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 |
A' |
3366 |
3145 |
7.00 |
|
|
|
| 2 |
A' |
1872 |
1749 |
60.65 |
|
|
|
| 3 |
A' |
1419 |
1326 |
112.88 |
|
|
|
| 4 |
A' |
1321 |
1234 |
175.26 |
|
|
|
| 5 |
A' |
1205 |
1126 |
121.21 |
|
|
|
| 6 |
A' |
951 |
888 |
54.62 |
|
|
|
| 7 |
A' |
622 |
581 |
3.22 |
|
|
|
| 8 |
A' |
482 |
450 |
2.38 |
|
|
|
| 9 |
A' |
225 |
210 |
4.62 |
|
|
|
| 10 |
A" |
775 |
724 |
27.24 |
|
|
|
| 11 |
A" |
559 |
522 |
2.79 |
|
|
|
| 12 |
A" |
311 |
291 |
4.92 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6553.5 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 6123.6 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.