Vibrational Frequencies calculated at QCISD/cc-pCVTZ
| 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' |
3981 |
3981 |
0.00 |
|
|
|
| 2 |
A' |
718 |
718 |
0.00 |
|
|
|
| 3 |
A' |
642 |
642 |
0.00 |
|
|
|
| 4 |
A" |
325 |
325 |
402.61 |
|
|
|
| 5 |
A" |
289 |
289 |
0.04 |
|
|
|
| 6 |
E' |
3980 |
3980 |
113.45 |
|
|
|
| 6 |
E' |
3980 |
3980 |
113.45 |
|
|
|
| 7 |
E' |
952 |
952 |
161.58 |
|
|
|
| 7 |
E' |
952 |
952 |
161.58 |
|
|
|
| 8 |
E' |
655 |
655 |
222.05 |
|
|
|
| 8 |
E' |
655 |
655 |
222.05 |
|
|
|
| 9 |
E' |
224 |
224 |
31.96 |
|
|
|
| 9 |
E' |
224 |
224 |
31.96 |
|
|
|
| 10 |
E" |
358 |
358 |
0.00 |
|
|
|
| 10 |
E" |
358 |
358 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9146.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9146.9 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.