Vibrational Frequencies calculated at MP2=FULL/6-311G*
| 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 |
1574 |
1491 |
193.39 |
|
|
|
| 2 |
A |
588 |
557 |
7.74 |
|
|
|
| 3 |
A |
246 |
233 |
29.10 |
|
|
|
| 4 |
A |
136 |
129 |
3.49 |
|
|
|
| 5 |
B |
607 |
575 |
2.62 |
|
|
|
| 6 |
B |
430 |
407 |
15.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1790.0 cm
-1
Scaled (by 0.9471) Zero Point Vibrational Energy (zpe) 1695.3 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.