Vibrational Frequencies calculated at QCISD(T)=FULL/cc-pVQZ
| 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 |
3140 |
3140 |
|
|
|
|
| 2 |
A1 |
1480 |
1480 |
|
|
|
|
| 3 |
A1 |
730 |
730 |
|
|
|
|
| 4 |
A1 |
285 |
285 |
|
|
|
|
| 5 |
A2 |
1186 |
1186 |
|
|
|
|
| 6 |
B1 |
3217 |
3217 |
|
|
|
|
| 7 |
B1 |
909 |
909 |
|
|
|
|
| 8 |
B2 |
1293 |
1293 |
|
|
|
|
| 9 |
B2 |
786 |
786 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6512.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6512.6 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.