Vibrational Frequencies calculated at CID/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 |
A |
3298 |
3298 |
3.21 |
|
|
|
2 |
A |
1423 |
1423 |
22.77 |
|
|
|
3 |
A |
1295 |
1295 |
119.49 |
|
|
|
4 |
A |
1180 |
1180 |
203.07 |
|
|
|
5 |
A |
842 |
842 |
190.27 |
|
|
|
6 |
A |
626 |
626 |
38.53 |
|
|
|
7 |
A |
441 |
441 |
0.96 |
|
|
|
8 |
A |
291 |
291 |
0.27 |
|
|
|
9 |
A |
208 |
208 |
0.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4802.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4802.0 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.