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' |
3352 |
3180 |
0.34 |
|
|
|
| 2 |
A' |
3236 |
3069 |
4.86 |
|
|
|
| 3 |
A' |
1718 |
1630 |
147.40 |
|
|
|
| 4 |
A' |
1424 |
1351 |
4.03 |
|
|
|
| 5 |
A' |
1226 |
1163 |
208.98 |
|
|
|
| 6 |
A' |
971 |
921 |
32.64 |
|
|
|
| 7 |
A' |
719 |
682 |
43.03 |
|
|
|
| 8 |
A' |
442 |
419 |
2.03 |
|
|
|
| 9 |
A' |
381 |
362 |
0.06 |
|
|
|
| 10 |
A" |
833 |
790 |
67.78 |
|
|
|
| 11 |
A" |
735 |
697 |
0.20 |
|
|
|
| 12 |
A" |
535 |
508 |
0.28 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7785.9 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 7385.7 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.