Vibrational Frequencies calculated at CCSD(T)/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 |
3184 |
3116 |
|
|
|
|
| 2 |
A1 |
1537 |
1504 |
|
|
|
|
| 3 |
A1 |
910 |
891 |
|
|
|
|
| 4 |
E |
3207 |
3139 |
|
|
|
|
| 4 |
E |
3207 |
3139 |
|
|
|
|
| 5 |
E |
1649 |
1614 |
|
|
|
|
| 5 |
E |
1648 |
1613 |
|
|
|
|
| 6 |
E |
1152 |
1128 |
|
|
|
|
| 6 |
E |
1152 |
1128 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8822.7 cm
-1
Scaled (by 0.9788) Zero Point Vibrational Energy (zpe) 8635.6 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.