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 |
A' |
1923 |
1827 |
504.13 |
9.09 |
0.60 |
0.75 |
| 2 |
A' |
572 |
544 |
84.98 |
9.39 |
0.24 |
0.39 |
| 3 |
A' |
315 |
299 |
65.63 |
25.87 |
0.36 |
0.52 |
Unscaled Zero Point Vibrational Energy (zpe) 1404.8 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 1334.8 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.