Vibrational Frequencies calculated at MP2/6-31G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A |
3815 |
3572 |
34.12 |
|
|
|
| 2 |
A |
3384 |
3169 |
6.82 |
|
|
|
| 3 |
A |
3232 |
3027 |
11.32 |
|
|
|
| 4 |
A |
1494 |
1399 |
6.11 |
|
|
|
| 5 |
A |
1376 |
1289 |
59.28 |
|
|
|
| 6 |
A |
1227 |
1149 |
28.22 |
|
|
|
| 7 |
A |
1187 |
1112 |
14.80 |
|
|
|
| 8 |
A |
919 |
861 |
11.53 |
|
|
|
| 9 |
A |
831 |
778 |
30.89 |
|
|
|
| 10 |
A |
488 |
457 |
1.79 |
|
|
|
| 11 |
A |
299 |
280 |
30.87 |
|
|
|
| 12 |
A |
201 |
188 |
121.84 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9225.6 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 8639.7 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.