Vibrational Frequencies calculated at MP2/6-311G**
| 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 |
1747 |
1660 |
0.00 |
|
|
|
| 2 |
A1 |
989 |
940 |
57.11 |
|
|
|
| 3 |
A1 |
392 |
372 |
4.62 |
|
|
|
| 4 |
A1 |
237 |
225 |
0.02 |
|
|
|
| 5 |
A2 |
237 |
225 |
0.00 |
|
|
|
| 6 |
B1 |
140 |
133 |
0.08 |
|
|
|
| 7 |
B2 |
1697 |
1613 |
393.22 |
|
|
|
| 8 |
B2 |
726 |
690 |
0.88 |
|
|
|
| 9 |
B2 |
231 |
219 |
1146.25 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3197.6 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3038.3 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.