Vibrational Frequencies calculated at MP2=FULL/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 |
2980 |
2799 |
260.62 |
|
|
|
| 2 |
A1 |
1521 |
1428 |
53.62 |
|
|
|
| 3 |
A1 |
1197 |
1124 |
271.15 |
|
|
|
| 4 |
A1 |
472 |
443 |
35.48 |
|
|
|
| 5 |
E |
3029 |
2845 |
144.95 |
|
|
|
| 5 |
E |
3029 |
2845 |
144.95 |
|
|
|
| 6 |
E |
1550 |
1455 |
0.68 |
|
|
|
| 6 |
E |
1550 |
1455 |
0.68 |
|
|
|
| 7 |
E |
1206 |
1133 |
0.01 |
|
|
|
| 7 |
E |
1206 |
1133 |
0.01 |
|
|
|
| 8 |
E |
164 |
154 |
55.45 |
|
|
|
| 8 |
E |
164 |
154 |
55.45 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9033.7 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 8484.5 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.