Vibrational Frequencies calculated at MP2/6-311G**
| 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' |
3487 |
3314 |
0.83 |
|
|
|
| 2 |
A' |
3193 |
3034 |
33.78 |
|
|
|
| 3 |
A' |
3085 |
2932 |
39.19 |
|
|
|
| 4 |
A' |
1682 |
1599 |
10.23 |
|
|
|
| 5 |
A' |
1506 |
1431 |
2.88 |
|
|
|
| 6 |
A' |
1393 |
1324 |
36.43 |
|
|
|
| 7 |
A' |
1084 |
1030 |
35.17 |
|
|
|
| 8 |
A" |
1185 |
1126 |
48.66 |
|
|
|
| 9 |
A" |
1097 |
1042 |
10.98 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8856.6 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 8415.6 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.