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' |
3247 |
3060 |
42.83 |
|
|
|
| 2 |
A' |
2017 |
1901 |
384.46 |
|
|
|
| 3 |
A' |
1516 |
1429 |
17.36 |
|
|
|
| 4 |
A' |
1198 |
1128 |
131.36 |
|
|
|
| 5 |
A' |
637 |
600 |
51.53 |
|
|
|
| 6 |
A" |
1150 |
1084 |
4.87 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4882.9 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 4600.7 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.