Vibrational Frequencies calculated at QCISD/daug-cc-pVTZ
| 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 |
3171 |
3171 |
0.00 |
|
|
|
| 2 |
Ag |
1694 |
1694 |
0.00 |
|
|
|
| 3 |
Ag |
1383 |
1383 |
0.00 |
|
|
|
| 4 |
Au |
1059 |
1059 |
0.00 |
|
|
|
| 5 |
B1u |
3152 |
3152 |
13.26 |
|
|
|
| 6 |
B1u |
1489 |
1489 |
8.53 |
|
|
|
| 7 |
B2g |
959 |
959 |
0.00 |
|
|
|
| 8 |
B2u |
3258 |
3258 |
18.43 |
|
|
|
| 9 |
B2u |
829 |
829 |
0.00 |
|
|
|
| 10 |
B3g |
3231 |
3231 |
0.00 |
|
|
|
| 11 |
B3g |
1254 |
1254 |
0.00 |
|
|
|
| 12 |
B3u |
979 |
979 |
90.76 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11229.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11229.1 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.