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 |
1856 |
1734 |
253.87 |
|
|
|
| 2 |
A1 |
428 |
400 |
9.79 |
|
|
|
| 3 |
A1 |
191 |
179 |
0.19 |
|
|
|
| 4 |
B1 |
526 |
491 |
3.34 |
|
|
|
| 5 |
B2 |
746 |
697 |
487.30 |
|
|
|
| 6 |
B2 |
346 |
323 |
4.74 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2046.2 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 1912.0 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.