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 |
A |
765 |
717 |
6.05 |
|
|
|
2 |
A |
630 |
590 |
12.82 |
|
|
|
3 |
A |
327 |
306 |
0.00 |
|
|
|
4 |
A |
119 |
112 |
0.35 |
|
|
|
5 |
B |
677 |
634 |
19.76 |
|
|
|
6 |
B |
444 |
416 |
1.27 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1480.7 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 1386.7 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.