Vibrational Frequencies calculated at MP2=FULL/aug-cc-pCVTZ
| 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 |
900 |
900 |
108.85 |
|
|
|
| 2 |
A1 |
558 |
558 |
3.08 |
|
|
|
| 3 |
A1 |
530 |
530 |
20.83 |
|
|
|
| 4 |
A1 |
227 |
227 |
0.85 |
|
|
|
| 5 |
A2 |
466 |
466 |
0.00 |
|
|
|
| 6 |
B1 |
872 |
872 |
175.54 |
|
|
|
| 7 |
B1 |
352 |
352 |
9.94 |
|
|
|
| 8 |
B2 |
732 |
732 |
649.32 |
|
|
|
| 9 |
B2 |
535 |
535 |
0.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2585.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2585.9 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.