Vibrational Frequencies calculated at CID/cc-pVTZ
| 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 |
3576 |
3313 |
0.00 |
|
|
|
| 2 |
Ag |
2349 |
2176 |
0.00 |
|
|
|
| 3 |
Ag |
1227 |
1137 |
0.00 |
|
|
|
| 4 |
Ag |
972 |
900 |
0.00 |
|
|
|
| 5 |
Ag |
298 |
276 |
0.00 |
|
|
|
| 6 |
Au |
1013 |
939 |
133.78 |
|
|
|
| 7 |
Au |
265 |
245 |
0.38 |
|
|
|
| 8 |
Bg |
674 |
625 |
0.00 |
|
|
|
| 9 |
Bu |
3577 |
3314 |
31.17 |
|
|
|
| 10 |
Bu |
1828 |
1694 |
215.27 |
|
|
|
| 11 |
Bu |
1217 |
1128 |
354.14 |
|
|
|
| 12 |
Bu |
305 |
283 |
9.83 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8650.5 cm
-1
Scaled (by 0.9265) Zero Point Vibrational Energy (zpe) 8014.7 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.