Vibrational Frequencies calculated at MP2=FULL/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 |
A' |
1762 |
1655 |
220.91 |
|
|
|
| 2 |
A' |
952 |
895 |
2.50 |
|
|
|
| 3 |
A' |
765 |
718 |
39.75 |
|
|
|
| 4 |
A' |
310 |
291 |
149.56 |
|
|
|
| 5 |
A' |
244 |
230 |
58.20 |
|
|
|
| 6 |
A" |
335 |
314 |
0.52 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2184.2 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 2051.4 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.