Vibrational Frequencies calculated at MP2/cc-pVTZ
| 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' |
685 |
650 |
0.00 |
9.02 |
0.05 |
0.09 |
| 2 |
A2" |
209 |
198 |
68.35 |
0.00 |
0.00 |
0.00 |
| 3 |
E' |
776 |
737 |
100.93 |
1.24 |
0.75 |
0.86 |
| 3 |
E' |
776 |
737 |
100.93 |
1.24 |
0.75 |
0.86 |
| 4 |
E' |
192 |
183 |
32.19 |
0.77 |
0.75 |
0.86 |
| 4 |
E' |
192 |
183 |
32.19 |
0.77 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1415.4 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 1343.9 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.