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 |
A' |
3949 |
3949 |
43.44 |
|
|
|
2 |
A' |
3547 |
3547 |
0.61 |
|
|
|
3 |
A' |
1724 |
1724 |
17.11 |
|
|
|
4 |
A' |
1466 |
1466 |
28.44 |
|
|
|
5 |
A' |
1205 |
1205 |
144.23 |
|
|
|
6 |
A' |
1017 |
1017 |
10.47 |
|
|
|
7 |
A" |
3633 |
3633 |
0.59 |
|
|
|
8 |
A" |
1383 |
1383 |
0.05 |
|
|
|
9 |
A" |
409 |
409 |
172.25 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9165.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9165.9 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.