Vibrational Frequencies calculated at MP3=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 |
3482 |
3482 |
24.46 |
|
|
|
| 2 |
A1 |
1483 |
1483 |
2656.66 |
|
|
|
| 3 |
A1 |
1397 |
1397 |
1734.73 |
|
|
|
| 4 |
A1 |
387 |
387 |
200.21 |
|
|
|
| 5 |
E |
3618 |
3618 |
60.37 |
|
|
|
| 5 |
E |
3618 |
3618 |
60.37 |
|
|
|
| 6 |
E |
1759 |
1759 |
30.87 |
|
|
|
| 6 |
E |
1759 |
1759 |
30.87 |
|
|
|
| 7 |
E |
1605 |
1605 |
115.06 |
|
|
|
| 7 |
E |
1605 |
1605 |
115.06 |
|
|
|
| 8 |
E |
377 |
377 |
4.83 |
|
|
|
| 8 |
E |
377 |
377 |
4.83 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10733.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10733.6 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.