Vibrational Frequencies calculated at CCSD/6-311G**
| 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' |
4022 |
4022 |
0.00 |
|
|
|
| 2 |
A' |
712 |
712 |
0.00 |
|
|
|
| 3 |
A' |
636 |
636 |
0.00 |
|
|
|
| 4 |
A" |
340 |
340 |
505.79 |
|
|
|
| 5 |
A" |
287 |
287 |
8.71 |
|
|
|
| 6 |
E' |
4021 |
4021 |
100.08 |
|
|
|
| 6 |
E' |
4021 |
4021 |
100.08 |
|
|
|
| 7 |
E' |
960 |
960 |
172.35 |
|
|
|
| 7 |
E' |
960 |
960 |
172.35 |
|
|
|
| 8 |
E' |
650 |
650 |
242.90 |
|
|
|
| 8 |
E' |
650 |
650 |
242.90 |
|
|
|
| 9 |
E' |
230 |
230 |
38.57 |
|
|
|
| 9 |
E' |
230 |
230 |
38.57 |
|
|
|
| 10 |
E" |
357 |
357 |
0.00 |
|
|
|
| 10 |
E" |
357 |
357 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9216.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9216.6 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.