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' |
4025 |
3793 |
167.44 |
|
|
|
| 2 |
A' |
1979 |
1865 |
636.35 |
|
|
|
| 3 |
A' |
1608 |
1515 |
360.21 |
|
|
|
| 4 |
A' |
1506 |
1419 |
172.06 |
|
|
|
| 5 |
A' |
1138 |
1072 |
112.72 |
|
|
|
| 6 |
A' |
783 |
738 |
7.77 |
|
|
|
| 7 |
A' |
685 |
645 |
12.45 |
|
|
|
| 8 |
A" |
909 |
856 |
37.64 |
|
|
|
| 9 |
A" |
550 |
518 |
162.60 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6591.4 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 6210.4 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.