Vibrational Frequencies calculated at QCISD/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 |
A |
3783 |
3783 |
12.35 |
|
|
|
| 2 |
A |
1432 |
1432 |
0.26 |
|
|
|
| 3 |
A |
907 |
907 |
0.46 |
|
|
|
| 4 |
A |
414 |
414 |
154.88 |
|
|
|
| 5 |
B |
3782 |
3782 |
46.34 |
|
|
|
| 6 |
B |
1340 |
1340 |
94.90 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5828.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5828.4 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.