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' |
3619 |
3382 |
16.15 |
|
|
|
| 2 |
A' |
3566 |
3332 |
73.92 |
|
|
|
| 3 |
A' |
2236 |
2089 |
60.05 |
|
|
|
| 4 |
A' |
1683 |
1572 |
28.82 |
|
|
|
| 5 |
A' |
1079 |
1008 |
8.65 |
|
|
|
| 6 |
A' |
739 |
690 |
248.09 |
|
|
|
| 7 |
A' |
497 |
465 |
64.47 |
|
|
|
| 8 |
A' |
339 |
316 |
17.68 |
|
|
|
| 9 |
A" |
3726 |
3482 |
26.60 |
|
|
|
| 10 |
A" |
1232 |
1152 |
0.00 |
|
|
|
| 11 |
A" |
608 |
568 |
37.01 |
|
|
|
| 12 |
A" |
333 |
311 |
1.49 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9827.9 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 9183.2 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.