Vibrational Frequencies calculated at MP3=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' |
3556 |
3556 |
3.75 |
|
|
|
| 2 |
A' |
3270 |
3270 |
36.58 |
|
|
|
| 3 |
A' |
3162 |
3162 |
33.24 |
|
|
|
| 4 |
A' |
1769 |
1769 |
16.28 |
|
|
|
| 5 |
A' |
1549 |
1549 |
3.55 |
|
|
|
| 6 |
A' |
1423 |
1423 |
38.97 |
|
|
|
| 7 |
A' |
1105 |
1105 |
37.78 |
|
|
|
| 8 |
A" |
1204 |
1204 |
50.03 |
|
|
|
| 9 |
A" |
1113 |
1113 |
11.48 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9075.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9075.6 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.