Vibrational Frequencies calculated at MP2=FULL/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 |
835 |
792 |
0.00 |
|
|
|
| 2 |
Ag |
612 |
581 |
0.00 |
|
|
|
| 3 |
B1u |
743 |
705 |
4.79 |
|
|
|
| 4 |
B2u |
788 |
748 |
0.17 |
|
|
|
| 5 |
B3g |
883 |
838 |
0.00 |
|
|
|
| 6 |
B3u |
450 |
427 |
25.15 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2155.5 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 2044.8 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.