Vibrational Frequencies calculated at MP4/6-311G**
| 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 |
3160 |
3065 |
|
|
|
|
| 2 |
Ag |
1662 |
1612 |
|
|
|
|
| 3 |
Ag |
1367 |
1325 |
|
|
|
|
| 4 |
Au |
1048 |
1017 |
|
|
|
|
| 5 |
B1u |
3142 |
3047 |
|
|
|
|
| 6 |
B1u |
1474 |
1429 |
|
|
|
|
| 7 |
B2g |
892 |
865 |
|
|
|
|
| 8 |
B2u |
3253 |
3154 |
|
|
|
|
| 9 |
B2u |
820 |
795 |
|
|
|
|
| 10 |
B3g |
3226 |
3129 |
|
|
|
|
| 11 |
B3g |
1229 |
1192 |
|
|
|
|
| 12 |
B3u |
954 |
925 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11113.6 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 10776.9 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.