Vibrational Frequencies calculated at MP2=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 |
3564 |
3331 |
3.48 |
|
|
|
| 2 |
A1 |
2465 |
2303 |
1687.00 |
|
|
|
| 3 |
A1 |
1185 |
1107 |
127.00 |
|
|
|
| 4 |
A1 |
200 |
187 |
23.88 |
|
|
|
| 5 |
E |
3720 |
3476 |
13.55 |
|
|
|
| 5 |
E |
3720 |
3476 |
13.55 |
|
|
|
| 6 |
E |
1717 |
1604 |
23.60 |
|
|
|
| 6 |
E |
1717 |
1604 |
23.60 |
|
|
|
| 7 |
E |
824 |
770 |
82.99 |
|
|
|
| 7 |
E |
824 |
770 |
82.99 |
|
|
|
| 8 |
E |
264 |
246 |
23.02 |
|
|
|
| 8 |
E |
264 |
246 |
23.02 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10232.0 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 9560.8 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.