Vibrational Frequencies calculated at MP2/6-31G**
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' |
2822 |
2643 |
0.11 |
|
|
|
2 |
A' |
2160 |
2023 |
1.28 |
|
|
|
3 |
A' |
1017 |
952 |
14.10 |
|
|
|
4 |
A' |
709 |
664 |
0.05 |
|
|
|
5 |
A' |
309 |
290 |
5.05 |
|
|
|
6 |
A" |
346 |
324 |
1.58 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3682.1 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 3448.3 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.