Vibrational Frequencies calculated at QCISD/STO-3G
| 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 |
3380 |
3380 |
0.00 |
|
|
|
| 2 |
Ag |
1777 |
1777 |
0.00 |
|
|
|
| 3 |
Ag |
1442 |
1442 |
0.00 |
|
|
|
| 4 |
Au |
1109 |
1109 |
0.00 |
|
|
|
| 5 |
B1u |
3354 |
3354 |
4.24 |
|
|
|
| 6 |
B1u |
1599 |
1599 |
0.00 |
|
|
|
| 7 |
B2g |
952 |
952 |
0.00 |
|
|
|
| 8 |
B2u |
3513 |
3513 |
1.41 |
|
|
|
| 9 |
B2u |
865 |
865 |
0.18 |
|
|
|
| 10 |
B3g |
3500 |
3500 |
0.00 |
|
|
|
| 11 |
B3g |
1328 |
1328 |
0.00 |
|
|
|
| 12 |
B3u |
991 |
991 |
19.14 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11904.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11904.8 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.