Vibrational Frequencies calculated at MP2=FULL/6-311G*
| 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 |
3879 |
3673 |
44.16 |
|
|
|
| 2 |
A |
3331 |
3155 |
18.35 |
|
|
|
| 3 |
A |
3175 |
3007 |
27.84 |
|
|
|
| 4 |
A |
1537 |
1455 |
8.95 |
|
|
|
| 5 |
A |
1410 |
1335 |
37.14 |
|
|
|
| 6 |
A |
1238 |
1172 |
109.32 |
|
|
|
| 7 |
A |
1104 |
1045 |
51.78 |
|
|
|
| 8 |
A |
742 |
703 |
64.83 |
|
|
|
| 9 |
A |
485 |
459 |
116.94 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8449.4 cm
-1
Scaled (by 0.9471) Zero Point Vibrational Energy (zpe) 8002.4 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.