Vibrational Frequencies calculated at MP3=FULL/6-311G**
| 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 |
3192 |
3192 |
9.74 |
|
|
|
| 2 |
A1 |
2859 |
2859 |
15.44 |
|
|
|
| 3 |
A1 |
1516 |
1516 |
43.34 |
|
|
|
| 4 |
A1 |
1293 |
1293 |
4.99 |
|
|
|
| 5 |
B1 |
737 |
737 |
82.24 |
|
|
|
| 6 |
B1 |
627 |
627 |
4.95 |
|
|
|
| 7 |
B2 |
3269 |
3269 |
0.55 |
|
|
|
| 8 |
B2 |
926 |
926 |
47.29 |
|
|
|
| 9 |
B2 |
407 |
407 |
1.52 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7413.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7413.0 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.