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' |
3181 |
3181 |
13.14 |
|
|
|
| 2 |
A' |
1520 |
1520 |
7.52 |
|
|
|
| 3 |
A' |
1222 |
1222 |
118.27 |
|
|
|
| 4 |
A' |
699 |
699 |
35.64 |
|
|
|
| 5 |
A" |
3336 |
3336 |
15.57 |
|
|
|
| 6 |
A" |
1213 |
1213 |
9.56 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5586.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5586.0 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.