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 |
A' |
3743 |
3743 |
41.95 |
54.56 |
0.17 |
0.29 |
| 2 |
A' |
1387 |
1387 |
65.85 |
2.53 |
0.41 |
0.58 |
| 3 |
A' |
937 |
937 |
1.39 |
7.34 |
0.16 |
0.28 |
Unscaled Zero Point Vibrational Energy (zpe) 3033.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3033.5 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.