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 |
2069 |
1966 |
0.00 |
|
|
|
2 |
Σg |
620 |
589 |
0.00 |
|
|
|
3 |
Σu |
1893 |
1799 |
43.00 |
|
|
|
4 |
Πg |
511 |
486 |
0.00 |
|
|
|
4 |
Πg |
511 |
486 |
0.00 |
|
|
|
5 |
Πu |
221 |
210 |
39.31 |
|
|
|
5 |
Πu |
221 |
210 |
39.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3022.7 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 2872.4 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.