Vibrational Frequencies calculated at MP2/6-31+G**
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' |
1085 |
1021 |
126.90 |
|
|
|
2 |
A' |
394 |
371 |
70.34 |
|
|
|
3 |
A' |
274 |
258 |
8.64 |
|
|
|
4 |
A' |
157 |
148 |
0.60 |
|
|
|
5 |
A" |
367 |
345 |
131.60 |
|
|
|
6 |
A" |
243 |
229 |
0.07 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1260.4 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 1185.5 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.