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 |
A1 |
1203 |
1143 |
273.81 |
|
|
|
| 2 |
A1 |
785 |
746 |
360.62 |
|
|
|
| 3 |
A1 |
742 |
705 |
18.68 |
|
|
|
| 4 |
A1 |
580 |
551 |
12.89 |
|
|
|
| 5 |
A1 |
394 |
374 |
61.12 |
|
|
|
| 6 |
A2 |
366 |
348 |
0.00 |
|
|
|
| 7 |
B1 |
1393 |
1323 |
272.24 |
|
|
|
| 8 |
B1 |
550 |
522 |
49.90 |
|
|
|
| 9 |
B1 |
114 |
109 |
44.04 |
|
|
|
| 10 |
B2 |
767 |
729 |
374.75 |
|
|
|
| 11 |
B2 |
619 |
589 |
18.81 |
|
|
|
| 12 |
B2 |
463 |
440 |
1.10 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3988.3 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3789.7 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.