Vibrational Frequencies calculated at MP3/6-311+G(3df,2p)
| 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 |
932 |
932 |
114.72 |
|
|
|
| 2 |
A1 |
590 |
590 |
4.46 |
|
|
|
| 3 |
A1 |
557 |
557 |
24.19 |
|
|
|
| 4 |
A1 |
238 |
238 |
0.70 |
|
|
|
| 5 |
A2 |
485 |
485 |
0.00 |
|
|
|
| 6 |
B1 |
910 |
910 |
174.43 |
|
|
|
| 7 |
B1 |
379 |
379 |
11.10 |
|
|
|
| 8 |
B2 |
772 |
772 |
669.13 |
|
|
|
| 9 |
B2 |
559 |
559 |
1.63 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2710.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2710.4 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.