Vibrational Frequencies calculated at MP3/6-31+G**
| 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 |
3240 |
3015 |
6.30 |
|
|
|
| 2 |
A1 |
2908 |
2706 |
22.37 |
|
|
|
| 3 |
A1 |
1538 |
1431 |
47.08 |
|
|
|
| 4 |
A1 |
1321 |
1229 |
1.44 |
|
|
|
| 5 |
B1 |
743 |
692 |
105.57 |
|
|
|
| 6 |
B1 |
559 |
520 |
0.27 |
|
|
|
| 7 |
B2 |
3320 |
3089 |
0.30 |
|
|
|
| 8 |
B2 |
934 |
869 |
53.87 |
|
|
|
| 9 |
B2 |
436 |
406 |
1.50 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7499.0 cm
-1
Scaled (by 0.9305) Zero Point Vibrational Energy (zpe) 6977.8 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.