Vibrational Frequencies calculated at MP2=FULL/6-31G**
| 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 |
1716 |
1603 |
0.08 |
|
|
|
| 2 |
A1 |
982 |
917 |
51.22 |
|
|
|
| 3 |
A1 |
400 |
374 |
3.79 |
|
|
|
| 4 |
A1 |
233 |
218 |
0.02 |
|
|
|
| 5 |
A2 |
242 |
227 |
0.00 |
|
|
|
| 6 |
B1 |
137 |
128 |
0.02 |
|
|
|
| 7 |
B2 |
1667 |
1557 |
353.09 |
|
|
|
| 8 |
B2 |
705 |
659 |
1.90 |
|
|
|
| 9 |
B2 |
275 |
257 |
1085.14 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3178.1 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 2969.6 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.