Vibrational Frequencies calculated at MP2=FULL/6-31G**
| 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' |
1867 |
1745 |
170.95 |
|
|
|
| 2 |
A' |
1795 |
1678 |
234.67 |
|
|
|
| 3 |
A' |
1324 |
1237 |
290.24 |
|
|
|
| 4 |
A' |
770 |
719 |
118.87 |
|
|
|
| 5 |
A' |
617 |
577 |
2.98 |
|
|
|
| 6 |
A' |
312 |
291 |
2.15 |
|
|
|
| 7 |
A' |
180 |
168 |
0.57 |
|
|
|
| 8 |
A" |
432 |
404 |
4.04 |
|
|
|
| 9 |
A" |
176 |
164 |
0.14 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3736.1 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 3491.0 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.