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' |
2035 |
1912 |
0.00 |
|
|
|
| 2 |
A2" |
739 |
694 |
229.29 |
|
|
|
| 3 |
E' |
2029 |
1906 |
246.98 |
|
|
|
| 3 |
E' |
2029 |
1906 |
246.98 |
|
|
|
| 4 |
E' |
795 |
746 |
159.31 |
|
|
|
| 4 |
E' |
795 |
746 |
159.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4211.1 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 3955.0 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.