Vibrational Frequencies calculated at MP2=FULL/STO-3G
| 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 |
905 |
804 |
99.87 |
|
|
|
| 2 |
A1 |
678 |
603 |
34.86 |
|
|
|
| 3 |
A1 |
301 |
267 |
16.22 |
|
|
|
| 4 |
A1 |
225 |
200 |
0.75 |
|
|
|
| 5 |
A2 |
222 |
197 |
0.00 |
|
|
|
| 6 |
B1 |
699 |
622 |
78.59 |
|
|
|
| 7 |
B1 |
265 |
236 |
15.89 |
|
|
|
| 8 |
B2 |
965 |
858 |
135.17 |
|
|
|
| 9 |
B2 |
316 |
281 |
10.77 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2288.0 cm
-1
Scaled (by 0.8889) Zero Point Vibrational Energy (zpe) 2033.8 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.