Vibrational Frequencies calculated at MP2=FULL/6-31+G**
| 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' |
1843 |
1731 |
518.45 |
4.37 |
0.31 |
0.48 |
| 2 |
A' |
582 |
546 |
91.03 |
5.71 |
0.10 |
0.18 |
| 3 |
A' |
310 |
291 |
88.15 |
23.53 |
0.29 |
0.45 |
Unscaled Zero Point Vibrational Energy (zpe) 1367.0 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 1283.9 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.