Vibrational Frequencies calculated at MP2/3-21G*
| 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 |
2633 |
2505 |
0.00 |
|
|
|
| 2 |
A1 |
1258 |
1197 |
0.00 |
|
|
|
| 3 |
A1 |
885 |
842 |
0.00 |
|
|
|
| 4 |
B1 |
553 |
526 |
0.00 |
|
|
|
| 5 |
B2 |
2615 |
2487 |
69.93 |
|
|
|
| 6 |
B2 |
1215 |
1156 |
10.35 |
|
|
|
| 7 |
E |
2691 |
2560 |
69.47 |
|
|
|
| 7 |
E |
2691 |
2560 |
69.47 |
|
|
|
| 8 |
E |
1032 |
982 |
31.81 |
|
|
|
| 8 |
E |
1032 |
982 |
31.81 |
|
|
|
| 9 |
E |
470 |
447 |
2.34 |
|
|
|
| 9 |
E |
470 |
447 |
2.34 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8772.4 cm
-1
Scaled (by 0.9513) Zero Point Vibrational Energy (zpe) 8345.2 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.