Vibrational Frequencies calculated at MP2/CEP-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' |
3187 |
3080 |
25.39 |
|
|
|
| 2 |
A' |
3061 |
2958 |
48.55 |
|
|
|
| 3 |
A' |
2291 |
2214 |
147.34 |
|
|
|
| 4 |
A' |
1483 |
1433 |
7.27 |
|
|
|
| 5 |
A' |
1386 |
1340 |
10.61 |
|
|
|
| 6 |
A' |
1024 |
990 |
37.11 |
|
|
|
| 7 |
A' |
712 |
688 |
3.39 |
|
|
|
| 8 |
A' |
564 |
545 |
0.10 |
|
|
|
| 9 |
A" |
3188 |
3080 |
30.81 |
|
|
|
| 10 |
A" |
1475 |
1425 |
9.17 |
|
|
|
| 11 |
A" |
944 |
912 |
14.07 |
|
|
|
| 12 |
A" |
216 |
209 |
11.14 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9765.2 cm
-1
Scaled (by 0.9663) Zero Point Vibrational Energy (zpe) 9436.2 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.