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 |
4123 |
3885 |
67.24 |
|
|
|
| 2 |
A |
3425 |
3227 |
37.37 |
|
|
|
| 3 |
A |
3288 |
3098 |
37.18 |
|
|
|
| 4 |
A |
1627 |
1533 |
22.11 |
|
|
|
| 5 |
A |
1483 |
1397 |
55.91 |
|
|
|
| 6 |
A |
1287 |
1213 |
120.64 |
|
|
|
| 7 |
A |
1156 |
1089 |
49.31 |
|
|
|
| 8 |
A |
856 |
807 |
27.42 |
|
|
|
| 9 |
A |
412 |
388 |
141.85 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8828.1 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 8317.9 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.