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 |
756 |
723 |
60.39 |
|
|
|
2 |
A1 |
358 |
342 |
87.93 |
|
|
|
3 |
E |
894 |
856 |
125.11 |
|
|
|
3 |
E |
894 |
856 |
125.11 |
|
|
|
4 |
E |
246 |
235 |
19.12 |
|
|
|
4 |
E |
246 |
235 |
19.12 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1696.9 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 1623.6 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.