Vibrational Frequencies calculated at MP2=FULL/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 |
397 |
377 |
0.24 |
|
|
|
| 2 |
A |
393 |
373 |
12.91 |
|
|
|
| 3 |
A |
150 |
143 |
0.12 |
|
|
|
| 4 |
A |
72 |
68 |
0.48 |
|
|
|
| 5 |
B |
395 |
375 |
25.45 |
|
|
|
| 6 |
B |
182 |
172 |
3.62 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 794.4 cm
-1
Scaled (by 0.9501) Zero Point Vibrational Energy (zpe) 754.7 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.