Vibrational Frequencies calculated at MP2=FULL/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 |
A1 |
876 |
833 |
117.73 |
|
|
|
| 2 |
A1 |
593 |
564 |
3.25 |
|
|
|
| 3 |
A1 |
501 |
477 |
27.20 |
|
|
|
| 4 |
A1 |
214 |
204 |
0.65 |
|
|
|
| 5 |
A2 |
433 |
411 |
0.00 |
|
|
|
| 6 |
B1 |
863 |
820 |
169.07 |
|
|
|
| 7 |
B1 |
333 |
316 |
13.01 |
|
|
|
| 8 |
B2 |
825 |
784 |
583.97 |
|
|
|
| 9 |
B2 |
499 |
474 |
3.82 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2568.3 cm
-1
Scaled (by 0.9504) Zero Point Vibrational Energy (zpe) 2440.9 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.