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 |
3837 |
3646 |
7.59 |
|
|
|
| 2 |
A1 |
1886 |
1792 |
490.51 |
|
|
|
| 3 |
A1 |
1334 |
1268 |
31.06 |
|
|
|
| 4 |
A1 |
996 |
946 |
18.02 |
|
|
|
| 5 |
A1 |
559 |
531 |
5.32 |
|
|
|
| 6 |
A2 |
552 |
524 |
0.00 |
|
|
|
| 7 |
B1 |
813 |
772 |
72.75 |
|
|
|
| 8 |
B1 |
638 |
607 |
258.08 |
|
|
|
| 9 |
B2 |
3835 |
3645 |
155.94 |
|
|
|
| 10 |
B2 |
1500 |
1425 |
128.37 |
|
|
|
| 11 |
B2 |
1205 |
1145 |
499.19 |
|
|
|
| 12 |
B2 |
612 |
582 |
55.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8882.8 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 8441.3 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.