Vibrational Frequencies calculated at ROMP2/6-311G**
| 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' |
3330 |
3330 |
|
|
|
|
| 2 |
A' |
3202 |
3202 |
|
|
|
|
| 3 |
A' |
3000 |
3000 |
|
|
|
|
| 4 |
A' |
1610 |
1610 |
|
|
|
|
| 5 |
A' |
1491 |
1491 |
|
|
|
|
| 6 |
A' |
1422 |
1422 |
|
|
|
|
| 7 |
A' |
1152 |
1152 |
|
|
|
|
| 8 |
A' |
966 |
966 |
|
|
|
|
| 9 |
A' |
503 |
503 |
|
|
|
|
| 10 |
A" |
982 |
982 |
|
|
|
|
| 11 |
A" |
733 |
733 |
|
|
|
|
| 12 |
A" |
437 |
437 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9414.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9414.7 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.