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 |
3132 |
2926 |
11.84 |
|
|
|
| 2 |
A1 |
1264 |
1181 |
5.78 |
|
|
|
| 3 |
A1 |
544 |
508 |
14.05 |
|
|
|
| 4 |
E |
3237 |
3024 |
11.82 |
|
|
|
| 4 |
E |
3237 |
3024 |
11.82 |
|
|
|
| 5 |
E |
1484 |
1386 |
3.98 |
|
|
|
| 5 |
E |
1484 |
1386 |
3.98 |
|
|
|
| 6 |
E |
648 |
605 |
1.74 |
|
|
|
| 6 |
E |
648 |
605 |
1.74 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7837.1 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 7323.0 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.