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 |
A' |
2108 |
1974 |
452.27 |
189.47 |
0.52 |
0.68 |
| 2 |
A' |
920 |
862 |
154.45 |
22.46 |
0.75 |
0.86 |
| 3 |
A' |
883 |
827 |
56.71 |
10.75 |
0.62 |
0.76 |
Unscaled Zero Point Vibrational Energy (zpe) 1955.5 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 1831.3 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.