Vibrational Frequencies calculated at CID/cc-pVDZ
| 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' |
3785 |
3497 |
280.20 |
|
|
|
| 2 |
A' |
2110 |
1949 |
850.17 |
|
|
|
| 3 |
A' |
906 |
838 |
4.47 |
|
|
|
| 4 |
A' |
634 |
586 |
363.73 |
|
|
|
| 5 |
A' |
445 |
411 |
170.75 |
|
|
|
| 6 |
A" |
499 |
461 |
0.22 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4189.2 cm
-1
Scaled (by 0.924) Zero Point Vibrational Energy (zpe) 3870.8 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.