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 |
3236 |
3049 |
0.22 |
|
|
|
2 |
A1 |
1639 |
1545 |
12.22 |
|
|
|
3 |
A1 |
1438 |
1354 |
0.02 |
|
|
|
4 |
B1 |
1032 |
973 |
31.84 |
|
|
|
5 |
B2 |
3321 |
3129 |
16.39 |
|
|
|
6 |
B2 |
1073 |
1011 |
15.05 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5869.2 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 5529.9 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.