Vibrational Frequencies calculated at MP2/6-311G**
| 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 |
2251 |
2139 |
0.00 |
|
|
|
| 2 |
Σg |
859 |
816 |
0.00 |
|
|
|
| 3 |
Σu |
2047 |
1945 |
13.78 |
|
|
|
| 4 |
Πg |
539 |
512 |
0.00 |
|
|
|
| 4 |
Πg |
539 |
512 |
0.00 |
|
|
|
| 5 |
Πu |
246 |
234 |
17.68 |
|
|
|
| 5 |
Πu |
246 |
234 |
17.68 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3363.4 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3195.9 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.