Vibrational Frequencies calculated at MP3/cc-pVTZ
| 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' |
2742 |
2591 |
4.51 |
|
|
|
| 2 |
A' |
2374 |
2243 |
11.63 |
|
|
|
| 3 |
A' |
996 |
941 |
8.82 |
|
|
|
| 4 |
A' |
713 |
674 |
0.80 |
|
|
|
| 5 |
A' |
343 |
324 |
4.07 |
|
|
|
| 6 |
A" |
405 |
382 |
1.39 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3786.5 cm
-1
Scaled (by 0.9447) Zero Point Vibrational Energy (zpe) 3577.1 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.