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' |
844 |
793 |
120.67 |
|
|
|
| 2 |
A' |
581 |
545 |
16.12 |
|
|
|
| 3 |
A' |
340 |
319 |
17.70 |
|
|
|
| 4 |
A' |
184 |
173 |
12.67 |
|
|
|
| 5 |
A" |
726 |
681 |
617.20 |
|
|
|
| 6 |
A" |
440 |
413 |
0.96 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1557.0 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 1462.4 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.