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 |
365 |
341 |
19.33 |
|
|
|
| 2 |
A1 |
196 |
184 |
6.22 |
|
|
|
| 3 |
E |
352 |
329 |
51.10 |
|
|
|
| 3 |
E |
352 |
329 |
51.10 |
|
|
|
| 4 |
E |
168 |
157 |
2.29 |
|
|
|
| 4 |
E |
168 |
157 |
2.29 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 800.6 cm
-1
Scaled (by 0.9352) Zero Point Vibrational Energy (zpe) 748.7 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.