Vibrational Frequencies calculated at MP3=FULL/3-21G
| 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 |
3242 |
3242 |
5.15 |
|
|
|
| 2 |
A |
1357 |
1357 |
23.66 |
|
|
|
| 3 |
A |
1248 |
1248 |
80.89 |
|
|
|
| 4 |
A |
1140 |
1140 |
123.36 |
|
|
|
| 5 |
A |
701 |
701 |
173.53 |
|
|
|
| 6 |
A |
616 |
616 |
32.90 |
|
|
|
| 7 |
A |
362 |
362 |
2.87 |
|
|
|
| 8 |
A |
293 |
293 |
0.22 |
|
|
|
| 9 |
A |
206 |
206 |
0.64 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4582.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4582.5 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.