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 |
3309 |
3092 |
6.40 |
|
|
|
| 2 |
A1 |
1822 |
1703 |
234.34 |
|
|
|
| 3 |
A1 |
1455 |
1359 |
4.04 |
|
|
|
| 4 |
A1 |
951 |
889 |
63.79 |
|
|
|
| 5 |
A1 |
544 |
508 |
5.05 |
|
|
|
| 6 |
A2 |
743 |
694 |
0.00 |
|
|
|
| 7 |
B1 |
795 |
743 |
76.61 |
|
|
|
| 8 |
B1 |
627 |
586 |
6.50 |
|
|
|
| 9 |
B2 |
3427 |
3202 |
0.29 |
|
|
|
| 10 |
B2 |
1375 |
1285 |
219.54 |
|
|
|
| 11 |
B2 |
985 |
921 |
13.73 |
|
|
|
| 12 |
B2 |
437 |
408 |
1.30 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8234.6 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 7694.4 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.