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 |
3196 |
3196 |
19.06 |
|
|
|
| 2 |
A1 |
1859 |
1859 |
357.80 |
|
|
|
| 3 |
A1 |
1430 |
1430 |
0.26 |
|
|
|
| 4 |
A1 |
885 |
885 |
13.77 |
|
|
|
| 5 |
B1 |
737 |
737 |
96.02 |
|
|
|
| 6 |
B1 |
404 |
404 |
4.50 |
|
|
|
| 7 |
B2 |
3286 |
3286 |
1.30 |
|
|
|
| 8 |
B2 |
984 |
984 |
0.05 |
|
|
|
| 9 |
B2 |
364 |
364 |
3.79 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6572.2 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6572.2 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.