Vibrational Frequencies calculated at MP2/6-31G
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A' |
3961 |
3790 |
0.00 |
|
|
|
| 2 |
A' |
733 |
702 |
0.00 |
|
|
|
| 3 |
A' |
429 |
410 |
0.00 |
|
|
|
| 4 |
A" |
393 |
376 |
921.75 |
|
|
|
| 5 |
A" |
290 |
277 |
2.32 |
|
|
|
| 6 |
E' |
3961 |
3790 |
158.25 |
|
|
|
| 6 |
E' |
3961 |
3790 |
158.25 |
|
|
|
| 7 |
E' |
975 |
933 |
137.76 |
|
|
|
| 7 |
E' |
975 |
933 |
137.76 |
|
|
|
| 8 |
E' |
427 |
409 |
371.54 |
|
|
|
| 8 |
E' |
427 |
409 |
371.54 |
|
|
|
| 9 |
E' |
250 |
239 |
71.63 |
|
|
|
| 9 |
E' |
250 |
239 |
71.63 |
|
|
|
| 10 |
E" |
348 |
333 |
0.00 |
|
|
|
| 10 |
E" |
348 |
333 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8863.1 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 8480.2 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.