Vibrational Frequencies calculated at MP2/6-31G*
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 |
542 |
511 |
7.09 |
|
|
|
2 |
A |
478 |
451 |
33.95 |
|
|
|
3 |
A |
207 |
195 |
0.18 |
|
|
|
4 |
A |
97 |
92 |
0.31 |
|
|
|
5 |
B |
468 |
442 |
85.85 |
|
|
|
6 |
B |
246 |
232 |
7.63 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1018.8 cm
-1
Scaled (by 0.943) Zero Point Vibrational Energy (zpe) 960.7 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.