Vibrational Frequencies calculated at CID/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 |
462 |
427 |
1.08 |
|
|
|
2 |
A1 |
239 |
221 |
0.32 |
|
|
|
3 |
E |
662 |
611 |
13.28 |
|
|
|
3 |
E |
662 |
611 |
13.28 |
|
|
|
4 |
E |
172 |
159 |
0.12 |
|
|
|
4 |
E |
172 |
159 |
0.12 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1184.2 cm
-1
Scaled (by 0.9237) Zero Point Vibrational Energy (zpe) 1093.8 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.