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 |
1112 |
1039 |
510.16 |
|
|
|
2 |
A1 |
759 |
709 |
51.12 |
|
|
|
3 |
A1 |
350 |
327 |
0.30 |
|
|
|
4 |
E |
1277 |
1193 |
262.25 |
|
|
|
4 |
E |
1277 |
1193 |
262.25 |
|
|
|
5 |
E |
543 |
508 |
2.45 |
|
|
|
5 |
E |
543 |
508 |
2.45 |
|
|
|
6 |
E |
308 |
288 |
0.04 |
|
|
|
6 |
E |
308 |
288 |
0.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3238.8 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 3026.3 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.