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 |
A1 |
1772 |
1718 |
|
|
|
|
| 2 |
A1 |
1035 |
1004 |
|
|
|
|
| 3 |
A1 |
626 |
607 |
|
|
|
|
| 4 |
A1 |
437 |
424 |
|
|
|
|
| 5 |
A1 |
267 |
258 |
|
|
|
|
| 6 |
A2 |
155 |
150 |
|
|
|
|
| 7 |
B1 |
573 |
556 |
|
|
|
|
| 8 |
B1 |
323 |
314 |
|
|
|
|
| 9 |
B2 |
1343 |
1302 |
|
|
|
|
| 10 |
B2 |
1002 |
972 |
|
|
|
|
| 11 |
B2 |
459 |
445 |
|
|
|
|
| 12 |
B2 |
188 |
182 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4089.5 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 3965.6 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.