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 |
2962 |
2768 |
305.11 |
|
|
|
| 2 |
A1 |
1557 |
1455 |
147.54 |
|
|
|
| 3 |
A1 |
1234 |
1153 |
295.65 |
|
|
|
| 4 |
A1 |
487 |
455 |
35.21 |
|
|
|
| 5 |
E |
3001 |
2805 |
156.97 |
|
|
|
| 5 |
E |
3001 |
2805 |
156.97 |
|
|
|
| 6 |
E |
1560 |
1457 |
4.67 |
|
|
|
| 6 |
E |
1560 |
1457 |
4.67 |
|
|
|
| 7 |
E |
1223 |
1143 |
1.01 |
|
|
|
| 7 |
E |
1223 |
1143 |
1.01 |
|
|
|
| 8 |
E |
110 |
102 |
34.77 |
|
|
|
| 8 |
E |
110 |
102 |
34.77 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9014.4 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 8423.1 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.