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' |
3288 |
3124 |
6.59 |
|
|
|
| 2 |
A' |
3217 |
3057 |
3.70 |
|
|
|
| 3 |
A' |
3185 |
3026 |
2.05 |
|
|
|
| 4 |
A' |
2795 |
2656 |
2.73 |
|
|
|
| 5 |
A' |
1650 |
1568 |
32.13 |
|
|
|
| 6 |
A' |
1438 |
1366 |
8.53 |
|
|
|
| 7 |
A' |
1315 |
1250 |
1.02 |
|
|
|
| 8 |
A' |
1093 |
1039 |
29.55 |
|
|
|
| 9 |
A' |
918 |
872 |
6.14 |
|
|
|
| 10 |
A' |
727 |
690 |
16.96 |
|
|
|
| 11 |
A' |
383 |
364 |
4.24 |
|
|
|
| 12 |
A" |
991 |
942 |
30.54 |
|
|
|
| 13 |
A" |
840 |
798 |
40.30 |
|
|
|
| 14 |
A" |
588 |
559 |
14.69 |
|
|
|
| 15 |
A" |
241 |
229 |
17.13 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11333.7 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 10769.3 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.