Vibrational Frequencies calculated at CCD/6-31+G**
| 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 |
3104 |
2925 |
0.00 |
|
|
|
| 2 |
E |
1596 |
1504 |
0.00 |
|
|
|
| 2 |
E |
1596 |
1504 |
0.00 |
|
|
|
| 3 |
T2 |
3236 |
3049 |
27.39 |
|
|
|
| 3 |
T2 |
3236 |
3049 |
27.39 |
|
|
|
| 3 |
T2 |
3236 |
3049 |
27.39 |
|
|
|
| 4 |
T2 |
1399 |
1318 |
12.11 |
|
|
|
| 4 |
T2 |
1399 |
1318 |
12.11 |
|
|
|
| 4 |
T2 |
1399 |
1318 |
12.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10100.0 cm
-1
Scaled (by 0.9423) Zero Point Vibrational Energy (zpe) 9517.2 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.