Vibrational Frequencies calculated at CCSD(T)/cc-pVTZ
| 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 |
1346 |
1312 |
|
|
|
|
| 2 |
A1 |
848 |
827 |
|
|
|
|
| 3 |
A1 |
601 |
586 |
|
|
|
|
| 4 |
B1 |
762 |
742 |
|
|
|
|
| 5 |
B2 |
1845 |
1799 |
|
|
|
|
| 6 |
B2 |
577 |
563 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2989.3 cm
-1
Scaled (by 0.9748) Zero Point Vibrational Energy (zpe) 2914.0 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.