Vibrational Frequencies calculated at MP4=FULL/6-311G**
| 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 |
3166 |
3044 |
|
|
|
|
| 2 |
Ag |
1664 |
1600 |
|
|
|
|
| 3 |
Ag |
1368 |
1315 |
|
|
|
|
| 4 |
Au |
1049 |
1009 |
|
|
|
|
| 5 |
B1u |
3148 |
3027 |
|
|
|
|
| 6 |
B1u |
1473 |
1417 |
|
|
|
|
| 7 |
B2g |
894 |
860 |
|
|
|
|
| 8 |
B2u |
3258 |
3133 |
|
|
|
|
| 9 |
B2u |
820 |
789 |
|
|
|
|
| 10 |
B3g |
3232 |
3107 |
|
|
|
|
| 11 |
B3g |
1229 |
1181 |
|
|
|
|
| 12 |
B3u |
954 |
917 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11127.6 cm
-1
Scaled (by 0.9615) Zero Point Vibrational Energy (zpe) 10699.2 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.