Vibrational Frequencies calculated at CCSD(T)/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 |
A1 |
3148 |
3068 |
|
|
|
|
| 2 |
A1 |
2281 |
2223 |
|
|
|
|
| 3 |
A1 |
1403 |
1368 |
|
|
|
|
| 4 |
A1 |
975 |
950 |
|
|
|
|
| 5 |
A1 |
927 |
904 |
|
|
|
|
| 6 |
A2 |
725 |
707 |
|
|
|
|
| 7 |
B1 |
766 |
747 |
|
|
|
|
| 8 |
B1 |
418 |
407 |
|
|
|
|
| 9 |
B2 |
3241 |
3160 |
|
|
|
|
| 10 |
B2 |
2301 |
2243 |
|
|
|
|
| 11 |
B2 |
830 |
809 |
|
|
|
|
| 12 |
B2 |
471 |
460 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8742.8 cm
-1
Scaled (by 0.9748) Zero Point Vibrational Energy (zpe) 8522.5 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.