Vibrational Frequencies calculated at MP4/6-31G**
| 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 |
2983 |
2816 |
|
|
|
|
| 2 |
A1 |
1774 |
1675 |
|
|
|
|
| 3 |
A1 |
1566 |
1478 |
|
|
|
|
| 4 |
B1 |
1198 |
1130 |
|
|
|
|
| 5 |
B2 |
3050 |
2879 |
|
|
|
|
| 6 |
B2 |
1285 |
1212 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5928.1 cm
-1
Scaled (by 0.9438) Zero Point Vibrational Energy (zpe) 5595.0 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.