Vibrational Frequencies calculated at MP4/6-311G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
Ag |
1769 |
1716 |
|
|
|
|
| 2 |
Ag |
1063 |
1031 |
|
|
|
|
| 3 |
Ag |
600 |
582 |
|
|
|
|
| 4 |
Ag |
423 |
410 |
|
|
|
|
| 5 |
Ag |
287 |
278 |
|
|
|
|
| 6 |
Au |
383 |
372 |
|
|
|
|
| 7 |
Au |
27 |
26 |
|
|
|
|
| 8 |
Bg |
713 |
692 |
|
|
|
|
| 9 |
Bu |
1780 |
1726 |
|
|
|
|
| 10 |
Bu |
754 |
731 |
|
|
|
|
| 11 |
Bu |
489 |
475 |
|
|
|
|
| 12 |
Bu |
206 |
200 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4247.1 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 4118.4 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.