Vibrational Frequencies calculated at MP2/6-311G**
| 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 |
865 |
822 |
130.81 |
|
|
|
| 2 |
A1 |
546 |
519 |
2.72 |
|
|
|
| 3 |
A1 |
512 |
486 |
29.76 |
|
|
|
| 4 |
A1 |
213 |
202 |
1.17 |
|
|
|
| 5 |
A2 |
448 |
426 |
0.00 |
|
|
|
| 6 |
B1 |
839 |
798 |
182.12 |
|
|
|
| 7 |
B1 |
339 |
322 |
15.09 |
|
|
|
| 8 |
B2 |
738 |
701 |
606.11 |
|
|
|
| 9 |
B2 |
513 |
487 |
0.77 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2506.1 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 2381.3 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.