Vibrational Frequencies calculated at MP3=FULL/6-31G(2df,p)
| 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 |
2360 |
2360 |
54.56 |
|
|
|
| 2 |
A1 |
1024 |
1024 |
149.26 |
|
|
|
| 3 |
A1 |
908 |
908 |
50.12 |
|
|
|
| 4 |
A1 |
335 |
335 |
17.85 |
|
|
|
| 5 |
A2 |
757 |
757 |
0.00 |
|
|
|
| 6 |
B1 |
2367 |
2367 |
137.30 |
|
|
|
| 7 |
B1 |
737 |
737 |
142.80 |
|
|
|
| 8 |
B2 |
1038 |
1038 |
295.36 |
|
|
|
| 9 |
B2 |
937 |
937 |
8.02 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5230.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5230.3 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.