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' |
1463 |
1379 |
244.47 |
|
|
|
2 |
A' |
940 |
886 |
219.13 |
|
|
|
3 |
A' |
589 |
555 |
45.26 |
|
|
|
4 |
A' |
417 |
393 |
8.06 |
|
|
|
5 |
A" |
889 |
838 |
234.65 |
|
|
|
6 |
A" |
425 |
401 |
9.78 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2362.1 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 2225.6 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.