Vibrational Frequencies calculated at MP2=FULL/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' |
1782 |
1665 |
315.56 |
80.00 |
0.21 |
0.35 |
| 2 |
A' |
935 |
873 |
11.62 |
27.51 |
0.27 |
0.43 |
| 3 |
A' |
552 |
516 |
1.87 |
132.23 |
0.48 |
0.65 |
Unscaled Zero Point Vibrational Energy (zpe) 1634.2 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 1527.0 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.