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 |
A1 |
3136 |
3025 |
|
|
|
|
| 2 |
A1 |
1469 |
1417 |
|
|
|
|
| 3 |
A1 |
729 |
703 |
|
|
|
|
| 4 |
A1 |
295 |
285 |
|
|
|
|
| 5 |
A2 |
1214 |
1171 |
|
|
|
|
| 6 |
B1 |
3207 |
3094 |
|
|
|
|
| 7 |
B1 |
915 |
883 |
|
|
|
|
| 8 |
B2 |
1345 |
1297 |
|
|
|
|
| 9 |
B2 |
787 |
759 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6548.1 cm
-1
Scaled (by 0.9647) Zero Point Vibrational Energy (zpe) 6316.9 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.