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 |
2223 |
2142 |
63.43 |
|
|
|
2 |
A |
762 |
734 |
0.73 |
|
|
|
3 |
A |
316 |
305 |
10.24 |
|
|
|
4 |
A |
244 |
235 |
0.19 |
|
|
|
5 |
B |
2224 |
2143 |
71.98 |
|
|
|
6 |
B |
763 |
736 |
6.76 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3266.2 cm
-1
Scaled (by 0.9636) Zero Point Vibrational Energy (zpe) 3147.3 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.