Vibrational Frequencies calculated at MP2/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 |
3471 |
3471 |
0.02 |
|
|
|
| 2 |
A1 |
2232 |
2232 |
2218.94 |
|
|
|
| 3 |
A1 |
1133 |
1133 |
108.95 |
|
|
|
| 4 |
A1 |
195 |
195 |
39.73 |
|
|
|
| 5 |
E |
3626 |
3626 |
19.70 |
|
|
|
| 5 |
E |
3626 |
3626 |
19.70 |
|
|
|
| 6 |
E |
1644 |
1644 |
20.03 |
|
|
|
| 6 |
E |
1644 |
1644 |
20.03 |
|
|
|
| 7 |
E |
838 |
838 |
29.88 |
|
|
|
| 7 |
E |
838 |
838 |
29.88 |
|
|
|
| 8 |
E |
237 |
237 |
14.44 |
|
|
|
| 8 |
E |
237 |
237 |
14.44 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9859.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9859.6 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.