Vibrational Frequencies calculated at MP3=FULL/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 |
3184 |
3184 |
22.93 |
|
|
|
| 2 |
A1 |
1468 |
1468 |
19.27 |
|
|
|
| 3 |
A1 |
783 |
783 |
22.25 |
|
|
|
| 4 |
E |
3293 |
3293 |
8.30 |
|
|
|
| 4 |
E |
3293 |
3293 |
8.30 |
|
|
|
| 5 |
E |
1550 |
1550 |
4.38 |
|
|
|
| 5 |
E |
1550 |
1550 |
4.38 |
|
|
|
| 6 |
E |
1081 |
1081 |
2.82 |
|
|
|
| 6 |
E |
1081 |
1081 |
2.82 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8641.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8641.4 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.