Vibrational Frequencies calculated at QCISD(T)=FULL/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' |
3416 |
3416 |
0.00 |
|
|
|
2 |
A' |
1342 |
1342 |
0.00 |
|
|
|
3 |
A' |
965 |
965 |
0.00 |
|
|
|
4 |
A' |
481 |
481 |
0.00 |
|
|
|
5 |
A" |
1453 |
1453 |
0.00 |
|
|
|
6 |
A" |
888 |
888 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4272.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4272.7 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.