Vibrational Frequencies calculated at MP3/6-311G*
| 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 |
3190 |
3190 |
0.00 |
|
|
|
| 2 |
Ag |
1715 |
1715 |
0.00 |
|
|
|
| 3 |
Ag |
1396 |
1396 |
0.00 |
|
|
|
| 4 |
Au |
1066 |
1066 |
0.00 |
|
|
|
| 5 |
B1u |
3173 |
3173 |
14.27 |
|
|
|
| 6 |
B1u |
1498 |
1498 |
9.95 |
|
|
|
| 7 |
B2g |
923 |
923 |
0.00 |
|
|
|
| 8 |
B2u |
3280 |
3280 |
28.48 |
|
|
|
| 9 |
B2u |
846 |
846 |
0.83 |
|
|
|
| 10 |
B3g |
3255 |
3255 |
0.00 |
|
|
|
| 11 |
B3g |
1259 |
1259 |
0.00 |
|
|
|
| 12 |
B3u |
971 |
971 |
113.32 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11285.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11285.7 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.