Vibrational Frequencies calculated at MP2/6-311G*
| 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 |
1732 |
1646 |
9.33 |
21.27 |
0.11 |
0.19 |
| 2 |
A1 |
833 |
792 |
151.48 |
36.82 |
0.34 |
0.51 |
| 3 |
B2 |
154 |
146 |
130.53 |
9.26 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1359.5 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 1292.0 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.