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 |
A' |
3061 |
2866 |
39.56 |
|
|
|
| 2 |
A' |
1795 |
1681 |
200.83 |
|
|
|
| 3 |
A' |
1394 |
1305 |
8.19 |
|
|
|
| 4 |
A' |
1072 |
1004 |
80.78 |
|
|
|
| 5 |
A' |
503 |
471 |
38.08 |
|
|
|
| 6 |
A" |
1023 |
958 |
0.23 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4423.4 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 4142.5 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.