Vibrational Frequencies calculated at CCSD=FULL/cc-pVQZ
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' |
1230 |
1230 |
222.40 |
|
|
|
2 |
A' |
634 |
634 |
7.24 |
|
|
|
3 |
A' |
471 |
471 |
0.94 |
|
|
|
4 |
A' |
290 |
290 |
0.01 |
|
|
|
5 |
A" |
975 |
975 |
258.16 |
|
|
|
6 |
A" |
394 |
394 |
1.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1997.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1997.0 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.