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 |
A' |
3341 |
3174 |
2.08 |
|
|
|
| 2 |
A' |
3206 |
3046 |
1.62 |
|
|
|
| 3 |
A' |
2941 |
2794 |
138.85 |
|
|
|
| 4 |
A' |
1982 |
1883 |
468.85 |
|
|
|
| 5 |
A' |
1486 |
1412 |
16.56 |
|
|
|
| 6 |
A' |
1445 |
1373 |
7.52 |
|
|
|
| 7 |
A' |
1136 |
1080 |
61.64 |
|
|
|
| 8 |
A' |
941 |
894 |
11.62 |
|
|
|
| 9 |
A' |
506 |
481 |
14.87 |
|
|
|
| 10 |
A" |
1073 |
1019 |
4.86 |
|
|
|
| 11 |
A" |
658 |
625 |
40.05 |
|
|
|
| 12 |
A" |
357 |
339 |
0.66 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9535.2 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 9060.3 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.