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 |
1044 |
999 |
124.70 |
|
|
|
2 |
A1 |
658 |
629 |
105.11 |
|
|
|
3 |
A1 |
383 |
366 |
17.93 |
|
|
|
4 |
A1 |
234 |
223 |
0.74 |
|
|
|
5 |
A2 |
239 |
229 |
0.00 |
|
|
|
6 |
B1 |
691 |
661 |
157.84 |
|
|
|
7 |
B1 |
345 |
330 |
20.46 |
|
|
|
8 |
B2 |
1206 |
1154 |
274.09 |
|
|
|
9 |
B2 |
369 |
353 |
28.96 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2583.9 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 2472.3 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.