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' |
3250 |
3053 |
2.72 |
|
|
|
| 2 |
A' |
1360 |
1277 |
17.75 |
|
|
|
| 3 |
A' |
1075 |
1009 |
200.63 |
|
|
|
| 4 |
A' |
774 |
727 |
39.37 |
|
|
|
| 5 |
A' |
468 |
440 |
1.49 |
|
|
|
| 6 |
A' |
292 |
274 |
0.04 |
|
|
|
| 7 |
A" |
1335 |
1254 |
69.97 |
|
|
|
| 8 |
A" |
864 |
812 |
234.88 |
|
|
|
| 9 |
A" |
375 |
352 |
1.21 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4896.3 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 4598.6 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.