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 |
2292 |
2292 |
28.11 |
|
|
|
| 2 |
A1 |
1020 |
1020 |
246.14 |
|
|
|
| 3 |
A1 |
868 |
868 |
40.17 |
|
|
|
| 4 |
E |
2302 |
2302 |
138.14 |
|
|
|
| 5 |
E |
2302 |
2302 |
138.14 |
|
|
|
| 6 |
E |
966 |
966 |
106.05 |
|
|
|
| 7 |
E |
966 |
966 |
106.05 |
|
|
|
| 8 |
E |
736 |
736 |
64.50 |
|
|
|
| 9 |
E |
736 |
736 |
64.50 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6094.2 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6094.2 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.