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 |
3248 |
3034 |
0.14 |
|
|
|
| 2 |
A1 |
2376 |
2220 |
41.39 |
|
|
|
| 3 |
A1 |
1455 |
1360 |
2.87 |
|
|
|
| 4 |
A1 |
1016 |
949 |
49.19 |
|
|
|
| 5 |
A1 |
963 |
900 |
18.93 |
|
|
|
| 6 |
A2 |
758 |
708 |
0.00 |
|
|
|
| 7 |
B1 |
794 |
742 |
36.34 |
|
|
|
| 8 |
B1 |
465 |
434 |
30.34 |
|
|
|
| 9 |
B2 |
3352 |
3132 |
0.26 |
|
|
|
| 10 |
B2 |
2400 |
2243 |
122.98 |
|
|
|
| 11 |
B2 |
862 |
806 |
78.39 |
|
|
|
| 12 |
B2 |
479 |
448 |
6.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9084.2 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 8488.2 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.