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' |
3792 |
3600 |
117.69 |
71.33 |
0.24 |
0.38 |
| 2 |
A' |
1195 |
1135 |
42.60 |
4.88 |
0.53 |
0.69 |
| 3 |
A' |
875 |
831 |
76.77 |
10.61 |
0.24 |
0.39 |
Unscaled Zero Point Vibrational Energy (zpe) 2930.8 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 2782.8 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.