Vibrational Frequencies calculated at MP2/daug-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' |
3764 |
3764 |
44.92 |
54.01 |
0.16 |
0.28 |
| 2 |
A' |
1403 |
1403 |
65.78 |
2.60 |
0.38 |
0.55 |
| 3 |
A' |
983 |
983 |
1.59 |
7.19 |
0.16 |
0.28 |
Unscaled Zero Point Vibrational Energy (zpe) 3074.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3074.8 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.