Vibrational Frequencies calculated at CID/daug-cc-pVDZ
| 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 |
3242 |
3242 |
23.07 |
|
|
|
| 2 |
A1 |
1870 |
1870 |
439.94 |
|
|
|
| 3 |
A1 |
1425 |
1425 |
0.37 |
|
|
|
| 4 |
A1 |
884 |
884 |
19.21 |
|
|
|
| 5 |
B1 |
779 |
779 |
75.20 |
|
|
|
| 6 |
B1 |
410 |
410 |
5.75 |
|
|
|
| 7 |
B2 |
3344 |
3344 |
2.34 |
|
|
|
| 8 |
B2 |
961 |
961 |
1.21 |
|
|
|
| 9 |
B2 |
356 |
356 |
1.96 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6635.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6635.1 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.