Vibrational Frequencies calculated at CCSD(T)=FULL/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' |
3595 |
3463 |
|
|
|
|
| 2 |
A' |
3432 |
3306 |
|
|
|
|
| 3 |
A' |
2900 |
2793 |
|
|
|
|
| 4 |
A' |
1675 |
1613 |
|
|
|
|
| 5 |
A' |
1428 |
1375 |
|
|
|
|
| 6 |
A' |
1395 |
1344 |
|
|
|
|
| 7 |
A' |
1055 |
1016 |
|
|
|
|
| 8 |
A" |
1152 |
1110 |
|
|
|
|
| 9 |
A" |
757 |
730 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8694.9 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 8374.9 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.