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 |
655 |
616 |
0.00 |
3.78 |
0.63 |
0.77 |
| 2 |
Ag |
333 |
313 |
0.00 |
12.75 |
0.11 |
0.19 |
| 3 |
B1u |
524 |
493 |
156.80 |
0.00 |
0.20 |
0.33 |
| 4 |
B2u |
236 |
222 |
131.78 |
0.00 |
0.00 |
0.00 |
| 5 |
B3g |
463 |
436 |
0.00 |
2.80 |
0.75 |
0.86 |
| 6 |
B3u |
66 |
62 |
128.19 |
0.00 |
0.00 |
0.00 |
Unscaled Zero Point Vibrational Energy (zpe) 1138.7 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 1071.1 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.