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 |
A1 |
1806 |
1696 |
295.30 |
|
|
|
| 2 |
A1 |
426 |
400 |
10.22 |
|
|
|
| 3 |
A1 |
185 |
174 |
0.28 |
|
|
|
| 4 |
B1 |
539 |
507 |
1.84 |
|
|
|
| 5 |
B2 |
737 |
692 |
496.03 |
|
|
|
| 6 |
B2 |
357 |
335 |
3.58 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2025.0 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 1901.9 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.