Vibrational Frequencies calculated at MP3=FULL/3-21G
| 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 |
866 |
866 |
52.60 |
|
|
|
| 2 |
A1 |
400 |
400 |
92.06 |
|
|
|
| 3 |
E |
1026 |
1026 |
104.08 |
|
|
|
| 3 |
E |
1026 |
1026 |
104.08 |
|
|
|
| 4 |
E |
292 |
292 |
18.64 |
|
|
|
| 4 |
E |
292 |
292 |
18.64 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1950.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1950.6 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.