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 |
922 |
922 |
14.73 |
|
|
|
| 2 |
A |
648 |
648 |
10.02 |
|
|
|
| 3 |
A |
349 |
349 |
0.00 |
|
|
|
| 4 |
A |
127 |
127 |
0.38 |
|
|
|
| 5 |
B |
666 |
666 |
21.67 |
|
|
|
| 6 |
B |
461 |
461 |
2.62 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1586.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1586.3 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.