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' |
4128 |
3889 |
114.08 |
|
|
|
| 2 |
A' |
3438 |
3239 |
10.59 |
|
|
|
| 3 |
A' |
3325 |
3133 |
5.24 |
|
|
|
| 4 |
A' |
1939 |
1827 |
0.11 |
|
|
|
| 5 |
A' |
1604 |
1511 |
23.09 |
|
|
|
| 6 |
A' |
1511 |
1423 |
101.06 |
|
|
|
| 7 |
A' |
1315 |
1239 |
21.77 |
|
|
|
| 8 |
A' |
1074 |
1012 |
112.82 |
|
|
|
| 9 |
A' |
580 |
547 |
8.49 |
|
|
|
| 10 |
A" |
1135 |
1069 |
34.09 |
|
|
|
| 11 |
A" |
879 |
828 |
1.09 |
|
|
|
| 12 |
A" |
408 |
385 |
174.46 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10667.6 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 10051.0 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.