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' |
1951 |
1854 |
175.48 |
|
|
|
| 2 |
A' |
1319 |
1253 |
257.47 |
|
|
|
| 3 |
A' |
795 |
755 |
239.22 |
|
|
|
| 4 |
A' |
739 |
702 |
1.15 |
|
|
|
| 5 |
A' |
502 |
477 |
210.27 |
|
|
|
| 6 |
A' |
384 |
365 |
36.03 |
|
|
|
| 7 |
A' |
213 |
202 |
0.70 |
|
|
|
| 8 |
A" |
723 |
687 |
9.47 |
|
|
|
| 9 |
A" |
112 |
106 |
0.89 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3368.3 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3200.6 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.