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' |
3846 |
3654 |
141.22 |
|
|
|
| 2 |
A' |
3200 |
3041 |
8.69 |
|
|
|
| 3 |
A' |
1814 |
1724 |
332.57 |
|
|
|
| 4 |
A' |
1395 |
1326 |
4.68 |
|
|
|
| 5 |
A' |
1030 |
979 |
185.96 |
|
|
|
| 6 |
A' |
944 |
897 |
7.74 |
|
|
|
| 7 |
A' |
624 |
593 |
104.02 |
|
|
|
| 8 |
A' |
364 |
346 |
20.01 |
|
|
|
| 9 |
A" |
3289 |
3125 |
0.19 |
|
|
|
| 10 |
A" |
814 |
773 |
54.39 |
|
|
|
| 11 |
A" |
641 |
609 |
104.72 |
|
|
|
| 12 |
A" |
331 |
314 |
0.54 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9144.7 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 8690.2 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.