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 |
A1 |
857 |
803 |
174.66 |
|
|
|
2 |
A1 |
524 |
491 |
50.41 |
|
|
|
3 |
A1 |
248 |
232 |
33.29 |
|
|
|
4 |
B1 |
271 |
254 |
104.98 |
|
|
|
5 |
B2 |
984 |
922 |
133.04 |
|
|
|
6 |
B2 |
194 |
182 |
17.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1538.9 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 1441.2 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.