Vibrational Frequencies calculated at CCSD(T)/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' |
3210 |
3210 |
|
|
|
|
| 2 |
A' |
3084 |
3084 |
|
|
|
|
| 3 |
A' |
2238 |
2238 |
|
|
|
|
| 4 |
A' |
1657 |
1657 |
|
|
|
|
| 5 |
A' |
1487 |
1487 |
|
|
|
|
| 6 |
A' |
1225 |
1225 |
|
|
|
|
| 7 |
A' |
928 |
928 |
|
|
|
|
| 8 |
A' |
620 |
620 |
|
|
|
|
| 9 |
A' |
246 |
246 |
|
|
|
|
| 10 |
A" |
1079 |
1079 |
|
|
|
|
| 11 |
A" |
765 |
765 |
|
|
|
|
| 12 |
A" |
358 |
358 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8448.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8448.5 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.