Vibrational Frequencies calculated at MP2/6-311G**
| 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' |
696 |
661 |
0.00 |
|
|
|
| 2 |
A1' |
630 |
598 |
0.00 |
|
|
|
| 3 |
A2" |
767 |
729 |
155.41 |
|
|
|
| 4 |
A2" |
398 |
378 |
65.63 |
|
|
|
| 5 |
E' |
783 |
744 |
115.02 |
|
|
|
| 5 |
E' |
783 |
744 |
115.02 |
|
|
|
| 6 |
E' |
357 |
340 |
55.64 |
|
|
|
| 6 |
E' |
357 |
340 |
55.64 |
|
|
|
| 7 |
E' |
121 |
115 |
1.18 |
|
|
|
| 7 |
E' |
121 |
115 |
1.18 |
|
|
|
| 8 |
E" |
377 |
358 |
0.00 |
|
|
|
| 8 |
E" |
377 |
358 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2884.1 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 2740.5 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.