Vibrational Frequencies calculated at CCSD(T)/daug-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' |
3211 |
3211 |
|
|
|
|
| 2 |
A' |
3078 |
3078 |
|
|
|
|
| 3 |
A' |
2209 |
2209 |
|
|
|
|
| 4 |
A' |
1641 |
1641 |
|
|
|
|
| 5 |
A' |
1475 |
1475 |
|
|
|
|
| 6 |
A' |
1214 |
1214 |
|
|
|
|
| 7 |
A' |
912 |
912 |
|
|
|
|
| 8 |
A' |
610 |
610 |
|
|
|
|
| 9 |
A' |
243 |
243 |
|
|
|
|
| 10 |
A" |
1067 |
1067 |
|
|
|
|
| 11 |
A" |
753 |
753 |
|
|
|
|
| 12 |
A" |
345 |
345 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8378.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8378.0 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.