Vibrational Frequencies calculated at MP2/6-31+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 |
A1 |
838 |
788 |
143.04 |
9.41 |
0.43 |
0.61 |
| 2 |
A1 |
341 |
321 |
10.59 |
1.04 |
0.62 |
0.76 |
| 3 |
B2 |
820 |
771 |
212.62 |
7.33 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 999.6 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 940.3 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.