Vibrational Frequencies calculated at MP4/6-311G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
Σ |
2207 |
2140 |
|
|
|
|
| 2 |
Σ |
1786 |
1732 |
|
|
|
|
| 3 |
Σ |
896 |
869 |
|
|
|
|
| 4 |
Π |
572 |
554 |
|
|
|
|
| 4 |
Π |
572 |
554 |
|
|
|
|
| 5 |
Π |
150 |
145 |
|
|
|
|
| 5 |
Π |
150 |
145 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3166.1 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 3070.2 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.