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 |
A |
3221 |
3221 |
13.76 |
|
|
|
| 2 |
A |
1358 |
1358 |
70.24 |
|
|
|
| 3 |
A |
1209 |
1209 |
189.25 |
|
|
|
| 4 |
A |
882 |
882 |
52.68 |
|
|
|
| 5 |
A |
789 |
789 |
31.45 |
|
|
|
| 6 |
A |
417 |
417 |
1.93 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3937.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3937.6 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.