
Scaled (by 0.9352) Zero Point Vibrational Energy (zpe) 1092.4 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.