Vibrational Frequencies calculated at MP2/6-31G(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 |
A1 |
3090 |
2918 |
0.00 |
|
|
|
| 2 |
A1 |
2133 |
2014 |
23.62 |
|
|
|
| 3 |
A1 |
1421 |
1342 |
21.18 |
|
|
|
| 4 |
B1 |
1171 |
1106 |
26.10 |
|
|
|
| 5 |
B2 |
3161 |
2986 |
5.55 |
|
|
|
| 6 |
B2 |
956 |
903 |
7.59 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5965.6 cm
-1
Scaled (by 0.9445) Zero Point Vibrational Energy (zpe) 5634.5 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.