Vibrational Frequencies calculated at CCSD(T)/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' |
3244 |
3130 |
|
|
|
|
| 2 |
A' |
3179 |
3067 |
|
|
|
|
| 3 |
A' |
3073 |
2964 |
|
|
|
|
| 4 |
A' |
1625 |
1567 |
|
|
|
|
| 5 |
A' |
1397 |
1348 |
|
|
|
|
| 6 |
A' |
1071 |
1034 |
|
|
|
|
| 7 |
A' |
732 |
706 |
|
|
|
|
| 8 |
A" |
911 |
879 |
|
|
|
|
| 9 |
A" |
798 |
770 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8015.2 cm
-1
Scaled (by 0.9647) Zero Point Vibrational Energy (zpe) 7732.2 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.