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 |
3846 |
3612 |
13.80 |
|
|
|
| 2 |
A1 |
1843 |
1731 |
552.66 |
|
|
|
| 3 |
A1 |
1295 |
1216 |
31.00 |
|
|
|
| 4 |
A1 |
988 |
928 |
22.37 |
|
|
|
| 5 |
A1 |
546 |
513 |
5.38 |
|
|
|
| 6 |
A2 |
524 |
492 |
0.00 |
|
|
|
| 7 |
B1 |
785 |
738 |
53.71 |
|
|
|
| 8 |
B1 |
610 |
573 |
249.52 |
|
|
|
| 9 |
B2 |
3845 |
3611 |
208.28 |
|
|
|
| 10 |
B2 |
1475 |
1386 |
171.68 |
|
|
|
| 11 |
B2 |
1174 |
1103 |
441.77 |
|
|
|
| 12 |
B2 |
596 |
560 |
50.55 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8763.6 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 8230.8 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.