Vibrational Frequencies calculated at MP3/aug-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 |
3196 |
3196 |
0.00 |
|
|
|
| 2 |
Ag |
1708 |
1708 |
0.00 |
|
|
|
| 3 |
Ag |
1390 |
1390 |
0.00 |
|
|
|
| 4 |
Au |
1045 |
1045 |
0.00 |
|
|
|
| 5 |
B1u |
3176 |
3176 |
11.81 |
|
|
|
| 6 |
B1u |
1490 |
1490 |
8.87 |
|
|
|
| 7 |
B2g |
965 |
965 |
0.00 |
|
|
|
| 8 |
B2u |
3284 |
3284 |
16.91 |
|
|
|
| 9 |
B2u |
830 |
830 |
0.00 |
|
|
|
| 10 |
B3g |
3256 |
3256 |
0.00 |
|
|
|
| 11 |
B3g |
1257 |
1257 |
0.00 |
|
|
|
| 12 |
B3u |
985 |
985 |
93.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11291.2 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11291.2 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.