Vibrational Frequencies calculated at MP2=FULL/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' |
4007 |
3801 |
0.00 |
|
|
|
| 2 |
A' |
707 |
671 |
0.00 |
|
|
|
| 3 |
A' |
629 |
597 |
0.00 |
|
|
|
| 4 |
A" |
329 |
312 |
488.29 |
|
|
|
| 5 |
A" |
285 |
271 |
12.06 |
|
|
|
| 6 |
E' |
4006 |
3800 |
121.47 |
|
|
|
| 6 |
E' |
4006 |
3800 |
121.47 |
|
|
|
| 7 |
E' |
955 |
906 |
163.77 |
|
|
|
| 7 |
E' |
955 |
906 |
163.77 |
|
|
|
| 8 |
E' |
645 |
612 |
235.54 |
|
|
|
| 8 |
E' |
645 |
612 |
235.54 |
|
|
|
| 9 |
E' |
229 |
217 |
37.82 |
|
|
|
| 9 |
E' |
229 |
217 |
37.82 |
|
|
|
| 10 |
E" |
351 |
333 |
0.00 |
|
|
|
| 10 |
E" |
351 |
333 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9164.7 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 8693.6 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.