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 |
1987 |
1873 |
269.75 |
|
|
|
| 2 |
A1 |
1152 |
1085 |
226.18 |
|
|
|
| 3 |
A1 |
684 |
645 |
4.52 |
|
|
|
| 4 |
A1 |
472 |
445 |
0.58 |
|
|
|
| 5 |
A1 |
281 |
265 |
0.04 |
|
|
|
| 6 |
A2 |
174 |
164 |
0.00 |
|
|
|
| 7 |
B1 |
720 |
678 |
22.25 |
|
|
|
| 8 |
B1 |
370 |
349 |
0.23 |
|
|
|
| 9 |
B2 |
1515 |
1427 |
151.13 |
|
|
|
| 10 |
B2 |
1094 |
1030 |
120.89 |
|
|
|
| 11 |
B2 |
504 |
475 |
0.70 |
|
|
|
| 12 |
B2 |
206 |
194 |
3.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4579.5 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 4314.8 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.