Vibrational Frequencies calculated at MP2=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 |
Σg |
2265 |
2117 |
0.00 |
|
|
|
2 |
Σg |
870 |
813 |
0.00 |
|
|
|
3 |
Σu |
2070 |
1934 |
12.35 |
|
|
|
4 |
Πg |
554 |
518 |
0.00 |
|
|
|
4 |
Πg |
554 |
518 |
0.00 |
|
|
|
5 |
Πu |
244 |
228 |
18.91 |
|
|
|
5 |
Πu |
244 |
228 |
18.91 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3401.1 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 3178.0 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.