Vibrational Frequencies calculated at CCSD(T)/6-311G**
| 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 |
3044 |
2937 |
|
|
|
|
| 2 |
A1 |
1523 |
1469 |
|
|
|
|
| 3 |
A1 |
1093 |
1054 |
|
|
|
|
| 4 |
E |
3131 |
3020 |
|
|
|
|
| 4 |
E |
3131 |
3020 |
|
|
|
|
| 5 |
E |
1505 |
1452 |
|
|
|
|
| 5 |
E |
1505 |
1452 |
|
|
|
|
| 6 |
E |
1213 |
1170 |
|
|
|
|
| 6 |
E |
1213 |
1170 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8678.4 cm
-1
Scaled (by 0.9647) Zero Point Vibrational Energy (zpe) 8372.0 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.