Vibrational Frequencies calculated at MP3=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' |
3253 |
3031 |
14.07 |
|
|
|
| 2 |
A' |
1526 |
1422 |
9.79 |
|
|
|
| 3 |
A' |
1195 |
1114 |
131.23 |
|
|
|
| 4 |
A' |
739 |
688 |
31.20 |
|
|
|
| 5 |
A" |
3411 |
3178 |
9.00 |
|
|
|
| 6 |
A" |
1211 |
1128 |
8.96 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5667.7 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 5280.1 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.