Vibrational Frequencies calculated at MP3/6-311+G(3df,2p)
| 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' |
3535 |
3535 |
0.68 |
|
|
|
| 2 |
A' |
3201 |
3201 |
22.19 |
|
|
|
| 3 |
A' |
3101 |
3101 |
33.36 |
|
|
|
| 4 |
A' |
1736 |
1736 |
15.38 |
|
|
|
| 5 |
A' |
1513 |
1513 |
6.97 |
|
|
|
| 6 |
A' |
1398 |
1398 |
35.97 |
|
|
|
| 7 |
A' |
1087 |
1087 |
35.27 |
|
|
|
| 8 |
A" |
1182 |
1182 |
43.17 |
|
|
|
| 9 |
A" |
1107 |
1107 |
18.06 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8929.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8929.5 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.