Vibrational Frequencies calculated at CCSD/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 |
3162 |
3162 |
5.46 |
|
|
|
| 2 |
A1 |
1466 |
1466 |
0.48 |
|
|
|
| 3 |
A1 |
596 |
596 |
3.52 |
|
|
|
| 4 |
A1 |
177 |
177 |
0.07 |
|
|
|
| 5 |
A2 |
1151 |
1151 |
0.00 |
|
|
|
| 6 |
B1 |
3241 |
3241 |
0.00 |
|
|
|
| 7 |
B1 |
834 |
834 |
5.43 |
|
|
|
| 8 |
B2 |
1269 |
1269 |
81.40 |
|
|
|
| 9 |
B2 |
683 |
683 |
71.36 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6289.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6289.8 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.