Vibrational Frequencies calculated at MP2/daug-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 |
A1 |
1711 |
1711 |
14.65 |
32.18 |
0.05 |
0.10 |
| 2 |
A1 |
782 |
782 |
163.57 |
48.39 |
0.18 |
0.30 |
| 3 |
B2 |
169i |
169i |
141.06 |
9.85 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1162.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1162.1 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.