Vibrational Frequencies calculated at MP3=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 |
Ag |
3263 |
3039 |
0.00 |
|
|
|
| 2 |
Ag |
1742 |
1622 |
0.00 |
|
|
|
| 3 |
Ag |
1416 |
1319 |
0.00 |
|
|
|
| 4 |
Au |
1068 |
995 |
0.00 |
|
|
|
| 5 |
B1u |
3245 |
3023 |
15.06 |
|
|
|
| 6 |
B1u |
1526 |
1422 |
5.61 |
|
|
|
| 7 |
B2g |
925 |
862 |
0.00 |
|
|
|
| 8 |
B2u |
3356 |
3127 |
26.76 |
|
|
|
| 9 |
B2u |
851 |
793 |
0.34 |
|
|
|
| 10 |
B3g |
3332 |
3104 |
0.00 |
|
|
|
| 11 |
B3g |
1272 |
1185 |
0.00 |
|
|
|
| 12 |
B3u |
986 |
919 |
116.49 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11490.2 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 10704.3 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.