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 |
1208 |
1139 |
148.02 |
|
|
|
| 2 |
A1 |
549 |
518 |
125.62 |
|
|
|
| 3 |
A1 |
390 |
368 |
2.69 |
|
|
|
| 4 |
A1 |
206 |
194 |
0.02 |
|
|
|
| 5 |
A2 |
265 |
250 |
0.00 |
|
|
|
| 6 |
B1 |
581 |
548 |
329.16 |
|
|
|
| 7 |
B1 |
368 |
347 |
4.27 |
|
|
|
| 8 |
B2 |
1463 |
1380 |
175.09 |
|
|
|
| 9 |
B2 |
356 |
335 |
10.62 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2693.3 cm
-1
Scaled (by 0.943) Zero Point Vibrational Energy (zpe) 2539.8 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.