Vibrational Frequencies calculated at MP2/3-21G*
| 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 |
3010 |
2863 |
65.76 |
|
|
|
| 2 |
A1 |
1201 |
1143 |
37.24 |
|
|
|
| 3 |
A1 |
635 |
604 |
8.27 |
|
|
|
| 4 |
E |
3083 |
2933 |
43.58 |
|
|
|
| 4 |
E |
3083 |
2933 |
43.58 |
|
|
|
| 5 |
E |
1569 |
1493 |
8.06 |
|
|
|
| 5 |
E |
1569 |
1493 |
8.06 |
|
|
|
| 6 |
E |
522 |
497 |
283.25 |
|
|
|
| 6 |
E |
522 |
497 |
283.25 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7597.2 cm
-1
Scaled (by 0.9513) Zero Point Vibrational Energy (zpe) 7227.2 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.