Vibrational Frequencies calculated at MP2=FULL/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' |
3988 |
3777 |
0.00 |
|
|
|
| 2 |
A' |
723 |
685 |
0.00 |
|
|
|
| 3 |
A' |
643 |
609 |
0.00 |
|
|
|
| 4 |
A" |
362 |
343 |
609.77 |
|
|
|
| 5 |
A" |
294 |
279 |
0.19 |
|
|
|
| 6 |
E' |
3987 |
3776 |
110.23 |
|
|
|
| 6 |
E' |
3987 |
3776 |
110.23 |
|
|
|
| 7 |
E' |
969 |
918 |
159.93 |
|
|
|
| 7 |
E' |
969 |
918 |
159.93 |
|
|
|
| 8 |
E' |
659 |
624 |
311.37 |
|
|
|
| 8 |
E' |
659 |
624 |
311.37 |
|
|
|
| 9 |
E' |
233 |
221 |
38.13 |
|
|
|
| 9 |
E' |
233 |
221 |
38.13 |
|
|
|
| 10 |
E" |
378 |
358 |
0.00 |
|
|
|
| 10 |
E" |
378 |
358 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9230.9 cm
-1
Scaled (by 0.9471) Zero Point Vibrational Energy (zpe) 8742.5 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.