Vibrational Frequencies calculated at MP2=FULL/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 |
A' |
823 |
781 |
108.93 |
|
|
|
| 2 |
A' |
571 |
542 |
17.11 |
|
|
|
| 3 |
A' |
350 |
332 |
20.37 |
|
|
|
| 4 |
A' |
200 |
190 |
13.58 |
|
|
|
| 5 |
A" |
712 |
675 |
502.28 |
|
|
|
| 6 |
A" |
448 |
425 |
1.71 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1552.1 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 1472.3 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.