Vibrational Frequencies calculated at MP2/6-31G
| 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 |
560 |
536 |
8.57 |
|
|
|
| 2 |
A1 |
457 |
437 |
0.38 |
|
|
|
| 3 |
A1 |
207 |
198 |
21.76 |
|
|
|
| 4 |
B1 |
198 |
190 |
22.20 |
|
|
|
| 5 |
B2 |
577 |
552 |
104.87 |
|
|
|
| 6 |
B2 |
301 |
288 |
4.87 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1150.1 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 1100.4 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.