Vibrational Frequencies calculated at QCISD/6-31G**
| 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' |
791 |
745 |
319.00 |
|
|
|
| 2 |
A' |
724 |
682 |
35.13 |
|
|
|
| 3 |
A' |
403 |
379 |
9.32 |
|
|
|
| 4 |
A' |
328 |
308 |
12.16 |
|
|
|
| 5 |
A" |
754 |
710 |
133.39 |
|
|
|
| 6 |
A" |
255 |
240 |
0.61 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1627.8 cm
-1
Scaled (by 0.9414) Zero Point Vibrational Energy (zpe) 1532.4 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.