Vibrational Frequencies calculated at MP4/daug-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 |
3161 |
3161 |
|
|
|
|
| 2 |
Ag |
1661 |
1661 |
|
|
|
|
| 3 |
Ag |
1367 |
1367 |
|
|
|
|
| 4 |
Au |
1059 |
1059 |
|
|
|
|
| 5 |
B1u |
3137 |
3137 |
|
|
|
|
| 6 |
B1u |
1476 |
1476 |
|
|
|
|
| 7 |
B2g |
941 |
941 |
|
|
|
|
| 8 |
B2u |
3246 |
3246 |
|
|
|
|
| 9 |
B2u |
830 |
830 |
|
|
|
|
| 10 |
B3g |
3221 |
3221 |
|
|
|
|
| 11 |
B3g |
1247 |
1247 |
|
|
|
|
| 12 |
B3u |
961 |
961 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11153.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11153.0 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.