Vibrational Frequencies calculated at MP2/6-311+G(3df,2pd)
| 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 |
3191 |
3031 |
0.00 |
|
|
|
| 2 |
Ag |
1680 |
1596 |
0.00 |
|
|
|
| 3 |
Ag |
1382 |
1313 |
0.00 |
|
|
|
| 4 |
Au |
1073 |
1019 |
0.00 |
|
|
|
| 5 |
B1u |
3173 |
3015 |
9.09 |
|
|
|
| 6 |
B1u |
1482 |
1408 |
9.30 |
|
|
|
| 7 |
B2g |
960 |
912 |
0.00 |
|
|
|
| 8 |
B2u |
3291 |
3127 |
12.38 |
|
|
|
| 9 |
B2u |
830 |
788 |
0.02 |
|
|
|
| 10 |
B3g |
3266 |
3102 |
0.00 |
|
|
|
| 11 |
B3g |
1248 |
1185 |
0.00 |
|
|
|
| 12 |
B3u |
978 |
930 |
92.68 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11277.1 cm
-1
Scaled (by 0.95) Zero Point Vibrational Energy (zpe) 10713.2 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.