Vibrational Frequencies calculated at MP2=FULL/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 |
A |
3875 |
3682 |
62.16 |
|
|
|
| 2 |
A |
3332 |
3167 |
18.84 |
|
|
|
| 3 |
A |
3179 |
3021 |
25.76 |
|
|
|
| 4 |
A |
1512 |
1437 |
13.23 |
|
|
|
| 5 |
A |
1390 |
1321 |
25.58 |
|
|
|
| 6 |
A |
1238 |
1177 |
101.10 |
|
|
|
| 7 |
A |
1077 |
1024 |
45.51 |
|
|
|
| 8 |
A |
731 |
694 |
50.15 |
|
|
|
| 9 |
A |
467 |
444 |
90.13 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8400.3 cm
-1
Scaled (by 0.9504) Zero Point Vibrational Energy (zpe) 7983.6 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.