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' |
3240 |
3035 |
14.84 |
|
|
|
| 2 |
A' |
1551 |
1452 |
11.57 |
|
|
|
| 3 |
A' |
1211 |
1134 |
101.19 |
|
|
|
| 4 |
A' |
770 |
721 |
22.37 |
|
|
|
| 5 |
A" |
3399 |
3183 |
20.71 |
|
|
|
| 6 |
A" |
1217 |
1139 |
8.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5693.7 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 5332.2 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.