Vibrational Frequencies calculated at MP2/6-31G**
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' |
1718 |
1609 |
157.32 |
|
|
|
2 |
A' |
978 |
916 |
2.61 |
|
|
|
3 |
A' |
796 |
746 |
36.31 |
|
|
|
4 |
A' |
368 |
345 |
162.32 |
|
|
|
5 |
A' |
285 |
267 |
27.25 |
|
|
|
6 |
A" |
359 |
336 |
0.45 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2252.0 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 2109.0 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.