Vibrational Frequencies calculated at MP3=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 |
2775 |
2775 |
5.04 |
|
|
|
2 |
A |
921 |
921 |
1.25 |
|
|
|
3 |
A |
508 |
508 |
0.00 |
|
|
|
4 |
A |
434 |
434 |
16.85 |
|
|
|
5 |
B |
2776 |
2776 |
7.41 |
|
|
|
6 |
B |
917 |
917 |
12.27 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4165.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4165.9 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.