Vibrational Frequencies calculated at CCSD=FULL/aug-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 |
A |
3754 |
3754 |
3.62 |
|
|
|
| 2 |
A |
1410 |
1410 |
34.58 |
|
|
|
| 3 |
A |
914 |
914 |
3.66 |
|
|
|
| 4 |
A |
535 |
535 |
24.50 |
|
|
|
| 5 |
A |
368 |
368 |
117.89 |
|
|
|
| 6 |
B |
3751 |
3751 |
60.83 |
|
|
|
| 7 |
B |
1419 |
1419 |
47.70 |
|
|
|
| 8 |
B |
833 |
833 |
53.43 |
|
|
|
| 9 |
B |
426 |
426 |
104.56 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6705.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6705.6 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.