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 |
350 |
350 |
17.43 |
|
|
|
| 2 |
A1 |
157 |
157 |
7.69 |
|
|
|
| 3 |
E |
344 |
344 |
48.77 |
|
|
|
| 3 |
E |
344 |
344 |
48.77 |
|
|
|
| 4 |
E |
122 |
122 |
2.13 |
|
|
|
| 4 |
E |
122 |
122 |
2.13 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 718.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 718.8 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.