Vibrational Frequencies calculated at CCSD=FULL/cc-pCVDZ
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' |
1067 |
1067 |
79.90 |
|
|
|
2 |
A' |
648 |
648 |
157.76 |
|
|
|
3 |
A' |
531 |
531 |
42.70 |
|
|
|
4 |
A' |
385 |
385 |
1.65 |
|
|
|
5 |
A" |
1222 |
1222 |
201.17 |
|
|
|
6 |
A" |
335 |
335 |
11.88 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2094.2 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2094.2 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.