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 |
A1 |
459 |
432 |
0.39 |
|
|
|
2 |
A1 |
223 |
210 |
0.43 |
|
|
|
3 |
E |
565 |
531 |
21.57 |
|
|
|
3 |
E |
565 |
531 |
21.57 |
|
|
|
4 |
E |
160 |
150 |
0.37 |
|
|
|
4 |
E |
160 |
150 |
0.37 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1065.6 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 1002.3 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.