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 |
3347 |
3128 |
9.53 |
|
|
|
| 2 |
A1 |
1810 |
1691 |
41.86 |
|
|
|
| 3 |
A1 |
1317 |
1230 |
27.12 |
|
|
|
| 4 |
A1 |
1048 |
979 |
60.36 |
|
|
|
| 5 |
A1 |
226 |
211 |
2.45 |
|
|
|
| 6 |
A2 |
843 |
788 |
0.00 |
|
|
|
| 7 |
A2 |
498 |
466 |
0.00 |
|
|
|
| 8 |
B1 |
806 |
753 |
29.79 |
|
|
|
| 9 |
B2 |
3323 |
3105 |
1.57 |
|
|
|
| 10 |
B2 |
1449 |
1354 |
30.18 |
|
|
|
| 11 |
B2 |
1173 |
1096 |
93.71 |
|
|
|
| 12 |
B2 |
773 |
722 |
27.64 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8307.1 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 7762.1 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.