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 |
3134 |
2985 |
46.53 |
|
|
|
| 2 |
A |
3104 |
2956 |
29.72 |
|
|
|
| 3 |
A |
3016 |
2872 |
7.04 |
|
|
|
| 4 |
A |
1530 |
1457 |
6.05 |
|
|
|
| 5 |
A |
1416 |
1349 |
12.21 |
|
|
|
| 6 |
A |
1401 |
1335 |
8.01 |
|
|
|
| 7 |
A |
1139 |
1085 |
12.08 |
|
|
|
| 8 |
A |
976 |
930 |
1.65 |
|
|
|
| 9 |
A |
826 |
787 |
42.18 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8270.7 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 7877.9 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.