Vibrational Frequencies calculated at MP3=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 |
A' |
3348 |
3348 |
0.07 |
|
|
|
| 2 |
A' |
3240 |
3240 |
3.59 |
|
|
|
| 3 |
A' |
1762 |
1762 |
140.77 |
|
|
|
| 4 |
A' |
1441 |
1441 |
5.48 |
|
|
|
| 5 |
A' |
1253 |
1253 |
200.68 |
|
|
|
| 6 |
A' |
989 |
989 |
32.63 |
|
|
|
| 7 |
A' |
723 |
723 |
43.48 |
|
|
|
| 8 |
A' |
445 |
445 |
2.27 |
|
|
|
| 9 |
A' |
382 |
382 |
0.05 |
|
|
|
| 10 |
A" |
866 |
866 |
63.37 |
|
|
|
| 11 |
A" |
742 |
742 |
0.30 |
|
|
|
| 12 |
A" |
535 |
535 |
0.27 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7862.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7862.6 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.