Vibrational Frequencies calculated at MP2/STO-3G
| 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 |
2135 |
1862 |
0.00 |
|
|
|
| 2 |
Σg |
792 |
691 |
0.00 |
|
|
|
| 3 |
Σu |
1886 |
1645 |
89.63 |
|
|
|
| 4 |
Πg |
530 |
462 |
0.00 |
|
|
|
| 4 |
Πg |
530 |
462 |
0.00 |
|
|
|
| 5 |
Πu |
223 |
195 |
10.20 |
|
|
|
| 5 |
Πu |
223 |
195 |
10.20 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3159.9 cm
-1
Scaled (by 0.8719) Zero Point Vibrational Energy (zpe) 2755.1 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.