Vibrational Frequencies calculated at MP2/6-31+G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
Ag |
641 |
603 |
0.00 |
2.11 |
0.03 |
0.06 |
| 2 |
Ag |
356 |
335 |
0.00 |
0.34 |
0.26 |
0.41 |
| 3 |
B1u |
642 |
604 |
303.04 |
0.00 |
0.00 |
0.00 |
| 4 |
B2u |
547 |
514 |
299.03 |
0.00 |
0.00 |
0.00 |
| 5 |
B3g |
549 |
516 |
0.00 |
0.35 |
0.75 |
0.86 |
| 6 |
B3u |
291 |
273 |
217.10 |
0.00 |
0.00 |
0.00 |
Unscaled Zero Point Vibrational Energy (zpe) 1512.5 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 1422.7 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.