Vibrational Frequencies calculated at MP4/6-311+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 |
A1 |
3115 |
2940 |
|
|
|
|
| 2 |
A1 |
1484 |
1400 |
|
|
|
|
| 3 |
A1 |
728 |
687 |
|
|
|
|
| 4 |
A1 |
289 |
273 |
|
|
|
|
| 5 |
A2 |
1191 |
1124 |
|
|
|
|
| 6 |
B1 |
3192 |
3012 |
|
|
|
|
| 7 |
B1 |
912 |
861 |
|
|
|
|
| 8 |
B2 |
1303 |
1230 |
|
|
|
|
| 9 |
B2 |
783 |
739 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6498.0 cm
-1
Scaled (by 0.9438) Zero Point Vibrational Energy (zpe) 6132.8 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.