Vibrational Frequencies calculated at MP2/6-31G
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
1783 |
1706 |
265.89 |
|
|
|
| 2 |
A1 |
1020 |
976 |
148.67 |
|
|
|
| 3 |
A1 |
740 |
708 |
99.76 |
|
|
|
| 4 |
A1 |
649 |
621 |
137.95 |
|
|
|
| 5 |
B1 |
683 |
653 |
42.92 |
|
|
|
| 6 |
B1 |
270 |
258 |
90.28 |
|
|
|
| 7 |
B2 |
1080 |
1034 |
291.33 |
|
|
|
| 8 |
B2 |
568 |
544 |
38.42 |
|
|
|
| 9 |
B2 |
492 |
471 |
62.48 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3642.2 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 3484.9 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.