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 |
3106 |
3106 |
47.49 |
|
|
|
| 2 |
A1 |
1569 |
1569 |
3.77 |
|
|
|
| 3 |
A1 |
1155 |
1155 |
110.16 |
|
|
|
| 4 |
A1 |
542 |
542 |
6.10 |
|
|
|
| 5 |
A2 |
1316 |
1316 |
0.00 |
|
|
|
| 6 |
B1 |
3177 |
3177 |
53.25 |
|
|
|
| 7 |
B1 |
1214 |
1214 |
27.65 |
|
|
|
| 8 |
B2 |
1522 |
1522 |
43.93 |
|
|
|
| 9 |
B2 |
1166 |
1166 |
222.62 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7383.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7383.3 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.