Vibrational Frequencies calculated at MP3=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 |
A1 |
3682 |
3682 |
29.14 |
|
|
|
| 2 |
A1 |
2607 |
2607 |
100.66 |
|
|
|
| 3 |
A1 |
1671 |
1671 |
84.41 |
|
|
|
| 4 |
A1 |
1393 |
1393 |
61.37 |
|
|
|
| 5 |
A1 |
1180 |
1180 |
0.08 |
|
|
|
| 6 |
A2 |
883 |
883 |
0.00 |
|
|
|
| 7 |
B1 |
1033 |
1033 |
31.88 |
|
|
|
| 8 |
B1 |
572 |
572 |
214.06 |
|
|
|
| 9 |
B2 |
3779 |
3779 |
26.75 |
|
|
|
| 10 |
B2 |
2684 |
2684 |
173.12 |
|
|
|
| 11 |
B2 |
1160 |
1160 |
40.62 |
|
|
|
| 12 |
B2 |
752 |
752 |
0.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10697.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10697.6 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.