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' |
1651 |
1569 |
386.17 |
33.52 |
0.38 |
0.55 |
| 2 |
A' |
499 |
474 |
50.81 |
6.53 |
0.26 |
0.41 |
| 3 |
A' |
285 |
271 |
38.01 |
17.27 |
0.40 |
0.57 |
Unscaled Zero Point Vibrational Energy (zpe) 1217.7 cm
-1
Scaled (by 0.9501) Zero Point Vibrational Energy (zpe) 1156.9 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.