Vibrational Frequencies calculated at MP2/6-311+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 |
A' |
2745 |
2590 |
9.70 |
|
|
|
2 |
A' |
2139 |
2018 |
3.19 |
|
|
|
3 |
A' |
986 |
930 |
8.59 |
|
|
|
4 |
A' |
714 |
674 |
0.12 |
|
|
|
5 |
A' |
335 |
316 |
4.12 |
|
|
|
6 |
A" |
385 |
363 |
0.60 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3652.2 cm
-1
Scaled (by 0.9434) Zero Point Vibrational Energy (zpe) 3445.4 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.