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 |
|
A' |
3253 |
3253 |
0.79 |
|
|
|
|
A' |
627 |
627 |
6.86 |
|
|
|
|
A' |
436 |
436 |
27.41 |
|
|
|
|
A' |
189 |
189 |
0.14 |
|
|
|
|
A" |
1232 |
1232 |
67.07 |
|
|
|
|
A" |
797 |
797 |
102.17 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3267.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3267.0 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.