Vibrational Frequencies calculated at HF/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 |
A' |
3357 |
3163 |
40.01 |
|
|
|
| 2 |
A' |
2102 |
1981 |
367.39 |
|
|
|
| 3 |
A' |
1539 |
1450 |
7.08 |
|
|
|
| 4 |
A' |
1249 |
1177 |
278.70 |
|
|
|
| 5 |
A' |
738 |
696 |
29.94 |
|
|
|
| 6 |
A" |
1177 |
1109 |
5.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5080.9 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 4787.2 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.