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' |
3303 |
3139 |
0.96 |
|
|
|
| 2 |
A' |
3241 |
3080 |
3.27 |
|
|
|
| 3 |
A' |
3138 |
2982 |
2.18 |
|
|
|
| 4 |
A' |
1856 |
1764 |
3.38 |
|
|
|
| 5 |
A' |
1442 |
1371 |
11.08 |
|
|
|
| 6 |
A' |
1104 |
1049 |
10.95 |
|
|
|
| 7 |
A' |
756 |
718 |
23.75 |
|
|
|
| 8 |
A" |
1047 |
995 |
103.83 |
|
|
|
| 9 |
A" |
976 |
927 |
16.16 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8431.0 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 8012.0 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.