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' |
3244 |
3244 |
3.26 |
|
|
|
2 |
A' |
1383 |
1383 |
24.96 |
|
|
|
3 |
A' |
1160 |
1160 |
182.43 |
|
|
|
4 |
A' |
643 |
643 |
21.35 |
|
|
|
5 |
A' |
371 |
371 |
0.44 |
|
|
|
6 |
A' |
177 |
177 |
0.01 |
|
|
|
7 |
A" |
1253 |
1253 |
102.00 |
|
|
|
8 |
A" |
750 |
750 |
168.99 |
|
|
|
9 |
A" |
312 |
312 |
0.16 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4646.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4646.0 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.