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 |
A1 |
2758 |
2583 |
39.62 |
|
|
|
2 |
A1 |
2279 |
2134 |
106.14 |
|
|
|
3 |
A1 |
1471 |
1378 |
66.58 |
|
|
|
4 |
A1 |
1074 |
1006 |
0.88 |
|
|
|
5 |
A2 |
912 |
854 |
0.00 |
|
|
|
6 |
B1 |
2883 |
2700 |
82.61 |
|
|
|
7 |
B1 |
1109 |
1039 |
1.54 |
|
|
|
8 |
B2 |
2157 |
2020 |
2.42 |
|
|
|
9 |
B2 |
780 |
730 |
0.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7712.0 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 7222.3 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.