Vibrational Frequencies calculated at HF/6-311G**
| 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' |
1017 |
924 |
0.00 |
|
|
|
| 2 |
A2" |
339 |
308 |
54.90 |
|
|
|
| 3 |
E' |
1116 |
1014 |
121.77 |
|
|
|
| 3 |
E' |
1116 |
1014 |
121.77 |
|
|
|
| 4 |
E' |
401 |
364 |
50.10 |
|
|
|
| 4 |
E' |
401 |
364 |
50.10 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2194.0 cm
-1
Scaled (by 0.9085) Zero Point Vibrational Energy (zpe) 1993.3 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.