Vibrational Frequencies calculated at MP3/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 |
3489 |
3296 |
0.00 |
|
|
|
| 2 |
Ag |
2194 |
2073 |
0.00 |
|
|
|
| 3 |
Ag |
1204 |
1138 |
0.00 |
|
|
|
| 4 |
Ag |
942 |
890 |
0.00 |
|
|
|
| 5 |
Ag |
287 |
271 |
0.00 |
|
|
|
| 6 |
Au |
980 |
926 |
122.61 |
|
|
|
| 7 |
Au |
251 |
237 |
0.07 |
|
|
|
| 8 |
Bg |
669 |
632 |
0.00 |
|
|
|
| 9 |
Bu |
3490 |
3297 |
19.27 |
|
|
|
| 10 |
Bu |
1770 |
1672 |
143.04 |
|
|
|
| 11 |
Bu |
1180 |
1115 |
371.82 |
|
|
|
| 12 |
Bu |
291 |
275 |
5.80 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8374.0 cm
-1
Scaled (by 0.9447) Zero Point Vibrational Energy (zpe) 7910.9 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.