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 |
3040 |
2865 |
247.53 |
|
|
|
| 2 |
A1 |
1658 |
1562 |
106.04 |
|
|
|
| 3 |
A1 |
1319 |
1242 |
282.22 |
|
|
|
| 4 |
A1 |
498 |
469 |
47.14 |
|
|
|
| 5 |
E |
3030 |
2855 |
257.51 |
|
|
|
| 5 |
E |
3030 |
2855 |
257.51 |
|
|
|
| 6 |
E |
1655 |
1559 |
5.83 |
|
|
|
| 6 |
E |
1655 |
1559 |
5.83 |
|
|
|
| 7 |
E |
1307 |
1231 |
1.57 |
|
|
|
| 7 |
E |
1307 |
1231 |
1.57 |
|
|
|
| 8 |
E |
114 |
108 |
44.29 |
|
|
|
| 8 |
E |
114 |
108 |
44.29 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9363.7 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 8822.5 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.