Vibrational Frequencies calculated at QCISD/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 |
3384 |
3384 |
0.00 |
|
|
|
| 2 |
Ag |
1806 |
1806 |
0.00 |
|
|
|
| 3 |
Ag |
1364 |
1364 |
0.00 |
|
|
|
| 4 |
Ag |
1187 |
1187 |
0.00 |
|
|
|
| 5 |
Ag |
537 |
537 |
0.00 |
|
|
|
| 6 |
Au |
981 |
981 |
13.19 |
|
|
|
| 7 |
Au |
309 |
309 |
1.86 |
|
|
|
| 8 |
Bg |
749 |
749 |
0.00 |
|
|
|
| 9 |
Bu |
3374 |
3374 |
8.62 |
|
|
|
| 10 |
Bu |
1395 |
1395 |
26.03 |
|
|
|
| 11 |
Bu |
1229 |
1229 |
14.78 |
|
|
|
| 12 |
Bu |
303 |
303 |
4.13 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8308.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8308.8 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.