Vibrational Frequencies calculated at MP3=FULL/6-31G**
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' |
2822 |
2822 |
0.12 |
|
|
|
2 |
A' |
2400 |
2400 |
10.38 |
|
|
|
3 |
A' |
1035 |
1035 |
15.36 |
|
|
|
4 |
A' |
718 |
718 |
0.76 |
|
|
|
5 |
A' |
329 |
329 |
4.84 |
|
|
|
6 |
A" |
380 |
380 |
2.29 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3841.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3841.7 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.