Vibrational Frequencies calculated at CCSD=FULL/6-31G**
| 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 |
3019 |
3019 |
47.70 |
|
|
|
| 2 |
A1 |
1842 |
1842 |
72.04 |
|
|
|
| 3 |
A1 |
1595 |
1595 |
5.49 |
|
|
|
| 4 |
B1 |
1217 |
1217 |
1.73 |
|
|
|
| 5 |
B2 |
3092 |
3092 |
134.34 |
|
|
|
| 6 |
B2 |
1305 |
1305 |
14.18 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6034.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6034.5 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.