Vibrational Frequencies calculated at CCSD=FULL/6-311+G(3df,2p)
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' |
1185 |
1185 |
82.19 |
|
|
|
2 |
A' |
673 |
673 |
173.79 |
|
|
|
3 |
A' |
585 |
585 |
70.61 |
|
|
|
4 |
A' |
438 |
438 |
1.35 |
|
|
|
5 |
A" |
1345 |
1345 |
256.18 |
|
|
|
6 |
A" |
388 |
388 |
9.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2306.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2306.5 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.