Vibrational Frequencies calculated at MP3=FULL/6-311G**
| 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 |
3211 |
3211 |
18.95 |
|
|
|
| 2 |
A1 |
1858 |
1858 |
360.22 |
|
|
|
| 3 |
A1 |
1418 |
1418 |
0.02 |
|
|
|
| 4 |
A1 |
885 |
885 |
13.03 |
|
|
|
| 5 |
B1 |
736 |
736 |
84.60 |
|
|
|
| 6 |
B1 |
405 |
405 |
4.18 |
|
|
|
| 7 |
B2 |
3304 |
3304 |
1.37 |
|
|
|
| 8 |
B2 |
963 |
963 |
0.46 |
|
|
|
| 9 |
B2 |
362 |
362 |
3.18 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6571.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6571.0 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.