Vibrational Frequencies calculated at CID/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 |
360 |
335 |
20.31 |
|
|
|
2 |
A1 |
162 |
151 |
8.35 |
|
|
|
3 |
E |
353 |
329 |
55.09 |
|
|
|
3 |
E |
353 |
329 |
55.09 |
|
|
|
4 |
E |
126 |
118 |
2.28 |
|
|
|
4 |
E |
126 |
118 |
2.28 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 739.9 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 689.3 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.