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 |
2512 |
2387 |
0.00 |
|
|
|
2 |
Σg |
784 |
746 |
0.00 |
|
|
|
3 |
Σu |
1381 |
1312 |
316.23 |
|
|
|
4 |
Πg |
323 |
306 |
0.00 |
|
|
|
4 |
Πg |
323 |
306 |
0.00 |
|
|
|
5 |
Πu |
291 |
277 |
0.30 |
|
|
|
5 |
Πu |
291 |
277 |
0.30 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2952.3 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 2805.6 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.