Vibrational Frequencies calculated at MP3=FULL/6-311G**
| 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 |
3555 |
3555 |
0.97 |
|
|
|
| 2 |
A1 |
2577 |
2577 |
1412.32 |
|
|
|
| 3 |
A1 |
1196 |
1196 |
131.18 |
|
|
|
| 4 |
A1 |
191 |
191 |
18.45 |
|
|
|
| 5 |
E |
3678 |
3678 |
7.92 |
|
|
|
| 5 |
E |
3678 |
3678 |
7.92 |
|
|
|
| 6 |
E |
1679 |
1679 |
21.38 |
|
|
|
| 6 |
E |
1679 |
1679 |
21.38 |
|
|
|
| 7 |
E |
769 |
769 |
66.83 |
|
|
|
| 7 |
E |
769 |
769 |
66.83 |
|
|
|
| 8 |
E |
252 |
252 |
19.57 |
|
|
|
| 8 |
E |
252 |
252 |
19.57 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10136.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10136.7 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.