Vibrational Frequencies calculated at QCISD(T)/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 |
A1 |
735 |
700 |
|
|
|
|
| 2 |
A1 |
604 |
576 |
|
|
|
|
| 3 |
A1 |
360 |
344 |
|
|
|
|
| 4 |
A1 |
170 |
162 |
|
|
|
|
| 5 |
A2 |
353 |
336 |
|
|
|
|
| 6 |
B1 |
735 |
700 |
|
|
|
|
| 7 |
B1 |
243 |
231 |
|
|
|
|
| 8 |
B2 |
688 |
656 |
|
|
|
|
| 9 |
B2 |
390 |
371 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2138.2 cm
-1
Scaled (by 0.9531) Zero Point Vibrational Energy (zpe) 2037.9 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.