Vibrational Frequencies calculated at CCSD/daug-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 |
3604 |
3604 |
24.53 |
|
|
|
| 2 |
A1 |
2572 |
2572 |
102.12 |
|
|
|
| 3 |
A1 |
1656 |
1656 |
73.57 |
|
|
|
| 4 |
A1 |
1347 |
1347 |
74.10 |
|
|
|
| 5 |
A1 |
1145 |
1145 |
0.79 |
|
|
|
| 6 |
A2 |
848 |
848 |
0.00 |
|
|
|
| 7 |
B1 |
1012 |
1012 |
23.81 |
|
|
|
| 8 |
B1 |
600 |
600 |
178.93 |
|
|
|
| 9 |
B2 |
3711 |
3711 |
25.37 |
|
|
|
| 10 |
B2 |
2647 |
2647 |
168.83 |
|
|
|
| 11 |
B2 |
1132 |
1132 |
35.82 |
|
|
|
| 12 |
B2 |
733 |
733 |
1.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10502.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10502.7 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.