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' |
3272 |
3109 |
12.36 |
|
|
|
| 2 |
A' |
1638 |
1556 |
10.79 |
|
|
|
| 3 |
A' |
1303 |
1238 |
9.52 |
|
|
|
| 4 |
A' |
982 |
933 |
109.14 |
|
|
|
| 5 |
A' |
884 |
840 |
100.21 |
|
|
|
| 6 |
A' |
649 |
617 |
10.29 |
|
|
|
| 7 |
A' |
399 |
379 |
0.15 |
|
|
|
| 8 |
A' |
290 |
275 |
0.32 |
|
|
|
| 9 |
A' |
179 |
170 |
0.76 |
|
|
|
| 10 |
A" |
787 |
748 |
32.56 |
|
|
|
| 11 |
A" |
464 |
441 |
4.90 |
|
|
|
| 12 |
A" |
207 |
196 |
0.19 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5526.3 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 5251.1 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.