Vibrational Frequencies calculated at MP2=FULL/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 |
A1 |
1352 |
1264 |
164.63 |
|
|
|
| 2 |
A1 |
810 |
757 |
220.93 |
|
|
|
| 3 |
A1 |
558 |
521 |
81.02 |
|
|
|
| 4 |
B1 |
737 |
689 |
11.41 |
|
|
|
| 5 |
B2 |
2013 |
1881 |
226.64 |
|
|
|
| 6 |
B2 |
547 |
511 |
7.53 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3008.7 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 2811.3 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.