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 |
1161 |
1094 |
0.18 |
|
|
|
| 2 |
A |
1144 |
1078 |
34.78 |
|
|
|
| 3 |
A |
556 |
524 |
0.26 |
|
|
|
| 4 |
A |
210 |
198 |
0.43 |
|
|
|
| 5 |
B |
1135 |
1070 |
66.27 |
|
|
|
| 6 |
B |
709 |
668 |
9.18 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2457.8 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 2315.7 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.