Vibrational Frequencies calculated at MP2/6-31+G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1' |
652 |
614 |
0.00 |
10.25 |
0.04 |
0.08 |
| 2 |
A2" |
201 |
189 |
77.64 |
0.00 |
0.75 |
0.86 |
| 3 |
E' |
736 |
693 |
116.65 |
1.55 |
0.75 |
0.86 |
| 3 |
E' |
736 |
693 |
116.65 |
1.55 |
0.75 |
0.86 |
| 4 |
E' |
190 |
179 |
38.58 |
0.87 |
0.75 |
0.86 |
| 4 |
E' |
190 |
179 |
38.58 |
0.87 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1353.4 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 1273.0 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.