Vibrational Frequencies calculated at CCSD=FULL/aug-cc-pVDZ
| 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' |
1773 |
1773 |
224.51 |
|
|
|
| 2 |
A' |
883 |
883 |
14.66 |
|
|
|
| 3 |
A' |
664 |
664 |
40.66 |
|
|
|
| 4 |
A' |
532 |
532 |
144.53 |
|
|
|
| 5 |
A' |
268 |
268 |
0.04 |
|
|
|
| 6 |
A" |
355 |
355 |
1.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2237.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2237.1 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.