Vibrational Frequencies calculated at MP2/6-31G**
| 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' |
1733 |
1623 |
233.16 |
|
|
|
| 2 |
A' |
821 |
769 |
104.10 |
|
|
|
| 3 |
A' |
578 |
542 |
264.02 |
|
|
|
| 4 |
A' |
350 |
328 |
126.78 |
|
|
|
| 5 |
A' |
227 |
213 |
0.24 |
|
|
|
| 6 |
A" |
164 |
153 |
0.02 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1936.5 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 1813.5 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.