Vibrational Frequencies calculated at MP2/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' |
1968 |
1874 |
157.28 |
|
|
|
| 2 |
A' |
1327 |
1264 |
248.19 |
|
|
|
| 3 |
A' |
784 |
747 |
222.35 |
|
|
|
| 4 |
A' |
733 |
699 |
0.91 |
|
|
|
| 5 |
A' |
478 |
456 |
171.18 |
|
|
|
| 6 |
A' |
370 |
352 |
68.37 |
|
|
|
| 7 |
A' |
210 |
200 |
0.91 |
|
|
|
| 8 |
A" |
715 |
681 |
10.84 |
|
|
|
| 9 |
A" |
113 |
108 |
0.85 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3348.9 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 3189.8 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.