Vibrational Frequencies calculated at MP2/3-21G*
| 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' |
3172 |
3018 |
43.89 |
|
|
|
| 2 |
A' |
1753 |
1667 |
138.15 |
|
|
|
| 3 |
A' |
1480 |
1408 |
1.53 |
|
|
|
| 4 |
A' |
1102 |
1049 |
172.49 |
|
|
|
| 5 |
A' |
658 |
626 |
19.82 |
|
|
|
| 6 |
A" |
1071 |
1019 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4618.0 cm
-1
Scaled (by 0.9513) Zero Point Vibrational Energy (zpe) 4393.2 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.