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 |
A |
3803 |
3688 |
|
|
|
|
| 2 |
A |
1378 |
1336 |
|
|
|
|
| 3 |
A |
1088 |
1055 |
|
|
|
|
| 4 |
A |
1077 |
1045 |
|
|
|
|
| 5 |
A |
709 |
688 |
|
|
|
|
| 6 |
A |
518 |
503 |
|
|
|
|
| 7 |
A |
407 |
395 |
|
|
|
|
| 8 |
A |
401 |
388 |
|
|
|
|
| 9 |
A |
282 |
274 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4832.1 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 4685.7 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.