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 |
450 |
424 |
4.33 |
30.12 |
0.12 |
0.21 |
| 2 |
A1 |
143 |
134 |
0.19 |
5.54 |
0.51 |
0.68 |
| 3 |
B2 |
481 |
453 |
27.48 |
19.66 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 536.4 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 505.4 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.