Vibrational Frequencies calculated at MP3=FULL/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 |
3012 |
3012 |
39.43 |
|
|
|
| 2 |
A1 |
1883 |
1883 |
79.71 |
|
|
|
| 3 |
A1 |
1584 |
1584 |
6.02 |
|
|
|
| 4 |
B1 |
1227 |
1227 |
3.20 |
|
|
|
| 5 |
B2 |
3083 |
3083 |
100.28 |
|
|
|
| 6 |
B2 |
1312 |
1312 |
14.77 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6050.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6050.4 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.