Vibrational Frequencies calculated at MP4=FULL/cc-pVDZ
| 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 |
3178 |
3067 |
|
|
|
|
| 2 |
Ag |
1674 |
1616 |
|
|
|
|
| 3 |
Ag |
1362 |
1314 |
|
|
|
|
| 4 |
Au |
1043 |
1007 |
|
|
|
|
| 5 |
B1u |
3158 |
3048 |
|
|
|
|
| 6 |
B1u |
1463 |
1412 |
|
|
|
|
| 7 |
B2g |
916 |
884 |
|
|
|
|
| 8 |
B2u |
3276 |
3162 |
|
|
|
|
| 9 |
B2u |
819 |
790 |
|
|
|
|
| 10 |
B3g |
3250 |
3137 |
|
|
|
|
| 11 |
B3g |
1229 |
1186 |
|
|
|
|
| 12 |
B3u |
957 |
924 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11163.0 cm
-1
Scaled (by 0.9651) Zero Point Vibrational Energy (zpe) 10773.4 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.