Vibrational Frequencies calculated at CCSD(T)/6-31+G**
| 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' |
3864 |
3708 |
|
|
|
|
| 2 |
A' |
3489 |
3348 |
|
|
|
|
| 3 |
A' |
1691 |
1623 |
|
|
|
|
| 4 |
A' |
1411 |
1354 |
|
|
|
|
| 5 |
A' |
1170 |
1123 |
|
|
|
|
| 6 |
A' |
915 |
878 |
|
|
|
|
| 7 |
A" |
3589 |
3444 |
|
|
|
|
| 8 |
A" |
1329 |
1275 |
|
|
|
|
| 9 |
A" |
442 |
424 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8950.1 cm
-1
Scaled (by 0.9596) Zero Point Vibrational Energy (zpe) 8588.5 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.