Vibrational Frequencies calculated at MP2/cc-pVQZ
| 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' |
2767 |
2624 |
89.95 |
245.57 |
0.44 |
0.62 |
| 2 |
A' |
1929 |
1829 |
64.80 |
82.05 |
0.67 |
0.80 |
| 3 |
A' |
1117 |
1059 |
46.01 |
4.86 |
0.26 |
0.41 |
Unscaled Zero Point Vibrational Energy (zpe) 2906.1 cm
-1
Scaled (by 0.9484) Zero Point Vibrational Energy (zpe) 2756.1 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.