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 |
Ag |
3394 |
3269 |
|
|
|
|
| 2 |
Ag |
1978 |
1906 |
|
|
|
|
| 3 |
Ag |
1179 |
1135 |
|
|
|
|
| 4 |
Ag |
899 |
866 |
|
|
|
|
| 5 |
Ag |
341 |
329 |
|
|
|
|
| 6 |
Au |
922 |
888 |
|
|
|
|
| 7 |
Au |
234 |
225 |
|
|
|
|
| 8 |
Bg |
698 |
672 |
|
|
|
|
| 9 |
Bu |
3395 |
3270 |
|
|
|
|
| 10 |
Bu |
1696 |
1633 |
|
|
|
|
| 11 |
Bu |
1132 |
1091 |
|
|
|
|
| 12 |
Bu |
281 |
270 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8074.9 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 7777.7 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.