Vibrational Frequencies calculated at MP2/6-31+G**
| 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 |
2976 |
2799 |
262.70 |
|
|
|
| 2 |
A1 |
1517 |
1427 |
55.10 |
|
|
|
| 3 |
A1 |
1189 |
1118 |
274.36 |
|
|
|
| 4 |
A1 |
451 |
424 |
39.97 |
|
|
|
| 5 |
E |
3023 |
2843 |
147.05 |
|
|
|
| 5 |
E |
3023 |
2843 |
147.05 |
|
|
|
| 6 |
E |
1544 |
1452 |
0.77 |
|
|
|
| 6 |
E |
1544 |
1452 |
0.77 |
|
|
|
| 7 |
E |
1203 |
1131 |
0.02 |
|
|
|
| 7 |
E |
1203 |
1131 |
0.02 |
|
|
|
| 8 |
E |
122 |
114 |
54.80 |
|
|
|
| 8 |
E |
122 |
114 |
54.80 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8957.2 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 8425.2 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.