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 |
Ag |
833 |
791 |
0.00 |
|
|
|
| 2 |
Ag |
611 |
580 |
0.00 |
|
|
|
| 3 |
B1u |
741 |
704 |
4.67 |
|
|
|
| 4 |
B2u |
788 |
749 |
0.30 |
|
|
|
| 5 |
B3g |
881 |
837 |
0.00 |
|
|
|
| 6 |
B3u |
449 |
426 |
24.84 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2151.0 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 2043.9 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.