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 |
A' |
1870 |
1775 |
225.96 |
2.41 |
0.38 |
0.55 |
| 2 |
A' |
770 |
731 |
166.19 |
3.81 |
0.35 |
0.52 |
| 3 |
A' |
505 |
480 |
139.03 |
12.17 |
0.38 |
0.56 |
Unscaled Zero Point Vibrational Energy (zpe) 1572.5 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 1493.1 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.