Vibrational Frequencies calculated at MP2/cc-pVDZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A' |
1876 |
1787 |
207.28 |
1.70 |
0.54 |
0.71 |
| 2 |
A' |
767 |
730 |
148.29 |
4.06 |
0.30 |
0.47 |
| 3 |
A' |
490 |
466 |
109.13 |
10.81 |
0.39 |
0.57 |
Unscaled Zero Point Vibrational Energy (zpe) 1566.4 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 1492.0 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.