Vibrational Frequencies calculated at MP2/6-311G**
Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
1 |
A1 |
2333 |
2217 |
70.37 |
|
|
|
2 |
A1 |
1668 |
1585 |
38.89 |
|
|
|
3 |
A1 |
995 |
945 |
93.01 |
|
|
|
4 |
A1 |
717 |
682 |
58.38 |
|
|
|
5 |
A2 |
880 |
837 |
0.00 |
|
|
|
6 |
B1 |
1688 |
1604 |
80.70 |
|
|
|
7 |
B1 |
915 |
869 |
172.37 |
|
|
|
8 |
B2 |
2335 |
2219 |
138.24 |
|
|
|
9 |
B2 |
789 |
749 |
129.98 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6160.2 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 5853.5 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.