Vibrational Frequencies calculated at MP2/cc-pVDZ
| 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 |
529 |
504 |
4.31 |
|
|
|
| 2 |
A |
474 |
451 |
33.96 |
|
|
|
| 3 |
A |
201 |
192 |
0.32 |
|
|
|
| 4 |
A |
93 |
89 |
0.21 |
|
|
|
| 5 |
B |
466 |
444 |
86.83 |
|
|
|
| 6 |
B |
240 |
228 |
5.89 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1001.1 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 953.6 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.