Vibrational Frequencies calculated at MP2=FULL/6-31+G**
| 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 |
538 |
505 |
7.87 |
|
|
|
| 2 |
A |
470 |
442 |
35.95 |
|
|
|
| 3 |
A |
205 |
192 |
0.26 |
|
|
|
| 4 |
A |
94 |
89 |
0.27 |
|
|
|
| 5 |
B |
461 |
433 |
88.99 |
|
|
|
| 6 |
B |
242 |
227 |
7.72 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1005.2 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 944.0 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.