Vibrational Frequencies calculated at CCSD(T)/daug-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 |
A' |
3708 |
3708 |
|
|
|
|
2 |
A' |
1614 |
1614 |
|
|
|
|
3 |
A' |
901 |
901 |
|
|
|
|
4 |
A' |
691 |
691 |
|
|
|
|
5 |
A" |
3806 |
3806 |
|
|
|
|
6 |
A" |
870 |
870 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5795.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5795.3 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.