Vibrational Frequencies calculated at MP4/6-31G*
Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
1 |
A' |
3139 |
2998 |
|
|
|
|
2 |
A' |
1848 |
1764 |
|
|
|
|
3 |
A' |
1402 |
1338 |
|
|
|
|
4 |
A' |
1097 |
1047 |
|
|
|
|
5 |
A' |
649 |
620 |
|
|
|
|
6 |
A" |
1024 |
978 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4579.4 cm
-1
Scaled (by 0.9548) Zero Point Vibrational Energy (zpe) 4372.5 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.