Vibrational Frequencies calculated at MP2/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 |
A' |
3205 |
3043 |
3.92 |
|
|
|
| 2 |
A' |
3202 |
3040 |
4.70 |
|
|
|
| 3 |
A' |
2058 |
1954 |
417.07 |
|
|
|
| 4 |
A' |
1494 |
1418 |
4.72 |
|
|
|
| 5 |
A' |
1213 |
1151 |
7.63 |
|
|
|
| 6 |
A' |
768 |
729 |
586.02 |
|
|
|
| 7 |
A' |
600 |
569 |
116.15 |
|
|
|
| 8 |
A' |
499 |
474 |
63.08 |
|
|
|
| 9 |
A" |
3329 |
3161 |
0.05 |
|
|
|
| 10 |
A" |
1145 |
1087 |
6.07 |
|
|
|
| 11 |
A" |
964 |
915 |
11.60 |
|
|
|
| 12 |
A" |
385 |
366 |
3.58 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9430.1 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 8953.9 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.