Vibrational Frequencies calculated at MP2=FULL/STO-3G
| 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 |
3485 |
3098 |
0.00 |
|
|
|
| 2 |
Ag |
1849 |
1644 |
0.00 |
|
|
|
| 3 |
Ag |
1393 |
1238 |
0.00 |
|
|
|
| 4 |
Ag |
1240 |
1102 |
0.00 |
|
|
|
| 5 |
Ag |
561 |
498 |
0.00 |
|
|
|
| 6 |
Au |
1029 |
915 |
17.29 |
|
|
|
| 7 |
Au |
330 |
293 |
1.95 |
|
|
|
| 8 |
Bg |
781 |
694 |
0.00 |
|
|
|
| 9 |
Bu |
3474 |
3088 |
14.75 |
|
|
|
| 10 |
Bu |
1446 |
1285 |
45.97 |
|
|
|
| 11 |
Bu |
1281 |
1139 |
26.95 |
|
|
|
| 12 |
Bu |
311 |
276 |
4.26 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8589.5 cm
-1
Scaled (by 0.8889) Zero Point Vibrational Energy (zpe) 7635.2 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.