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 |
A' |
1876 |
1876 |
162.85 |
|
|
|
| 2 |
A' |
1025 |
1025 |
4.73 |
|
|
|
| 3 |
A' |
853 |
853 |
50.01 |
|
|
|
| 4 |
A' |
642 |
642 |
156.74 |
|
|
|
| 5 |
A' |
346 |
346 |
1.71 |
|
|
|
| 6 |
A" |
365 |
365 |
0.40 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2553.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2553.6 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.