Vibrational Frequencies calculated at MP3=FULL/6-31+G**
| 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 |
799 |
744 |
0.00 |
|
|
|
| 2 |
E |
258 |
240 |
0.00 |
|
|
|
| 2 |
E |
258 |
240 |
0.00 |
|
|
|
| 3 |
T2 |
1044 |
972 |
267.67 |
|
|
|
| 3 |
T2 |
1044 |
972 |
267.67 |
|
|
|
| 3 |
T2 |
1044 |
972 |
267.67 |
|
|
|
| 4 |
T2 |
383 |
357 |
58.11 |
|
|
|
| 4 |
T2 |
383 |
357 |
58.11 |
|
|
|
| 4 |
T2 |
383 |
357 |
58.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2797.1 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 2605.8 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.