Vibrational Frequencies calculated at CCSD(T)=FULL/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' |
1784 |
1710 |
|
|
|
|
| 2 |
A' |
1332 |
1276 |
|
|
|
|
| 3 |
A' |
825 |
791 |
|
|
|
|
| 4 |
A' |
769 |
737 |
|
|
|
|
| 5 |
A' |
597 |
572 |
|
|
|
|
| 6 |
A' |
405 |
388 |
|
|
|
|
| 7 |
A' |
223 |
213 |
|
|
|
|
| 8 |
A" |
757 |
725 |
|
|
|
|
| 9 |
A" |
109 |
104 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3400.3 cm
-1
Scaled (by 0.958) Zero Point Vibrational Energy (zpe) 3257.5 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.