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 |
A1 |
2907 |
2762 |
322.18 |
|
|
|
| 2 |
A1 |
1538 |
1462 |
112.20 |
|
|
|
| 3 |
A1 |
1215 |
1155 |
308.87 |
|
|
|
| 4 |
A1 |
483 |
459 |
35.65 |
|
|
|
| 5 |
E |
2937 |
2791 |
187.94 |
|
|
|
| 5 |
E |
2937 |
2791 |
187.94 |
|
|
|
| 6 |
E |
1537 |
1461 |
1.65 |
|
|
|
| 6 |
E |
1537 |
1461 |
1.65 |
|
|
|
| 7 |
E |
1209 |
1149 |
0.94 |
|
|
|
| 7 |
E |
1209 |
1149 |
0.94 |
|
|
|
| 8 |
E |
114 |
108 |
37.23 |
|
|
|
| 8 |
E |
114 |
108 |
37.23 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8868.0 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 8427.3 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.