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 |
A1' |
2048 |
1930 |
0.00 |
|
|
|
| 2 |
A2" |
749 |
706 |
289.61 |
|
|
|
| 3 |
E' |
2029 |
1912 |
290.24 |
|
|
|
| 3 |
E' |
2029 |
1912 |
290.24 |
|
|
|
| 4 |
E' |
826 |
779 |
192.06 |
|
|
|
| 4 |
E' |
826 |
779 |
192.06 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4254.1 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 4008.3 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.