Vibrational Frequencies calculated at MP2=FULL/6-311G**
| 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 |
3302 |
3132 |
8.98 |
|
|
|
| 2 |
A1 |
1782 |
1690 |
48.70 |
|
|
|
| 3 |
A1 |
1305 |
1238 |
35.48 |
|
|
|
| 4 |
A1 |
1034 |
981 |
62.58 |
|
|
|
| 5 |
A1 |
234 |
222 |
2.57 |
|
|
|
| 6 |
A2 |
863 |
818 |
0.00 |
|
|
|
| 7 |
A2 |
516 |
490 |
0.00 |
|
|
|
| 8 |
B1 |
803 |
761 |
38.24 |
|
|
|
| 9 |
B2 |
3277 |
3109 |
2.67 |
|
|
|
| 10 |
B2 |
1413 |
1340 |
34.48 |
|
|
|
| 11 |
B2 |
1169 |
1109 |
110.82 |
|
|
|
| 12 |
B2 |
783 |
742 |
30.86 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8239.5 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 7816.0 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.