Vibrational Frequencies calculated at MP2=FULL/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' |
3218 |
3053 |
3.91 |
|
|
|
| 2 |
A' |
3148 |
2986 |
16.82 |
|
|
|
| 3 |
A' |
1518 |
1440 |
0.08 |
|
|
|
| 4 |
A' |
1487 |
1411 |
3.47 |
|
|
|
| 5 |
A' |
1334 |
1265 |
24.02 |
|
|
|
| 6 |
A' |
1117 |
1060 |
7.33 |
|
|
|
| 7 |
A' |
713 |
676 |
88.04 |
|
|
|
| 8 |
A' |
620 |
588 |
11.27 |
|
|
|
| 9 |
A' |
311 |
295 |
10.83 |
|
|
|
| 10 |
A" |
3337 |
3166 |
4.05 |
|
|
|
| 11 |
A" |
3217 |
3052 |
4.55 |
|
|
|
| 12 |
A" |
1298 |
1231 |
0.06 |
|
|
|
| 13 |
A" |
1109 |
1052 |
2.45 |
|
|
|
| 14 |
A" |
796 |
755 |
1.56 |
|
|
|
| 15 |
A" |
214 |
203 |
1.83 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11718.6 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 11116.2 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.