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 |
915 |
870 |
0.00 |
14.45 |
0.06 |
0.10 |
| 2 |
Σu |
1143 |
1086 |
97.64 |
0.00 |
0.00 |
0.00 |
| 3 |
Πu |
184 |
175 |
28.96 |
0.00 |
0.00 |
0.00 |
| 3 |
Πu |
184 |
175 |
28.96 |
0.00 |
0.00 |
0.00 |
Unscaled Zero Point Vibrational Energy (zpe) 1213.5 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 1153.2 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.