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' |
2053 |
1934 |
193.03 |
|
|
|
| 2 |
A' |
1215 |
1145 |
17.10 |
|
|
|
| 3 |
A' |
950 |
895 |
29.10 |
|
|
|
| 4 |
A' |
853 |
803 |
224.89 |
|
|
|
| 5 |
A' |
397 |
374 |
2.07 |
|
|
|
| 6 |
A" |
381 |
359 |
0.95 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2924.3 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 2755.3 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.