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' |
2119 |
1996 |
207.91 |
12.71 |
0.29 |
0.44 |
| 2 |
A' |
992 |
934 |
293.52 |
6.80 |
0.38 |
0.55 |
| 3 |
A' |
731 |
689 |
78.74 |
7.52 |
0.45 |
0.62 |
Unscaled Zero Point Vibrational Energy (zpe) 1920.5 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 1809.5 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.