Vibrational Frequencies calculated at QCISD/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 |
3169 |
3169 |
0.00 |
|
|
|
| 2 |
Ag |
1694 |
1694 |
0.00 |
|
|
|
| 3 |
Ag |
1384 |
1384 |
0.00 |
|
|
|
| 4 |
Au |
1061 |
1061 |
0.00 |
|
|
|
| 5 |
B1u |
3150 |
3150 |
12.60 |
|
|
|
| 6 |
B1u |
1489 |
1489 |
8.93 |
|
|
|
| 7 |
B2g |
967 |
967 |
0.00 |
|
|
|
| 8 |
B2u |
3259 |
3259 |
18.06 |
|
|
|
| 9 |
B2u |
834 |
834 |
0.00 |
|
|
|
| 10 |
B3g |
3233 |
3233 |
0.00 |
|
|
|
| 11 |
B3g |
1255 |
1255 |
0.00 |
|
|
|
| 12 |
B3u |
980 |
980 |
92.24 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11237.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11237.0 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.