Vibrational Frequencies calculated at MP3=FULL/6-311+G(3df,2p)
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' |
3581 |
3581 |
39.51 |
|
|
|
2 |
A' |
1045 |
1045 |
41.75 |
|
|
|
3 |
A' |
663 |
663 |
2.13 |
|
|
|
4 |
A' |
308 |
308 |
0.07 |
|
|
|
5 |
A" |
1402 |
1402 |
0.41 |
|
|
|
6 |
A" |
771 |
771 |
26.41 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3884.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3884.9 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.