Vibrational Frequencies calculated at MP2/6-31G**
| 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 |
905 |
848 |
0.00 |
11.73 |
0.02 |
0.04 |
| 2 |
Σu |
1128 |
1056 |
92.97 |
0.00 |
0.00 |
0.00 |
| 3 |
Πu |
163 |
153 |
28.91 |
0.00 |
0.00 |
0.00 |
| 3 |
Πu |
163 |
153 |
28.91 |
0.00 |
0.00 |
0.00 |
Unscaled Zero Point Vibrational Energy (zpe) 1180.1 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 1105.2 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.