Vibrational Frequencies calculated at MP2/6-31+G**
| 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' |
1762 |
1657 |
222.62 |
|
|
|
| 2 |
A' |
952 |
896 |
2.46 |
|
|
|
| 3 |
A' |
762 |
717 |
39.73 |
|
|
|
| 4 |
A' |
313 |
294 |
154.66 |
|
|
|
| 5 |
A' |
246 |
231 |
50.69 |
|
|
|
| 6 |
A" |
331 |
311 |
0.53 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2182.8 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 2053.1 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.