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 |
A' |
1788 |
1699 |
346.72 |
87.71 |
0.20 |
0.33 |
| 2 |
A' |
928 |
882 |
14.48 |
35.51 |
0.32 |
0.49 |
| 3 |
A' |
562 |
534 |
1.78 |
111.90 |
0.48 |
0.65 |
Unscaled Zero Point Vibrational Energy (zpe) 1638.6 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 1557.0 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.