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 |
A1 |
1686 |
1613 |
267.33 |
|
|
|
| 2 |
A1 |
377 |
361 |
16.01 |
|
|
|
| 3 |
A1 |
171 |
164 |
0.04 |
|
|
|
| 4 |
B1 |
490 |
469 |
4.68 |
|
|
|
| 5 |
B2 |
675 |
646 |
484.27 |
|
|
|
| 6 |
B2 |
325 |
311 |
11.94 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1862.1 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 1781.6 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.