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 |
768 |
724 |
6.34 |
|
|
|
| 2 |
A |
631 |
595 |
12.80 |
|
|
|
| 3 |
A |
327 |
308 |
0.00 |
|
|
|
| 4 |
A |
119 |
112 |
0.35 |
|
|
|
| 5 |
B |
676 |
638 |
19.92 |
|
|
|
| 6 |
B |
444 |
419 |
1.32 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1482.4 cm
-1
Scaled (by 0.943) Zero Point Vibrational Energy (zpe) 1397.9 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.