Vibrational Frequencies calculated at MP2=FULL/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 |
A' |
811 |
762 |
171.83 |
|
|
|
| 2 |
A' |
668 |
627 |
270.54 |
|
|
|
| 3 |
A' |
379 |
356 |
10.57 |
|
|
|
| 4 |
A' |
312 |
293 |
8.71 |
|
|
|
| 5 |
A" |
625 |
587 |
183.34 |
|
|
|
| 6 |
A" |
252 |
237 |
0.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1523.6 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 1431.0 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.