Vibrational Frequencies calculated at CCSD=FULL/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 |
A1 |
2893 |
2893 |
286.25 |
|
|
|
| 2 |
A1 |
1506 |
1506 |
109.91 |
|
|
|
| 3 |
A1 |
1235 |
1235 |
269.23 |
|
|
|
| 4 |
A1 |
488 |
488 |
33.77 |
|
|
|
| 5 |
E |
2913 |
2913 |
182.80 |
|
|
|
| 5 |
E |
2913 |
2913 |
182.80 |
|
|
|
| 6 |
E |
1496 |
1496 |
3.48 |
|
|
|
| 6 |
E |
1496 |
1496 |
3.48 |
|
|
|
| 7 |
E |
1198 |
1198 |
0.03 |
|
|
|
| 7 |
E |
1198 |
1198 |
0.03 |
|
|
|
| 8 |
E |
138 |
138 |
37.80 |
|
|
|
| 8 |
E |
138 |
138 |
37.81 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8806.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8806.5 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.