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 |
3351 |
3147 |
4.52 |
|
|
|
| 2 |
A1 |
1784 |
1675 |
55.39 |
|
|
|
| 3 |
A1 |
1299 |
1220 |
33.65 |
|
|
|
| 4 |
A1 |
1024 |
961 |
71.17 |
|
|
|
| 5 |
A1 |
234 |
220 |
2.24 |
|
|
|
| 6 |
A2 |
836 |
785 |
0.00 |
|
|
|
| 7 |
A2 |
499 |
468 |
0.00 |
|
|
|
| 8 |
B1 |
785 |
737 |
52.80 |
|
|
|
| 9 |
B2 |
3328 |
3125 |
6.60 |
|
|
|
| 10 |
B2 |
1417 |
1331 |
30.76 |
|
|
|
| 11 |
B2 |
1145 |
1076 |
116.57 |
|
|
|
| 12 |
B2 |
765 |
718 |
30.70 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8231.5 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 7731.1 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.