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 |
2373 |
2373 |
62.10 |
|
|
|
| 2 |
A1 |
1019 |
1019 |
180.26 |
|
|
|
| 3 |
A1 |
881 |
881 |
75.60 |
|
|
|
| 4 |
A1 |
329 |
329 |
23.30 |
|
|
|
| 5 |
A2 |
774 |
774 |
0.00 |
|
|
|
| 6 |
B1 |
2381 |
2381 |
160.59 |
|
|
|
| 7 |
B1 |
744 |
744 |
178.59 |
|
|
|
| 8 |
B2 |
1034 |
1034 |
385.82 |
|
|
|
| 9 |
B2 |
931 |
931 |
4.81 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5233.2 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5233.2 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.