Vibrational Frequencies calculated at CCSD(T)=FULL/daug-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' |
3457 |
3457 |
|
|
|
|
| 2 |
A' |
3145 |
3145 |
|
|
|
|
| 3 |
A' |
3063 |
3063 |
|
|
|
|
| 4 |
A' |
1683 |
1683 |
|
|
|
|
| 5 |
A' |
1484 |
1484 |
|
|
|
|
| 6 |
A' |
1379 |
1379 |
|
|
|
|
| 7 |
A' |
1068 |
1068 |
|
|
|
|
| 8 |
A" |
1154 |
1154 |
|
|
|
|
| 9 |
A" |
1085 |
1085 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8759.2 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8759.2 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.