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' |
3293 |
3137 |
7.80 |
|
|
|
| 2 |
A' |
3266 |
3111 |
4.50 |
|
|
|
| 3 |
A' |
1733 |
1650 |
59.17 |
|
|
|
| 4 |
A' |
1369 |
1304 |
24.60 |
|
|
|
| 5 |
A' |
1266 |
1206 |
34.49 |
|
|
|
| 6 |
A' |
1091 |
1039 |
78.71 |
|
|
|
| 7 |
A' |
830 |
791 |
17.07 |
|
|
|
| 8 |
A' |
670 |
639 |
19.66 |
|
|
|
| 9 |
A' |
195 |
186 |
1.34 |
|
|
|
| 10 |
A" |
886 |
844 |
0.18 |
|
|
|
| 11 |
A" |
763 |
727 |
36.97 |
|
|
|
| 12 |
A" |
458 |
436 |
8.53 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7910.2 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 7534.4 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.