Vibrational Frequencies calculated at MP2=FULL/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 |
A' |
1969 |
1840 |
156.83 |
|
|
|
| 2 |
A' |
1324 |
1237 |
220.46 |
|
|
|
| 3 |
A' |
800 |
747 |
22.64 |
|
|
|
| 4 |
A' |
763 |
713 |
170.27 |
|
|
|
| 5 |
A' |
531 |
496 |
84.36 |
|
|
|
| 6 |
A' |
397 |
371 |
87.52 |
|
|
|
| 7 |
A' |
252 |
235 |
0.41 |
|
|
|
| 8 |
A" |
697 |
651 |
10.19 |
|
|
|
| 9 |
A" |
130 |
121 |
0.65 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3431.4 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 3206.3 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.