Vibrational Frequencies calculated at MP2=FULL/6-31+G**
| 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 |
461 |
433 |
0.46 |
|
|
|
| 2 |
A1 |
225 |
211 |
0.43 |
|
|
|
| 3 |
E |
571 |
537 |
21.53 |
|
|
|
| 3 |
E |
571 |
537 |
21.53 |
|
|
|
| 4 |
E |
160 |
151 |
0.35 |
|
|
|
| 4 |
E |
160 |
151 |
0.35 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1074.5 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 1009.2 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.