Vibrational Frequencies calculated at CCSD/CEP-121G
| 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 |
2899 |
2734 |
0.00 |
|
|
|
| 2 |
E |
1532 |
1445 |
0.00 |
|
|
|
| 2 |
E |
1532 |
1445 |
0.00 |
|
|
|
| 3 |
T2 |
3041 |
2868 |
47.67 |
|
|
|
| 3 |
T2 |
3041 |
2868 |
47.67 |
|
|
|
| 3 |
T2 |
3041 |
2868 |
47.67 |
|
|
|
| 4 |
T2 |
1383 |
1304 |
17.57 |
|
|
|
| 4 |
T2 |
1383 |
1304 |
17.57 |
|
|
|
| 4 |
T2 |
1383 |
1304 |
17.57 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9616.0 cm
-1
Scaled (by 0.9431) Zero Point Vibrational Energy (zpe) 9068.8 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.