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' |
1166 |
1107 |
50.66 |
28.65 |
0.56 |
0.72 |
| 2 |
A' |
682 |
647 |
23.81 |
12.63 |
0.19 |
0.32 |
| 3 |
A' |
374 |
355 |
8.18 |
8.23 |
0.57 |
0.72 |
Unscaled Zero Point Vibrational Energy (zpe) 1111.1 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 1055.0 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.