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' |
495 |
465 |
0.00 |
8.91 |
0.07 |
0.13 |
| 2 |
A2" |
475 |
447 |
7.18 |
0.00 |
0.75 |
0.86 |
| 3 |
E' |
1000 |
941 |
412.57 |
0.00 |
0.75 |
0.86 |
| 3 |
E' |
1000 |
941 |
412.57 |
0.00 |
0.75 |
0.86 |
| 4 |
E' |
271 |
255 |
0.82 |
3.53 |
0.75 |
0.86 |
| 4 |
E' |
271 |
255 |
0.82 |
3.53 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1756.2 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 1651.9 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.