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 |
3180 |
3067 |
|
|
|
|
| 2 |
A |
1360 |
1312 |
|
|
|
|
| 3 |
A |
1232 |
1188 |
|
|
|
|
| 4 |
A |
1109 |
1070 |
|
|
|
|
| 5 |
A |
789 |
762 |
|
|
|
|
| 6 |
A |
585 |
564 |
|
|
|
|
| 7 |
A |
420 |
406 |
|
|
|
|
| 8 |
A |
271 |
262 |
|
|
|
|
| 9 |
A |
196 |
189 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4570.9 cm
-1
Scaled (by 0.9647) Zero Point Vibrational Energy (zpe) 4409.6 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.