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 |
A1 |
2470 |
2470 |
76.50 |
|
|
|
| 2 |
A1 |
874 |
874 |
98.44 |
|
|
|
| 3 |
A1 |
429 |
429 |
92.47 |
|
|
|
| 4 |
E |
1031 |
1031 |
310.91 |
|
|
|
| 4 |
E |
1031 |
1031 |
310.91 |
|
|
|
| 5 |
E |
885 |
885 |
29.07 |
|
|
|
| 5 |
E |
885 |
885 |
29.07 |
|
|
|
| 6 |
E |
313 |
313 |
16.44 |
|
|
|
| 6 |
E |
313 |
313 |
16.44 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4114.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4114.6 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.