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' |
3615 |
3463 |
|
|
|
|
| 2 |
A' |
3475 |
3329 |
|
|
|
|
| 3 |
A' |
2946 |
2822 |
|
|
|
|
| 4 |
A' |
1705 |
1633 |
|
|
|
|
| 5 |
A' |
1443 |
1382 |
|
|
|
|
| 6 |
A' |
1410 |
1351 |
|
|
|
|
| 7 |
A' |
1067 |
1022 |
|
|
|
|
| 8 |
A" |
1167 |
1118 |
|
|
|
|
| 9 |
A" |
806 |
772 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8816.6 cm
-1
Scaled (by 0.958) Zero Point Vibrational Energy (zpe) 8446.3 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.