Vibrational Frequencies calculated at MP3=FULL/6-31+G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
Σ |
3578 |
3333 |
87.66 |
|
|
|
| 2 |
Σ |
2368 |
2206 |
106.29 |
|
|
|
| 3 |
Σ |
1083 |
1009 |
83.23 |
|
|
|
| 4 |
Π |
616 |
574 |
60.02 |
|
|
|
| 5 |
Π |
616 |
574 |
60.02 |
|
|
|
| 6 |
Π |
416 |
388 |
2.72 |
|
|
|
| 7 |
Π |
416 |
388 |
2.72 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4547.0 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 4236.0 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.