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' |
3572 |
3337 |
15.19 |
|
|
|
| 2 |
A' |
3277 |
3062 |
9.03 |
|
|
|
| 3 |
A' |
2143 |
2002 |
241.29 |
|
|
|
| 4 |
A' |
1487 |
1389 |
2.51 |
|
|
|
| 5 |
A' |
1166 |
1090 |
17.39 |
|
|
|
| 6 |
A' |
1035 |
967 |
217.42 |
|
|
|
| 7 |
A' |
703 |
657 |
95.62 |
|
|
|
| 8 |
A' |
461 |
431 |
23.78 |
|
|
|
| 9 |
A" |
3383 |
3161 |
0.55 |
|
|
|
| 10 |
A" |
1025 |
958 |
0.12 |
|
|
|
| 11 |
A" |
931 |
870 |
57.05 |
|
|
|
| 12 |
A" |
413 |
386 |
0.13 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9798.0 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 9155.2 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.