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 |
780 |
730 |
71.24 |
|
|
|
| 2 |
A1 |
368 |
344 |
99.70 |
|
|
|
| 3 |
E |
918 |
858 |
136.08 |
|
|
|
| 3 |
E |
918 |
858 |
136.08 |
|
|
|
| 4 |
E |
252 |
235 |
21.56 |
|
|
|
| 4 |
E |
252 |
235 |
21.56 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1743.1 cm
-1
Scaled (by 0.9352) Zero Point Vibrational Energy (zpe) 1630.2 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.