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' |
3814 |
3563 |
74.30 |
|
|
|
| 2 |
A' |
1661 |
1552 |
68.03 |
|
|
|
| 3 |
A' |
1304 |
1218 |
191.57 |
|
|
|
| 4 |
A' |
865 |
808 |
184.76 |
|
|
|
| 5 |
A' |
630 |
589 |
100.87 |
|
|
|
| 6 |
A" |
601 |
562 |
114.22 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4437.0 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 4145.9 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.