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' |
3993 |
3762 |
528.17 |
|
|
|
2 |
A' |
2250 |
2120 |
1083.46 |
|
|
|
3 |
A' |
888 |
837 |
31.53 |
|
|
|
4 |
A' |
550 |
519 |
72.87 |
|
|
|
5 |
A' |
340 |
321 |
561.14 |
|
|
|
6 |
A" |
529 |
499 |
0.97 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4275.4 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 4028.2 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.