Vibrational Frequencies calculated at MP2=FULL/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' |
1737 |
1623 |
233.52 |
|
|
|
| 2 |
A' |
824 |
770 |
103.29 |
|
|
|
| 3 |
A' |
581 |
543 |
264.26 |
|
|
|
| 4 |
A' |
351 |
328 |
128.78 |
|
|
|
| 5 |
A' |
228 |
213 |
0.29 |
|
|
|
| 6 |
A" |
165 |
154 |
0.02 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1942.3 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 1814.9 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.