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 |
A1 |
1186 |
1111 |
241.68 |
|
|
|
| 2 |
A1 |
520 |
487 |
23.53 |
|
|
|
| 3 |
A1 |
311 |
291 |
0.55 |
|
|
|
| 4 |
B1 |
494 |
462 |
0.90 |
|
|
|
| 5 |
B2 |
846 |
792 |
252.09 |
|
|
|
| 6 |
B2 |
320 |
300 |
0.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1837.6 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 1720.9 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.