Vibrational Frequencies calculated at CCSD(T)/6-31G**
| 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 |
895 |
849 |
|
|
|
|
| 2 |
A1 |
610 |
578 |
|
|
|
|
| 3 |
A1 |
510 |
484 |
|
|
|
|
| 4 |
A1 |
200 |
189 |
|
|
|
|
| 5 |
A2 |
455 |
431 |
|
|
|
|
| 6 |
B1 |
889 |
843 |
|
|
|
|
| 7 |
B1 |
349 |
331 |
|
|
|
|
| 8 |
B2 |
839 |
796 |
|
|
|
|
| 9 |
B2 |
517 |
490 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2631.9 cm
-1
Scaled (by 0.9485) Zero Point Vibrational Energy (zpe) 2496.4 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.