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 |
A1 |
548 |
514 |
0.33 |
|
|
|
2 |
A1 |
372 |
348 |
0.14 |
|
|
|
3 |
E |
685 |
642 |
56.58 |
|
|
|
3 |
E |
685 |
642 |
56.58 |
|
|
|
4 |
E |
273 |
256 |
0.55 |
|
|
|
4 |
E |
273 |
256 |
0.55 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1418.7 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 1328.6 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.