Vibrational Frequencies calculated at QCISD/aug-cc-pCVTZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
3097 |
3097 |
38.20 |
|
|
|
| 2 |
A1 |
1567 |
1567 |
0.48 |
|
|
|
| 3 |
A1 |
1142 |
1142 |
99.59 |
|
|
|
| 4 |
A1 |
537 |
537 |
5.37 |
|
|
|
| 5 |
A2 |
1294 |
1294 |
0.00 |
|
|
|
| 6 |
B1 |
3170 |
3170 |
27.47 |
|
|
|
| 7 |
B1 |
1205 |
1205 |
17.51 |
|
|
|
| 8 |
B2 |
1482 |
1482 |
15.95 |
|
|
|
| 9 |
B2 |
1134 |
1134 |
246.37 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7314.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7314.1 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.