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' |
3986 |
3788 |
0.00 |
|
|
|
| 2 |
A' |
722 |
686 |
0.00 |
|
|
|
| 3 |
A' |
645 |
613 |
0.00 |
|
|
|
| 4 |
A" |
361 |
343 |
608.71 |
|
|
|
| 5 |
A" |
294 |
279 |
0.13 |
|
|
|
| 6 |
E' |
3984 |
3786 |
109.14 |
|
|
|
| 6 |
E' |
3984 |
3786 |
109.14 |
|
|
|
| 7 |
E' |
966 |
918 |
159.70 |
|
|
|
| 7 |
E' |
966 |
918 |
159.70 |
|
|
|
| 8 |
E' |
661 |
629 |
311.51 |
|
|
|
| 8 |
E' |
661 |
629 |
311.51 |
|
|
|
| 9 |
E' |
233 |
221 |
38.00 |
|
|
|
| 9 |
E' |
233 |
221 |
38.00 |
|
|
|
| 10 |
E" |
377 |
358 |
0.00 |
|
|
|
| 10 |
E" |
377 |
358 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9225.5 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 8767.0 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.