Vibrational Frequencies calculated at MP4/3-21G
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
782 |
759 |
|
|
|
|
| 2 |
A1 |
566 |
549 |
|
|
|
|
| 3 |
A1 |
438 |
424 |
|
|
|
|
| 4 |
A1 |
132 |
128 |
|
|
|
|
| 5 |
A2 |
387 |
376 |
|
|
|
|
| 6 |
B1 |
836 |
811 |
|
|
|
|
| 7 |
B1 |
303 |
293 |
|
|
|
|
| 8 |
B2 |
820 |
796 |
|
|
|
|
| 9 |
B2 |
435 |
421 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2349.5 cm
-1
Scaled (by 0.9698) Zero Point Vibrational Energy (zpe) 2278.6 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.