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 |
798 |
747 |
0.00 |
|
|
|
2 |
E |
260 |
244 |
0.00 |
|
|
|
2 |
E |
260 |
244 |
0.00 |
|
|
|
3 |
T2 |
1056 |
989 |
218.67 |
|
|
|
3 |
T2 |
1056 |
989 |
218.67 |
|
|
|
3 |
T2 |
1056 |
989 |
218.67 |
|
|
|
4 |
T2 |
385 |
361 |
52.84 |
|
|
|
4 |
T2 |
385 |
361 |
52.84 |
|
|
|
4 |
T2 |
385 |
361 |
52.84 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2820.1 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 2641.0 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.