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 |
Σ |
2371 |
2221 |
1057.98 |
|
|
|
2 |
Σ |
1937 |
1814 |
4.09 |
|
|
|
3 |
Σ |
955 |
894 |
0.02 |
|
|
|
4 |
Π |
583 |
546 |
23.67 |
|
|
|
4 |
Π |
583 |
546 |
23.67 |
|
|
|
5 |
Π |
177 |
166 |
7.29 |
|
|
|
5 |
Π |
177 |
166 |
7.29 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3391.2 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 3175.9 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.