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 |
3841 |
3650 |
63.62 |
|
|
|
| 2 |
A |
1232 |
1171 |
187.55 |
|
|
|
| 3 |
A |
1142 |
1085 |
71.49 |
|
|
|
| 4 |
A |
815 |
774 |
136.33 |
|
|
|
| 5 |
A |
534 |
507 |
67.24 |
|
|
|
| 6 |
A |
436 |
415 |
27.75 |
|
|
|
| 7 |
A |
376 |
358 |
7.46 |
|
|
|
| 8 |
A |
268 |
255 |
84.98 |
|
|
|
| 9 |
B |
3836 |
3645 |
201.83 |
|
|
|
| 10 |
B |
1498 |
1423 |
282.14 |
|
|
|
| 11 |
B |
1156 |
1099 |
98.86 |
|
|
|
| 12 |
B |
869 |
826 |
352.70 |
|
|
|
| 13 |
B |
541 |
514 |
28.61 |
|
|
|
| 14 |
B |
490 |
466 |
57.04 |
|
|
|
| 15 |
B |
324 |
308 |
78.15 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8679.2 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 8247.0 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.