Vibrational Frequencies calculated at MP2=FULL/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 |
A' |
3744 |
3744 |
42.13 |
54.44 |
0.17 |
0.29 |
| 2 |
A' |
1388 |
1388 |
65.81 |
2.52 |
0.41 |
0.58 |
| 3 |
A' |
938 |
938 |
1.40 |
7.35 |
0.16 |
0.28 |
Unscaled Zero Point Vibrational Energy (zpe) 3035.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3035.1 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.