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' |
2655 |
2655 |
0.00 |
|
|
|
2 |
A' |
2382 |
2382 |
11.71 |
|
|
|
3 |
A' |
1021 |
1021 |
11.40 |
|
|
|
4 |
A' |
715 |
715 |
0.62 |
|
|
|
5 |
A' |
333 |
333 |
4.07 |
|
|
|
6 |
A" |
387 |
387 |
1.30 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3745.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3745.9 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.