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 |
1273 |
1210 |
160.60 |
|
|
|
| 2 |
A1 |
799 |
759 |
153.94 |
|
|
|
| 3 |
A1 |
525 |
498 |
30.71 |
|
|
|
| 4 |
A1 |
363 |
345 |
0.01 |
|
|
|
| 5 |
A2 |
367 |
349 |
0.00 |
|
|
|
| 6 |
B1 |
840 |
798 |
266.90 |
|
|
|
| 7 |
B1 |
514 |
488 |
21.25 |
|
|
|
| 8 |
B2 |
1540 |
1464 |
284.32 |
|
|
|
| 9 |
B2 |
523 |
497 |
43.29 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3371.9 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3204.0 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.