Vibrational Frequencies calculated at CCSD(T)/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' |
3318 |
3201 |
|
|
|
|
| 2 |
A' |
3155 |
3043 |
|
|
|
|
| 3 |
A' |
1481 |
1429 |
|
|
|
|
| 4 |
A' |
1276 |
1231 |
|
|
|
|
| 5 |
A' |
1240 |
1196 |
|
|
|
|
| 6 |
A' |
987 |
952 |
|
|
|
|
| 7 |
A' |
547 |
527 |
|
|
|
|
| 8 |
A" |
769 |
742 |
|
|
|
|
| 9 |
A" |
622 |
600 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6697.1 cm
-1
Scaled (by 0.9647) Zero Point Vibrational Energy (zpe) 6460.7 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.