Vibrational Frequencies calculated at MP3/6-311G*
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A' |
3156 |
3156 |
13.81 |
|
|
|
| 2 |
A' |
1539 |
1539 |
0.51 |
|
|
|
| 3 |
A' |
1365 |
1365 |
86.54 |
|
|
|
| 4 |
A' |
1136 |
1136 |
197.55 |
|
|
|
| 5 |
A' |
583 |
583 |
39.64 |
|
|
|
| 6 |
A' |
276 |
276 |
0.49 |
|
|
|
| 7 |
A" |
3240 |
3240 |
5.10 |
|
|
|
| 8 |
A" |
1293 |
1293 |
3.55 |
|
|
|
| 9 |
A" |
904 |
904 |
0.70 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6745.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6745.8 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.