Vibrational Frequencies calculated at MP2/6-31G**
| 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 |
3175 |
2973 |
24.31 |
|
|
|
| 2 |
A1 |
1568 |
1469 |
6.84 |
|
|
|
| 3 |
A1 |
1114 |
1043 |
1.73 |
|
|
|
| 4 |
B1 |
1048 |
982 |
49.68 |
|
|
|
| 5 |
B2 |
3274 |
3066 |
9.57 |
|
|
|
| 6 |
B2 |
1057 |
990 |
5.29 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5617.9 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 5261.2 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.