Vibrational Frequencies calculated at MP3/6-311G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A' |
3163 |
3163 |
14.76 |
|
|
|
| 2 |
A' |
1529 |
1529 |
1.17 |
|
|
|
| 3 |
A' |
1356 |
1356 |
91.29 |
|
|
|
| 4 |
A' |
1140 |
1140 |
193.76 |
|
|
|
| 5 |
A' |
585 |
585 |
36.52 |
|
|
|
| 6 |
A' |
277 |
277 |
0.54 |
|
|
|
| 7 |
A" |
3243 |
3243 |
5.91 |
|
|
|
| 8 |
A" |
1290 |
1290 |
3.89 |
|
|
|
| 9 |
A" |
894 |
894 |
0.37 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6738.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6738.7 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.