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' |
1735 |
1735 |
199.23 |
|
|
|
2 |
A' |
934 |
934 |
4.04 |
|
|
|
3 |
A' |
742 |
742 |
33.16 |
|
|
|
4 |
A' |
433 |
433 |
94.35 |
|
|
|
5 |
A' |
277 |
277 |
0.24 |
|
|
|
6 |
A" |
258 |
258 |
0.82 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2189.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2189.1 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.