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' |
3174 |
3174 |
1.60 |
|
|
|
| 2 |
A' |
3091 |
3091 |
20.20 |
|
|
|
| 3 |
A' |
1974 |
1974 |
219.56 |
|
|
|
| 4 |
A' |
1524 |
1524 |
0.86 |
|
|
|
| 5 |
A' |
1222 |
1222 |
14.80 |
|
|
|
| 6 |
A' |
922 |
922 |
404.97 |
|
|
|
| 7 |
A' |
742 |
742 |
74.98 |
|
|
|
| 8 |
A' |
472 |
472 |
29.09 |
|
|
|
| 9 |
A" |
3287 |
3287 |
3.11 |
|
|
|
| 10 |
A" |
1160 |
1160 |
8.76 |
|
|
|
| 11 |
A" |
972 |
972 |
9.22 |
|
|
|
| 12 |
A" |
331 |
331 |
3.84 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9434.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9434.5 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.