Vibrational Frequencies calculated at MP2=FULL/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 |
3303 |
3136 |
0.00 |
|
|
|
| 2 |
Ag |
1777 |
1687 |
0.00 |
|
|
|
| 3 |
Ag |
1329 |
1262 |
0.00 |
|
|
|
| 4 |
Ag |
1181 |
1121 |
0.00 |
|
|
|
| 5 |
Ag |
563 |
535 |
0.00 |
|
|
|
| 6 |
Au |
937 |
890 |
68.48 |
|
|
|
| 7 |
Au |
348 |
330 |
4.78 |
|
|
|
| 8 |
Bg |
843 |
800 |
0.00 |
|
|
|
| 9 |
Bu |
3291 |
3125 |
12.24 |
|
|
|
| 10 |
Bu |
1323 |
1256 |
25.14 |
|
|
|
| 11 |
Bu |
1210 |
1149 |
272.45 |
|
|
|
| 12 |
Bu |
318 |
302 |
12.27 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8211.2 cm
-1
Scaled (by 0.9494) Zero Point Vibrational Energy (zpe) 7795.7 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.