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' |
3265 |
3103 |
12.32 |
|
|
|
| 2 |
A' |
1640 |
1559 |
9.89 |
|
|
|
| 3 |
A' |
1315 |
1249 |
9.36 |
|
|
|
| 4 |
A' |
981 |
932 |
108.26 |
|
|
|
| 5 |
A' |
883 |
839 |
100.54 |
|
|
|
| 6 |
A' |
650 |
617 |
10.56 |
|
|
|
| 7 |
A' |
399 |
379 |
0.15 |
|
|
|
| 8 |
A' |
290 |
275 |
0.32 |
|
|
|
| 9 |
A' |
180 |
171 |
0.76 |
|
|
|
| 10 |
A" |
783 |
745 |
36.07 |
|
|
|
| 11 |
A" |
463 |
440 |
5.20 |
|
|
|
| 12 |
A" |
207 |
196 |
0.22 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5528.1 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 5253.3 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.