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 |
3124 |
2919 |
0.04 |
|
|
|
| 2 |
A1 |
2088 |
1951 |
13.90 |
|
|
|
| 3 |
A1 |
1461 |
1365 |
15.90 |
|
|
|
| 4 |
B1 |
1175 |
1098 |
29.41 |
|
|
|
| 5 |
B2 |
3202 |
2992 |
11.23 |
|
|
|
| 6 |
B2 |
979 |
915 |
8.34 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6013.8 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 5619.3 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.