Vibrational Frequencies calculated at CBS-Q
| 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' |
874 |
874 |
284.00 |
|
|
|
| 2 |
A' |
734 |
734 |
142.58 |
|
|
|
| 3 |
A' |
458 |
458 |
19.04 |
|
|
|
| 4 |
A' |
370 |
370 |
20.02 |
|
|
|
| 5 |
A" |
849 |
849 |
166.24 |
|
|
|
| 6 |
A" |
297 |
297 |
1.57 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1790.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1790.9 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.