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' |
3264 |
3264 |
0.77 |
|
|
|
| 2 |
A' |
3201 |
3201 |
6.02 |
|
|
|
| 3 |
A' |
3099 |
3099 |
4.78 |
|
|
|
| 4 |
A' |
1641 |
1641 |
1.40 |
|
|
|
| 5 |
A' |
1410 |
1410 |
5.85 |
|
|
|
| 6 |
A' |
1082 |
1082 |
8.61 |
|
|
|
| 7 |
A' |
741 |
741 |
17.35 |
|
|
|
| 8 |
A" |
926 |
926 |
77.18 |
|
|
|
| 9 |
A" |
827 |
827 |
5.41 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8094.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8094.8 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.